3931 SMILES Strings for Bile acid receptor

Compound Name
SMILES String
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CSC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(2.72,-21.3,;2.72,-19.76,;4.06,-18.99,;5.39,-19.76,;5.39,-21.3,;6.72,-22.07,;8.06,-21.3,;8.06,-19.76,;6.72,-18.99,;9.39,-22.07,;9.39,-23.61,;10.72,-21.3,;12.06,-22.07,;11.29,-23.41,;12.83,-23.41,;13.39,-21.3,;14.93,-21.3,;14.16,-19.97,;1.39,-18.99,;1.39,-17.45,;.05,-16.68,;-1.28,-17.45,;-2.61,-16.68,;-3.95,-17.45,;-5.28,-16.68,;-5.28,-15.14,;-6.75,-14.67,;-7.65,-15.91,;-6.75,-17.16,;-7.14,-18.65,;-8.63,-19.05,;-9.72,-17.96,;-9.03,-20.53,;-7.94,-21.62,;-6.45,-21.22,;-6.05,-19.74,;-4.57,-19.34,;-3.95,-14.37,;-2.41,-14.37,;-3.18,-13.04,;-1.28,-18.99,;.05,-19.82,;.05,-21.36,;.05,-22.9,;1.59,-21.36,;-1.49,-21.36,)|
CN(Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(,-21.3,;,-19.76,;1.33,-18.99,;2.67,-19.76,;2.67,-21.3,;4,-22.07,;5.33,-21.3,;5.33,-19.76,;4,-18.99,;6.67,-22.07,;6.67,-23.61,;8,-21.3,;9.34,-22.07,;8.57,-23.41,;10.11,-23.41,;10.67,-21.3,;12,-22.07,;13.34,-21.3,;13.34,-19.76,;12,-18.99,;10.67,-19.76,;14.67,-18.99,;16,-19.76,;14.67,-17.45,;16,-18.22,;-1.33,-18.99,;-1.33,-17.45,;-2.67,-16.68,;-4,-17.45,;-5.33,-16.68,;-6.67,-17.45,;-8,-16.68,;-8,-15.14,;-9.47,-14.67,;-10.37,-15.91,;-9.47,-17.16,;-9.87,-18.65,;-11.35,-19.05,;-12.44,-17.96,;-11.75,-20.53,;-10.66,-21.62,;-9.17,-21.22,;-8.78,-19.74,;-7.29,-19.34,;-6.67,-14.37,;-5.13,-14.37,;-5.9,-13.04,;-4,-18.99,;-2.67,-19.82,;-2.67,-21.36,;-2.67,-22.9,;-1.13,-21.36,;-4.21,-21.36,)|
CN(C)S(=O)(=O)NC(=O)c1ccc(CN(C)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc2C(F)(F)F)cc1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(9.4,14.4,;9.4,12.86,;10.73,12.09,;8.07,12.09,;7.3,10.75,;8.84,10.75,;6.73,12.86,;5.4,12.09,;5.4,10.55,;4.07,12.86,;4.07,14.4,;2.73,15.17,;1.4,14.4,;.06,15.17,;-1.27,14.4,;-1.27,12.86,;-2.6,15.17,;-2.6,16.71,;-3.94,17.48,;-5.27,16.71,;-6.6,17.48,;-7.94,16.71,;-9.27,17.48,;-9.27,19.02,;-10.74,19.49,;-11.64,18.25,;-10.74,17,;-11.51,15.67,;-12.99,15.27,;-14.08,16.36,;-13.39,13.78,;-12.3,12.69,;-10.82,13.09,;-10.42,14.58,;-8.93,14.98,;-7.94,19.79,;-6.4,19.79,;-7.17,21.12,;-5.27,15.17,;-3.94,14.34,;-3.94,12.8,;-3.94,11.26,;-2.4,12.8,;-5.48,12.8,;1.4,12.86,;2.73,12.09,)|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |r,wU:22.23,wD:24.27,(14.23,18.1,;12.9,17.33,;12.9,15.79,;14.23,16.56,;11.57,18.1,;10.23,17.33,;8.9,18.1,;8.9,19.64,;10.23,20.41,;11.57,19.64,;7.56,20.41,;6.79,21.74,;8.33,21.74,;6.23,19.64,;4.9,20.41,;4.9,21.95,;3.56,19.64,;3.56,18.1,;2.23,17.33,;.9,18.1,;.9,19.64,;2.23,20.41,;-.44,17.33,;-.44,18.87,;-1.77,18.1,;-3.11,17.33,;-3.11,15.79,;-4.44,15.02,;-5.77,15.79,;-7.11,15.02,;-8.44,15.79,;-9.77,15.02,;-11.24,15.49,;-12.14,14.25,;-11.24,13,;-9.77,13.48,;-8.68,12.39,;-8.29,10.9,;-7.2,11.99,;-11.64,16.98,;-13.12,17.38,;-14.21,16.29,;-13.52,18.86,;-12.43,19.95,;-10.95,19.56,;-10.55,18.07,;-9.06,17.67,;-5.77,17.33,;-4.44,18.1,;-4.44,19.64,)|
Clc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1[C@@H]1C[C@H]1c1ccc(cc1)C(=O)NS(=O)(=O)C1CCCCC1 |r,wU:27.32,wD:25.28,(-3.14,22.83,;-3.14,21.29,;-4.47,20.52,;-4.47,18.98,;-5.81,18.21,;-7.14,18.98,;-8.47,18.21,;-8.47,16.67,;-9.94,16.19,;-10.84,17.44,;-9.94,18.68,;-10.34,20.17,;-11.83,20.57,;-12.91,19.48,;-12.22,22.06,;-11.14,23.15,;-9.65,22.75,;-9.25,21.26,;-7.76,20.86,;-7.39,15.58,;-6.99,14.09,;-5.9,15.18,;-3.14,18.21,;-1.81,18.98,;-1.81,20.52,;-.47,21.29,;.86,22.06,;.86,20.52,;2.2,21.29,;3.53,20.52,;4.86,21.29,;4.86,22.83,;3.53,23.6,;2.2,22.83,;6.2,23.6,;6.2,25.14,;7.53,22.83,;8.86,23.6,;8.09,24.93,;9.63,24.93,;10.2,22.83,;10.2,21.29,;11.53,20.52,;12.87,21.29,;12.87,22.83,;11.53,23.6,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@@H]2C[C@H]2c2ccc(cc2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1 |r,wU:24.28,wD:22.24,(-12.48,18.35,;-11.39,19.44,;-11.79,20.93,;-10.7,22.01,;-9.21,21.62,;-8.81,20.13,;-7.33,19.73,;-9.9,19.04,;-9.5,17.55,;-10.41,16.31,;-9.5,15.06,;-8.04,15.54,;-6.95,14.45,;-6.55,12.96,;-5.46,14.05,;-8.04,17.08,;-6.71,17.85,;-5.37,17.08,;-4.04,17.85,;-2.71,17.08,;-1.37,17.85,;-1.37,19.39,;-.04,20.16,;1.3,20.93,;1.3,19.39,;2.63,20.16,;3.96,19.39,;5.3,20.16,;5.3,21.7,;3.96,22.47,;2.63,21.7,;6.63,22.47,;6.63,24.01,;7.96,21.7,;9.3,22.47,;8.53,23.8,;10.07,23.8,;10.63,21.7,;12.17,21.7,;11.4,20.36,;-2.71,20.16,;-2.71,21.7,;-4.04,19.39,)|
CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |r,wU:23.24,wD:25.28,$;;;;;;;;;;;;;HN;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(14.88,-14.35,;13.55,-13.58,;13.55,-12.04,;14.88,-12.81,;12.21,-14.35,;12.21,-15.89,;10.88,-16.66,;9.55,-15.89,;9.55,-14.35,;10.88,-13.58,;8.21,-16.66,;7.44,-18,;8.98,-18,;6.88,-15.89,;5.54,-16.66,;5.54,-18.2,;4.21,-15.89,;2.88,-16.66,;2.88,-18.2,;1.54,-18.97,;.21,-18.2,;.21,-16.66,;1.54,-15.89,;-1.12,-18.97,;-1.12,-17.43,;-2.46,-18.2,;-3.79,-18.97,;-3.79,-20.51,;-5.12,-21.28,;-6.46,-20.51,;-7.79,-21.28,;-9.13,-20.51,;-10.46,-21.28,;-11.92,-20.81,;-12.83,-22.05,;-11.92,-23.3,;-10.46,-22.82,;-9.37,-23.91,;-8.97,-25.4,;-7.88,-24.31,;-12.32,-19.32,;-13.81,-18.92,;-14.9,-20.01,;-14.21,-17.43,;-13.12,-16.35,;-11.63,-16.74,;-11.23,-18.23,;-9.75,-18.63,;-6.46,-18.97,;-5.12,-18.2,;-5.12,-16.66,)|
CN(C)S(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:15.15,wD:17.19,(12.7,12.94,;11.16,12.94,;11.16,11.4,;9.82,13.71,;9.05,15.05,;10.59,15.05,;8.49,12.94,;7.15,13.71,;7.15,15.25,;5.82,12.94,;5.42,11.46,;3.94,11.06,;2.85,12.15,;3.24,13.64,;4.73,14.03,;1.36,11.75,;1.76,13.24,;.27,12.84,;-1.22,12.44,;-1.62,10.95,;-3.1,10.55,;-4.19,11.64,;-5.68,11.24,;-7.17,11.64,;-8.26,10.55,;-8.26,9.01,;-9.72,8.54,;-10.63,9.78,;-9.72,11.03,;-10.12,12.52,;-11.61,12.92,;-12.7,11.83,;-12.01,14.4,;-10.92,15.49,;-9.43,15.09,;-9.03,13.61,;-7.54,13.21,;-7.17,7.92,;-6.77,6.44,;-5.68,7.53,;-3.79,13.13,;-2.31,13.53,;-1.91,15.02,)|
CN(C)S(=O)(=O)NC(=O)Nc1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:16.16,wD:18.20,$;;;;;;HN;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,(11.7,-10.84,;11.7,-12.38,;13.04,-13.15,;10.37,-13.15,;9.6,-14.48,;11.14,-14.48,;9.04,-12.38,;7.7,-13.15,;7.7,-14.69,;6.37,-12.38,;5.03,-13.15,;5.03,-14.69,;3.7,-15.46,;2.37,-14.69,;2.37,-13.15,;3.7,-12.38,;1.03,-15.46,;1.03,-13.92,;-.3,-14.69,;-1.63,-15.46,;-1.63,-17,;-2.97,-17.77,;-4.3,-17,;-5.63,-17.77,;-6.97,-17,;-8.3,-17.77,;-8.3,-19.31,;-9.77,-19.78,;-10.67,-18.54,;-9.77,-17.29,;-10.17,-15.8,;-11.65,-15.41,;-12.74,-16.49,;-12.05,-13.92,;-10.96,-12.83,;-9.48,-13.23,;-9.08,-14.72,;-7.59,-15.11,;-7.21,-20.4,;-6.81,-21.88,;-5.73,-20.8,;-4.3,-15.46,;-2.97,-14.69,;-2.97,-13.15,)|
CN(C)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1C[C@@H](C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:22.24,wD:24.29,TLB:14:18:21.20:25.23.24,THB:26:24:21.20:18,(12.16,-.98,;12.16,.56,;13.7,.56,;10.82,1.33,;11.59,2.66,;10.05,2.66,;9.49,.56,;8.16,1.33,;8.16,2.87,;6.82,.56,;6.82,-.98,;5.49,-1.75,;4.15,-.98,;2.69,-1.46,;1.78,-.21,;2.69,1.04,;4.15,.56,;5.49,1.33,;.24,-.21,;-1.46,-.37,;-1.37,-1.9,;-2.3,-3.12,;-2.45,-1.59,;-3.61,-.57,;-5.26,.2,;-2.65,.61,;-6.59,-.57,;-7.92,.2,;-9.26,-.57,;-9.26,-2.11,;-10.72,-2.59,;-11.63,-1.34,;-10.72,-.09,;-11.12,1.39,;-10.03,2.48,;-8.54,2.08,;-10.43,3.97,;-11.92,4.37,;-13.01,3.28,;-12.61,1.79,;-13.7,.7,;-7.92,-2.88,;-7.52,-4.37,;-6.44,-3.28,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2c1nc2ccc(cc2s1)C(=O)NS(=O)(=O)C1CC1 |r,wU:23.28,TLB:17:18:22.21:25,26:25:22.21:19.24.18,(-13.69,.86,;-12.6,1.95,;-13,3.44,;-11.91,4.53,;-10.42,4.13,;-10.02,2.64,;-8.54,2.24,;-11.11,1.55,;-10.71,.06,;-11.62,-1.18,;-10.71,-2.43,;-9.25,-1.95,;-8.16,-3.04,;-7.76,-4.53,;-6.67,-3.44,;-9.25,-.41,;-7.92,.36,;-6.58,-.41,;-5.25,.36,;-2.61,.62,;-1.48,-.43,;-1.47,-1.97,;-2.48,-3.13,;-2.54,-1.6,;-3.63,-.5,;.24,-.37,;1.78,-.37,;2.68,-1.61,;4.15,-1.14,;5.48,-1.91,;6.81,-1.14,;6.81,.4,;5.48,1.17,;4.15,.4,;2.68,.88,;8.15,1.17,;8.15,2.71,;9.48,.4,;10.81,1.17,;10.04,2.51,;11.58,2.51,;12.15,.4,;12.92,-.93,;13.69,.4,)|
CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:29.32,TLB:21:25:28.27:32.30.31,THB:33:31:28.27:25,(15.59,-1.14,;14.25,-1.91,;14.25,-3.45,;15.59,-2.68,;12.92,-1.14,;11.58,-1.91,;10.25,-1.14,;10.25,.4,;11.58,1.17,;12.92,.4,;8.92,1.17,;8.15,2.51,;9.69,2.51,;7.58,.4,;6.25,1.17,;6.25,2.71,;4.92,.4,;4.92,-1.14,;3.58,-1.91,;2.25,-1.14,;.78,-1.61,;-.12,-.37,;.78,.88,;2.25,.4,;3.58,1.17,;-1.66,-.37,;-3.38,-.43,;-3.37,-1.97,;-4.38,-3.13,;-4.44,-1.6,;-5.53,-.5,;-7.15,.36,;-4.51,.62,;-8.48,-.41,;-9.81,.36,;-11.15,-.41,;-11.15,-1.95,;-12.61,-2.43,;-13.52,-1.18,;-12.61,.06,;-13.01,1.55,;-14.5,1.95,;-15.59,.86,;-14.9,3.44,;-13.81,4.53,;-12.32,4.13,;-11.92,2.64,;-10.43,2.24,;-10.06,-3.04,;-9.66,-4.53,;-8.57,-3.44,)|
CN(C)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |r,wU:17.17,TLB:12:13:16.15:20.18.19,THB:21:19:16.15:13,(12.65,-2.15,;11.11,-2.15,;11.11,-3.69,;10.02,-1.06,;10.02,.48,;11.35,-.29,;8.53,-1.46,;7.44,-.37,;8.21,.97,;5.9,-.37,;5.13,.97,;3.59,.97,;2.82,-.37,;1.28,-.37,;-.44,-.43,;-.43,-1.97,;-1.44,-3.13,;-1.5,-1.6,;-2.58,-.5,;-4.2,.36,;-1.57,.62,;-5.54,-.41,;-6.87,.36,;-8.21,-.41,;-8.21,-1.95,;-9.67,-2.43,;-10.58,-1.18,;-9.67,.06,;-10.07,1.55,;-11.56,1.95,;-12.65,.86,;-11.95,3.44,;-10.87,4.53,;-9.38,4.13,;-8.98,2.64,;-7.49,2.24,;-7.12,-3.04,;-6.72,-4.53,;-5.63,-3.44,;3.59,-1.7,;2.82,-3.03,;5.13,-1.7,)|
CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |r,wU:24.25,TLB:19:20:23.22:27.25.26,THB:28:26:23.22:20,(14.25,-3.83,;12.76,-4.23,;12.37,-5.71,;13.85,-5.32,;11.68,-3.14,;10.19,-3.54,;9.1,-2.45,;9.5,-.96,;10.99,-.56,;12.07,-1.65,;8.41,.13,;8.41,1.67,;9.74,.9,;6.92,-.27,;5.83,.82,;6.6,2.15,;4.29,.82,;3.52,2.15,;1.98,2.15,;1.21,.82,;-.33,.82,;-2.04,.76,;-2.04,-.78,;-3.04,-1.95,;-3.11,-.41,;-4.19,.69,;-5.81,1.55,;-3.17,1.8,;-7.15,.78,;-8.48,1.55,;-9.81,.78,;-9.81,-.76,;-11.28,-1.24,;-12.18,.01,;-11.28,1.25,;-11.68,2.74,;-13.16,3.14,;-14.25,2.05,;-13.56,4.62,;-12.47,5.71,;-10.99,5.32,;-10.59,3.83,;-9.1,3.43,;-8.72,-1.85,;-8.33,-3.34,;-7.24,-2.25,;1.98,-.51,;1.21,-1.85,;3.52,-.51,)|
Fc1cc(ccc1N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |r,wU:11.12,TLB:6:7:10.9:14.12.13,THB:15:13:10.9:7,(2.85,-3.03,;3.62,-1.7,;5.16,-1.7,;5.93,-.37,;5.16,.97,;3.62,.97,;2.85,-.37,;1.31,-.37,;-.41,-.43,;-.4,-1.97,;-1.41,-3.13,;-1.47,-1.6,;-2.56,-.5,;-4.18,.36,;-1.54,.62,;-5.51,-.41,;-6.85,.36,;-8.18,-.41,;-8.18,-1.95,;-9.64,-2.43,;-10.55,-1.18,;-9.64,.06,;-10.04,1.55,;-11.53,1.95,;-12.62,.86,;-11.93,3.44,;-10.84,4.53,;-9.35,4.13,;-8.95,2.64,;-7.47,2.24,;-7.09,-3.04,;-6.69,-4.53,;-5.6,-3.44,;7.47,-.37,;8.24,.97,;8.56,-1.46,;10.04,-1.06,;10.04,.48,;11.38,-.29,;11.13,-2.15,;11.53,-3.63,;12.62,-2.54,)|
OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
OC(=O)c1ccc2Oc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3CCc2c1 |(-8.85,-4.33,;-8.51,-2.83,;-9.63,-1.78,;-7.03,-2.38,;-6.69,-.88,;-5.22,-.42,;-4.09,-1.47,;-2.7,-.8,;-1.32,-1.47,;-.19,-.42,;1.28,-.88,;2.41,.17,;3.89,-.28,;5.01,.76,;4.54,2.23,;5.78,3.13,;7.03,2.23,;6.55,.76,;7.32,-.57,;8.86,-.57,;9.63,.76,;9.63,-1.9,;8.86,-3.24,;7.32,-3.24,;6.55,-1.9,;5.01,-1.9,;3.2,3,;2.43,4.33,;1.66,3,;1.63,-2.38,;.5,-3.43,;-.97,-2.97,;-1.93,-4.18,;-3.47,-4.18,;-4.43,-2.97,;-5.9,-3.43,)|
CC(C)c1cnn(c1COc1ccc2Oc3cc(ccc3CCc2n1)C(O)=O)-c1c(Cl)cccc1Cl |(6.01,-4.83,;5.24,-3.49,;3.7,-3.49,;6.01,-2.16,;7.55,-2.16,;8.03,-.7,;6.78,.21,;5.54,-.7,;4.07,-.24,;2.94,-1.29,;1.47,-.84,;1.12,.67,;-.35,1.12,;-1.48,.07,;-2.86,.74,;-4.25,.07,;-5.38,1.12,;-6.85,.67,;-7.19,-.84,;-6.07,-1.88,;-4.59,-1.43,;-3.63,-2.63,;-2.09,-2.63,;-1.13,-1.43,;.34,-1.88,;-7.98,1.71,;-9.45,1.26,;-7.64,3.21,;6.78,1.75,;5.45,2.52,;4.12,1.75,;5.45,4.06,;6.78,4.83,;8.12,4.06,;8.12,2.52,;9.45,1.75,)|
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
CS(=O)(=O)NC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-10.58,3.46,;-9.45,2.41,;-8.4,3.54,;-10.5,1.28,;-8.32,1.36,;-6.85,1.82,;-6.51,3.32,;-5.72,.77,;-6.07,-.73,;-4.94,-1.78,;-3.47,-1.33,;-2.5,-2.53,;-.96,-2.53,;-0,-1.33,;1.47,-1.78,;2.6,-.73,;4.07,-1.19,;5.2,-.14,;6.67,-.59,;7.14,-2.06,;8.68,-2.06,;9.16,-.59,;7.91,.31,;7.91,1.85,;6.58,2.62,;5.25,1.85,;6.58,4.16,;7.91,4.93,;9.25,4.16,;9.25,2.62,;10.58,1.85,;6.37,-3.39,;5.04,-4.16,;6.37,-4.93,;2.25,.77,;.78,1.22,;-.35,.17,;-1.73,.84,;-3.12,.17,;-4.25,1.22,)|
OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
CC(C)c1nnn(c1COc1ccc2c(CCc3ccc(cc3C2=O)C(O)=O)c1)-c1c(Cl)cccc1Cl |(6,-4.83,;5.23,-3.49,;3.69,-3.49,;6,-2.16,;7.54,-2.16,;8.01,-.7,;6.77,.21,;5.52,-.7,;4.04,-.3,;2.95,-1.39,;1.46,-.99,;1.12,.51,;-.36,.97,;-1.48,-.08,;-1.14,-1.58,;-2.1,-2.79,;-3.64,-2.79,;-4.6,-1.58,;-6.07,-2.04,;-7.2,-.99,;-6.86,.51,;-5.39,.97,;-4.26,-.08,;-2.87,.59,;-2.87,2.13,;-7.95,1.6,;-9.44,1.2,;-7.55,3.09,;.33,-2.04,;6.77,1.75,;5.44,2.52,;4.1,1.75,;5.44,4.06,;6.77,4.83,;8.1,4.06,;8.1,2.52,;9.44,1.75,)|
OC(=O)c1ccc2CS(=O)(=O)c3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-2.1,-4.22,;-.77,-3.45,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
CCNC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-5.91,3.01,;-6.3,1.52,;-5.22,.44,;-3.73,.83,;-3.33,2.32,;-2.64,-.26,;-2.98,-1.76,;-1.85,-2.8,;-.38,-2.35,;.58,-3.55,;2.12,-3.55,;3.08,-2.35,;4.55,-2.8,;5.68,-1.76,;7.17,-2.16,;8.26,-1.07,;9.74,-1.46,;10.22,-2.93,;11.76,-2.93,;12.24,-1.46,;10.99,-.56,;10.99,.98,;9.66,1.75,;8.32,.98,;9.66,3.29,;10.99,4.06,;12.32,3.29,;12.32,1.75,;13.66,.98,;9.45,-4.26,;8.12,-5.03,;9.45,-5.8,;5.34,-.26,;3.87,.2,;2.74,-.85,;1.35,-.18,;-.04,-.85,;-1.17,.2,)|
OC(=O)c1ccc2CSc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;5.44,2.62,;4.1,1.85,;5.44,4.16,;6.77,4.93,;8.1,4.16,;8.1,2.62,;9.44,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
OC(=O)c1ccc2CS(=O)c3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.44,1.31,;-7.95,1.71,;-7.55,3.19,;-6.86,.62,;-7.2,-.89,;-6.07,-1.93,;-4.6,-1.48,;-3.64,-2.68,;-2.1,-2.68,;-1.7,-4.17,;-1.14,-1.48,;.33,-1.93,;1.46,-.89,;2.95,-1.28,;4.04,-.19,;5.52,-.59,;6,-2.06,;7.54,-2.06,;8.01,-.59,;6.77,.31,;6.77,1.85,;8.1,2.62,;9.44,1.85,;8.1,4.16,;6.77,4.93,;5.44,4.16,;5.44,2.62,;4.1,1.85,;5.23,-3.39,;3.9,-4.16,;5.23,-4.93,;1.12,.62,;-.36,1.07,;-1.48,.02,;-2.87,.69,;-4.26,.02,;-5.39,1.07,)|
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CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |t:6|
CCOC(=O)C1=CN(CC(C)(C)c2c(C)n[nH]c12)C(=O)c1ccc(F)c(F)c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)-c1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(C)C)C(=O)c1ccc(F)c(F)c1 |t:5|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(OCCN2CCOCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(OCCN2CCOCC2)c1 |t:6|
CC(C)NC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(C)=O)C(=O)c1ccc(F)c(F)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1cc(F)c(F)cc1Cl |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(CN2CCOCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
CC(C)NC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1F |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1 |t:6|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccnc1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccccn1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccncc1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(nc1)C(F)(F)F |c:14|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)N1CCN(C)CC1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(F)c1 |t:6|
CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1 |c:15|
CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1 |c:15|
COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1 |c:15|
COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1 |c:15|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)N1CCOCC1 |c:15|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1 |c:15|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1 |c:15|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1 |c:15|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1 |c:15|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)N1CCOCC1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1 |c:14|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1 |c:14|
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1 |c:15|
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1 |c:14|
CCOC(=O)C1=CN(CC(C)(C)c2c(CC)n[nH]c12)C(=O)c1ccc(F)c(F)c1 |t:5|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(Cl)c(Cl)c1 |t:6|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc2ccccc2c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cc2ccccc2s1 |t:5|
CC(C)NC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1 |t:6|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc2OC(F)(F)Oc2c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)C1CCCCC1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cccc(F)c1 |t:5|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
CCCNC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C(C)C)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(16.62,-2.19,;15.28,-2.96,;13.95,-2.19,;12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.47,5.13,;.35,2.59,;-5.18,.44,;-6.7,.62,;-7.31,2.03,;-7.63,-.62,;-7.02,-2.03,;-5.49,-2.21,;-4.57,-.98,;-3.04,-1.16,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;11.28,-.65,;12.61,-2.96,;13.95,-2.19,;13.95,-.65,;12.62,.12,;12.62,1.66,;13.95,2.43,;15.28,1.66,;15.28,.12,;12.61,-4.5,;13.95,-5.27,;13.95,-6.81,;15.28,-7.58,;16.62,-6.81,;16.62,-5.27,;15.28,-4.5,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
CC(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
CC(C)c1onc(c1COc1ccc(C(=O)N(C)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
CCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(4.61,1.66,;4.61,.12,;5.95,-.65,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;-.79,3.62,;-.47,5.13,;.35,2.59,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,)|
CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;8.61,2.43,;9.95,1.66,;9.95,.12,;8.61,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
CC(C)c1onc(c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;5.95,2.43,;5.95,3.97,;7.28,4.74,;8.61,3.97,;8.61,2.43,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
CC(C)(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.28,5.07,;1.24,5.36,;2.24,4.19,;1.73,2.73,;.21,2.45,;3.73,4.59,;4.07,6.09,;5.54,6.54,;6.67,5.5,;6.33,3.99,;4.86,3.54,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
CC(C)(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.5,5.13,;.96,5.64,;2.12,4.63,;1.83,3.11,;.37,2.61,;3.58,5.13,;3.58,6.67,;4.91,7.44,;6.25,6.67,;6.25,5.13,;4.91,4.36,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|
[H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(C)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)CC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CCCCS(=O)(=O)NC(=O)CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CCCS(=O)(=O)NC(=O)CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)Cc4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)CC=C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)C(F)(F)F)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
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CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)N4CCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
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CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(N)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4F)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)c4ccccc4[N+]([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H](C(C)CC(=O)NS(F)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccccc4Cl)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(c4)[N+]([O-])=O)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(F)cc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC)cc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(F)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(C)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cn(C)cn4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(cc4)C(F)(F)F)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(c4)C(F)(F)F)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
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CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccccn4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccncc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cc(F)cc(F)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(C)c(F)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccnc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccs4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)C4CCCCC4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cnccn4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc5ncccc45)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(OC(F)(F)F)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc5ccccc5c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4nccs4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC)c(F)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(OC)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(OC)c(OC)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc(Cl)c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(Cl)cc4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc5OCOc5c4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)C4CCCC4)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4cccc5ccccc45)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC([C@H](C)CCC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)C3(C)CC[C@@H]2C2(C)CC[C@@H](O)CC12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)N(C)S(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(=O)NS(=O)(=O)C4CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(=O)NS(=O)(=O)C4(C)CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
OC(=O)c1cc(F)c2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-9.75,-4.29,;-8.98,-2.95,;-9.75,-1.62,;-7.44,-2.95,;-6.67,-4.29,;-5.13,-4.29,;-4.36,-5.62,;-4.36,-2.95,;-2.85,-2.63,;-2.69,-1.1,;-4.1,-.48,;-5.13,-1.62,;-6.67,-1.62,;-1.36,-.33,;-2.45,.76,;-.02,-1.1,;.37,.39,;-.79,-.09,;.13,.81,;-1.36,1.21,;-.02,1.98,;1.31,1.21,;1.31,-.33,;2.64,1.98,;3.98,1.21,;5.31,1.98,;5.31,3.52,;6.77,3.99,;7.68,2.75,;6.77,1.5,;7.17,.01,;6.08,-1.07,;4.6,-.68,;6.48,-2.56,;7.97,-2.96,;9.06,-1.87,;8.66,-.38,;9.75,.7,;3.98,4.29,;3.21,5.62,;2.44,4.29,)|
OC(=O)c1ccc2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-9.75,-4.95,;-8.98,-3.62,;-9.75,-2.29,;-7.44,-3.62,;-6.67,-4.95,;-5.13,-4.95,;-4.36,-3.62,;-2.85,-3.3,;-2.69,-1.77,;-4.1,-1.14,;-5.13,-2.29,;-6.67,-2.29,;-1.36,-1,;-2.45,.09,;-.02,-1.77,;.37,-.28,;-.79,-.76,;.13,.14,;-1.36,.54,;-.02,1.31,;1.31,.54,;1.31,-1,;2.64,1.31,;3.98,.54,;5.31,1.31,;5.31,2.85,;6.77,3.33,;7.68,2.08,;6.77,.83,;7.17,-.65,;6.08,-1.74,;4.6,-1.34,;6.48,-3.23,;7.97,-3.63,;9.06,-2.54,;8.66,-1.05,;9.75,.04,;3.98,3.62,;3.21,4.95,;2.44,3.62,)|
CCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
CC(C)OC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
CCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
CCCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:7|
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:6|
C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccc(O)cc1 |r,c:9,t:7|
C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccccc1 |r,c:9,t:7|
COC(=O)C1=CC2=CCC3C4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CC1 |r,t:4,6|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,-.65,;-17.06,.12,;-15.73,-2.19,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,2.43,;-17.06,1.66,;-15.73,3.97,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-13.06,3.97,;-14.39,4.74,;-11.73,4.74,;-11.73,1.66,;-10.39,2.43,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
COc1ccccc1-c1noc(C(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1ccc(cc1Cl)S(C)(=O)=O
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cncc1Cl |(-7.17,-1.58,;-8.7,-1.74,;-9.32,-3.15,;-9.6,-.5,;-11.14,-.5,;-11.62,.97,;-10.37,1.87,;-9.13,.97,;-7.79,1.74,;-6.46,.97,;-5.13,1.74,;-3.79,.97,;-2.46,1.74,;-2.46,3.28,;-1.12,4.05,;.21,3.28,;1.54,4.05,;1.54,5.59,;2.88,6.36,;4.21,5.59,;4.21,4.05,;2.88,3.28,;5.54,3.28,;5.54,1.74,;6.88,4.05,;-3.79,4.05,;-3.79,5.59,;-5.13,3.28,;-10.37,3.41,;-11.71,4.18,;-13.04,3.41,;-11.71,5.72,;-10.37,6.49,;-9.04,5.72,;-9.04,4.18,;-7.7,3.41,)|
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)c[n+]([O-])cc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1cc[nH]c(=O)c1Cl
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1ccn(C)c(=O)c1Cl
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cn(C)c(=O)c1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)ccc(=O)n1C |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
COc1ccc(Cl)c(n1)-c1noc(C(C)Cl)c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O
CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1[nH]c(=O)ccc1Cl
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5c(cccc5o4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC=Cc4cc(F)c(O)c(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r,w:14.14|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4cc(F)c(O)c(F)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CCOC(=O)Cc1nnn(CCC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@H](CC)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 |r|
CCOC(=O)Cc1nnnn1CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOc4ccccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(C(=O)OC)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(C(O)=O)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(C(O)=O)c(O)c4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(C)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(C)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(cc4)C(C)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cccc(c4)C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(cc4)-c4nnn[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCc4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cnccc4C(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4cnccc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4C#N)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C\C=C\c4ccccc4-c4nnn[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5cccc(C(=O)OC)c5[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)Cc4nc5cccc(C(O)=O)c5[nH]4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4cccc(c4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CC4CC4c4ccc(cc4)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOc4ccc(F)cc4C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC
Cc1cccc(C)c1Nc1c(nc2cccc(C)n12)-c1c(F)cccc1F |(4.66,-3.37,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.7,-6.94,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;5.4,-4.31,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-.32,-3.97,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,1.36,)|
c1cc(ccc1/C=C/C(=O)N(C2CCCCC2)C(=O)NC3CCCCC3)F
Cc1onc(c1C(=O)N(C1CCCCC1)C1CCCCC1)-c1ccc(Cl)cc1Cl
COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(OC)c1
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(s1)-c1ccccc1
OCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)-c1nnn[nH]1
c1cc(sc1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br
Brc1ccc2N(Cc3ccc(cc3)-c3nnn[nH]3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
c1ccc(c(c1)S(=O)(=O)N2CCC3(CC2)c4cc(ccc4N(C3=O)Cc5ccc(cc5)C(=O)O)Br)Cl
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C(=O)c1ccccc1
COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)Nc2c(C)cccc2C)c(OC)c1
c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F
CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
CC(=O)Nc1cccc(c1)N([C@@H](C2CCCCC2)C(=O)NC3CCCCC3)C(=O)c4ccc(cc4)Cl
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H]([C@@H]3CCCCO3)C(=O)NC3CCCCC3)c2cc1Cl
Cc1cc(ccc1OCc2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)Cl
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3)c2cc1F
CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)F)F
CC(C)c1onc(c1C(=O)N[C@H](C)c1ccc2ccccc2c1)-c1ccccc1Cl
Fc1ccccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3C#N)c2cc1F
Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1 |r|
OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1
OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
COc1ccc(-c2nc3cc(F)ccc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |wU:16.17,29.35,wD:26.28,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,-2.64,;-1.09,-2.64,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-4.85,-6.76,;-3.82,-7.9,;-2.31,-7.58,;-6.36,-7.08,;-7.39,-5.93,;-6.83,-8.54,;-1.09,.03,;-.32,1.36,;-1.09,2.7,;-2.63,.03,)|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@H](O)CC2)c(OC)n1 |wU:17.18,27.29,wD:30.33,(-8.1,.03,;-7.33,-1.3,;-5.79,-1.3,;-5.02,-2.64,;-3.48,-2.64,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;5.2,-2.84,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-.74,-4.01,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;2.35,-7.45,;.84,-7.77,;-.19,-6.62,;-2.25,-4.33,;-3.28,-3.19,;-2.73,-5.8,;-4.23,-6.12,;-4.71,-7.58,;-6.21,-7.9,;-7.25,-6.76,;-8.75,-7.08,;-6.77,-5.29,;-5.26,-4.97,;-3.48,.03,;-2.71,1.36,;-3.48,2.7,;-5.02,.03,)|
CO[C@H](c1ccccc1)c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCC(CC5)O)F)F
CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)c[n+]([O-])cc1Cl |(11.81,8.78,;13.28,9.25,;13.6,10.76,;14.42,8.22,;15.93,8.54,;16.7,7.21,;15.67,6.07,;14.26,6.69,;12.93,5.92,;11.59,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;7.59,5.92,;6.26,6.69,;8.92,6.69,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.68,-1.01,;.14,-.19,;15.99,4.56,;17.45,4.08,;18.6,5.11,;17.77,2.58,;16.63,1.55,;16.95,.04,;15.16,2.02,;14.84,3.53,;13.38,4.01,)|
C[C@H](CCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C
OS(=O)(=O)O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |wU:5.4,14.22,wD:8.11,(-8.64,-4.9,;-9.78,-5.93,;-10.81,-4.79,;-10.93,-6.96,;-8.75,-7.08,;-7.25,-6.76,;-6.77,-5.29,;-5.26,-4.97,;-4.23,-6.12,;-4.71,-7.58,;-6.21,-7.9,;-2.73,-5.8,;-2.25,-4.33,;-3.28,-3.19,;-.74,-4.01,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;2.35,-7.45,;.84,-7.77,;-.19,-6.62,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;5.2,-2.84,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-7.33,-1.3,;-5.02,.03,;-3.48,.03,)|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)-c2nccs2)cc1
CNC(=O)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(OC)cc1OC
COC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
CCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
OC(=O)CCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
COC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1
COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCC(F)(F)CC2)C(=O)NC2CCCCC2)c(OC)c1
Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccncc3)c2C1
Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(cc3)C#N)n(Cc3ccccc3)c2C1
CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1
NC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
CCOC(=O)c1cccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)c1
CCOC(=O)Cc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
CC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CC3)c2cc1F
Cc1ccc(OCc2nc3ccc(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(C)c1
Fc1ccc2nc(COc3ccc(Cl)cc3Cl)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2c1
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccncc3)c2cc1F
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(OC)n1
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3)C(=O)Nc3ccccc3)c2cc1F
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCC2)c(OC)n1
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1
Cc1cc(ccc1OC[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)nc2)c(Cl)c1
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)C(O)=O)cc1
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |r,wU:17.18,27.29,wD:30.36,(11.8,-19.09,;11.04,-17.76,;9.49,-17.74,;8.72,-19.08,;7.17,-19.07,;6.42,-17.75,;4.41,-17.75,;3.93,-16.28,;2.39,-16.28,;1.33,-15.13,;-.15,-15.46,;-1.19,-14.32,;-.62,-16.92,;-2.12,-17.24,;.41,-18.07,;1.92,-17.75,;3.17,-18.65,;3.17,-20.21,;4.5,-20.98,;4.5,-22.52,;5.84,-23.29,;7.17,-22.52,;7.17,-20.98,;5.84,-20.21,;1.83,-20.98,;1.83,-22.52,;.5,-20.21,;-.84,-20.98,;-.84,-22.53,;-2.16,-23.29,;-3.47,-22.54,;-3.47,-21,;-2.17,-20.21,;-4.83,-23.32,;-6.17,-22.55,;-4.83,-24.88,;7.19,-16.41,;6.42,-15.07,;7.12,-13.7,;8.73,-16.41,)|
CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |(11.81,8.78,;13.28,9.25,;13.6,10.76,;14.42,8.22,;15.93,8.54,;16.7,7.21,;15.67,6.07,;14.26,6.69,;12.93,5.92,;11.59,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;7.59,5.92,;6.26,6.69,;8.92,6.69,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.68,-1.01,;.14,-.19,;15.99,4.56,;17.45,4.08,;18.6,5.11,;17.77,2.58,;16.63,1.55,;15.16,2.02,;14.84,3.53,;13.38,4.01,)|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@@H]2CC[C@H](CC(O)=O)CC2)c(OC)n1 |wD:17.18,27.29,30.33,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;2.6,-4.01,;1.57,-5.16,;2.05,-6.62,;1.02,-7.77,;-.49,-7.45,;-.97,-5.98,;.06,-4.84,;4.11,-4.33,;5.44,-3.56,;4.58,-5.8,;6.09,-6.12,;7.12,-4.97,;8.63,-5.29,;9.1,-6.76,;10.61,-7.08,;11.09,-8.54,;12.59,-8.86,;10.05,-9.69,;8.07,-7.9,;6.57,-7.58,;-1.09,-2.64,;-.32,-3.97,;-1.09,-5.3,;-2.63,-2.64,)|
OC(=O)C[C@H]1CC[C@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1 |wU:4.3,7.10,wD:13.21,(8.86,-12.02,;7.83,-10.88,;8.31,-9.42,;6.33,-11.2,;5.3,-10.06,;3.79,-10.38,;2.76,-9.23,;3.23,-7.77,;4.74,-7.45,;5.77,-8.59,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-2.39,-3.51,;-.89,-3.19,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-4.94,-1.3,;-5.84,-2.55,;-7.31,-2.07,;-7.31,-.53,;-5.84,-.06,)|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@H](CC2)C(O)=O)c(OC)n1 |wU:17.18,27.29,30.36,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.4,-8.4,;2.37,-7.25,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;.7,-6.94,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;1.25,-9.55,;.22,-8.41,;3.79,-10.38,;5.3,-10.06,;3.31,-11.84,;-1.09,-2.64,;-.32,-3.97,;-1.09,-5.3,;-2.63,-2.64,)|
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1 |wU:3.2,wD:6.9,12.20,(7.83,-10.88,;6.33,-11.2,;5.85,-12.66,;5.3,-10.06,;3.79,-10.38,;2.76,-9.23,;3.23,-7.77,;4.74,-7.45,;5.77,-8.59,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-2.39,-3.51,;-.89,-3.19,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-4.94,-1.3,;-5.84,-2.55,;-7.31,-2.07,;-7.31,-.53,;-5.84,-.06,)|
Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCOCC3)C(=O)NC3CCCCC3)c2cc1F
OC(=O)COc1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1
Oc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Br)c3cc(Br)ccc23)cc1
Brc1ccc2N(Cc3ccncc3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccc(Cl)c3Cl)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3c(Cl)cccc3Cl)c3cc(Br)ccc23)cc1
OC(=O)c1cccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)c1
OC(=O)COc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1
Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccc(Cl)c3F)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3F)c3cc(Br)ccc23)cc1
Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
OC(=O)COc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3C(F)(F)F)c3cc(Br)ccc23)cc1
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)c3cc(Br)ccc23)cc1
CCOC(=O)c1ccc(CCNC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
O=C(Nc1ccccc1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1
O=C(NC1CCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
O=C(Nc1ccccc1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
O=C(NC1CCCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
CC(=O)Nc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
CN(C)C(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccn1)S(=O)(=O)c1cccs1
CNC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
COc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
NS(=O)(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
OC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1
COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(n1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cc(ccn1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCOCC1
COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)C1CCOCC1
COC(=O)\C=C\c1ccnc(c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:31.33,wD:34.37,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;2,1.93,;.67,2.69,;-.67,1.93,;-.67,.38,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-2,2.69,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-6,.38,;-8.67,-2.69,;-10,-1.93,;-8.67,-4.23,;3.33,2.69,;3.33,4.23,;4.67,1.93,;6,2.69,;7.34,1.93,;7.34,.38,;8.67,-.38,;6,-.38,;4.67,.38,)|
COC(=O)c1ccc2c(cccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc3ccccc23)cc1
COC(=O)c1cc2cccc(N(Cc3ccc(cc3)-c3ccc(cc3)N(C)C)C(=O)C3CCCCC3)c2[nH]1
COC(=O)c1cc2c(cccc2[nH]1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)c1cc2cccc(N(Cc3ccc(cc3)-c3ccc(cc3)N(C)C)C(=O)C3CCCCC3)c2s1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
CCOC(=O)c1cnc2c(cccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)c1ccc2ccc(cc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)c1cc(N(Cc2ccc(cc2)-c2ccc(cc2)N(C)C)C(=O)C2CCCCC2)c2ccccc2c1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C(C)(C)C
COC(=O)\C=C\c1ccnc(c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)C1CCCCC1 |r,wU:17.21,wD:14.14,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;4.67,-2.69,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-7.34,-.38,;-8.67,.39,;-6,.38,;3.33,2.69,;3.33,4.23,;4.67,1.93,;4.67,.38,;6,-.38,;7.34,.38,;7.34,1.93,;6,2.69,)|
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
CCOC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
COc1ccc(cc1C)-c1ccc(CN(C(=O)C2CCCCC2)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
CCOC(=O)c1ccc2c(cccc2n1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(c1)C#N)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCCCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(-c2ccc(OC)c(C)c2)c(c1)C#N)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(C)=O
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(F)c1F)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)c(c1)C#N)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C#N)c(Cl)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(Cl)c(c1)C#N)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(nc1)C(F)(F)F)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OC(F)(F)Oc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(F)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(Cl)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc(OC)c(C)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(nc1)N(C)C)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)nc1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)C1CC1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)c(Cl)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C#N)c(C)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(CO)cc1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2n(C)ccc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OCCc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2CCOc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2OCCOc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1cnc2n(C)ccc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2sc(C)nc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)OC(C)(C)C)C(=O)CC(C)(C)C
CCOc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
CCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(F)c(OC)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(C)c(Cl)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(F)F)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC(F)F)cc1)C(=O)CC(C)(C)C
COCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
COCCOc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OCCO)cc1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(CCO)cc1)C(=O)CC(C)(C)C
COCCc1ccc(cc1)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC)cc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2NCCc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc2N(C)CCc2c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(10,-5,;8.67,-4.23,;7.34,-5,;7.34,-6.54,;6,-4.23,;6,-2.69,;4.67,-1.93,;3.33,-2.69,;2,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-7.34,-4.23,;-8.67,-5,;-10,-4.23,;-7.34,-2.69,;-8.67,-1.92,;-6,-1.93,;3.33,.38,;4.67,-.38,;3.33,1.93,;2,2.7,;2,4.24,;3.33,5,;3.33,6.54,;4.67,4.24,;4.67,2.7,)|
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(Cl)c1)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(10,-5,;8.67,-4.23,;7.34,-5,;7.34,-6.54,;6,-4.23,;6,-2.69,;4.67,-1.93,;3.33,-2.69,;2,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-7.34,-4.23,;-8.67,-5,;-10,-4.23,;-7.34,-2.69,;-8.67,-1.92,;-6,-1.93,;3.33,.38,;4.67,-.38,;3.33,1.93,;2,2.7,;2,4.24,;3.33,5,;3.33,6.54,;4.67,4.24,;4.67,2.7,)|
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(c1)C#N)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:34.37,wD:37.41,(10,-5,;8.67,-4.23,;7.34,-5,;7.34,-6.54,;6,-4.23,;6,-2.69,;4.67,-1.93,;3.33,-2.69,;2,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-2,.38,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-7.34,-4.23,;-8.67,-5,;-10,-4.23,;-7.34,-2.69,;-6,-1.93,;-8.67,-1.92,;-10,-1.15,;3.33,.38,;4.67,-.38,;3.33,1.93,;2,2.7,;2,4.24,;3.33,5,;3.33,6.54,;4.67,4.24,;4.67,2.7,)|
COc1ccc(cc1C#N)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)cc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)C1CCCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)c1ccccc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCCCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)Cc1ccccc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCc1ccccc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCOCc1ccccc1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CCC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1CC1
CCCCC(=O)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC
CCCC(=O)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC1COC1
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCO
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCO
COC(=O)c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CCCCO
COc1ccc(cc1C)[C@H]1CC[C@H](CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(=O)OC(C)C)CC1 |r,wU:9.9,wD:12.13,(-10.67,-1.93,;-9.34,-2.69,;-8,-1.93,;-6.67,-2.69,;-5.33,-1.93,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-9.34,.39,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;6.67,3.47,;1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;4,.38,;2.67,-.38,;6.67,-2.69,;6.67,-4.23,;8,-1.93,;9.34,-2.69,;9.34,-4.23,;10.67,-1.92,;-1.33,.38,;-2.67,-.38,)|
CCC(C)(C)CC(=O)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)c1nccc2cc(ccc12)C(=O)OC(C)C |r,wU:13.16,wD:10.9,(8,2.69,;6.67,1.93,;5.33,2.69,;4.56,4.03,;6.1,4.03,;4,1.93,;2.67,2.69,;2.67,4.23,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.38,;-5.33,-1.93,;-6.67,-2.69,;-8,-1.93,;-9.34,-2.69,;-10.67,-1.93,;-8,-.38,;-9.34,.39,;-6.67,.38,;1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;5.33,-1.93,;5.33,-.38,;4,.38,;2.67,-.38,;6.67,-2.69,;6.67,-4.23,;8,-1.93,;9.34,-2.69,;9.34,-4.23,;10.67,-1.92,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccccc1C)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(8.67,-2.69,;7.34,-1.93,;6,-2.69,;6,-4.23,;4.67,-1.93,;4.67,-.38,;3.33,.38,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-6,-.38,;-6,-1.93,;-7.34,-2.69,;-8.67,-1.93,;-8.67,-.38,;-7.34,.38,;-7.34,1.93,;2,2.69,;2,4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;6,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1cccc(C)c1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(9.34,-2.69,;8,-1.93,;6.67,-2.69,;6.67,-4.23,;5.33,-1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.38,;-5.33,-1.93,;-6.67,-2.69,;-8,-1.93,;-8,-.38,;-9.34,.39,;-6.67,.38,;2.67,2.69,;2.67,4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;6.67,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(C)cc1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(9.34,-2.69,;8,-1.93,;6.67,-2.69,;6.67,-4.23,;5.33,-1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-8,-1.93,;-9.34,-2.69,;-6.67,-2.69,;-5.33,-1.93,;2.67,2.69,;2.67,4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;6.67,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccccc1OC)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(8.67,-2.69,;7.34,-1.93,;6,-2.69,;6,-4.23,;4.67,-1.93,;4.67,-.38,;3.33,.38,;2,-.38,;.67,.38,;-.67,-.38,;-.67,-1.93,;.67,-2.69,;2,-1.93,;3.33,-2.69,;.67,1.93,;-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-6,-.38,;-6,-1.93,;-7.34,-2.69,;-8.67,-1.93,;-8.67,-.38,;-7.34,.38,;-7.34,1.93,;-8.67,2.69,;2,2.69,;2,4.23,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;6,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1cccc(OC)c1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.39,;-10,-.38,;-6,.38,;3.33,2.69,;3.33,4.23,;4.67,1.93,;6,2.69,;7.34,1.93,;6,4.23,;7.34,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)cc1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-6,.38,;-7.34,-.38,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-6,-2.69,;-4.67,-1.93,;3.33,2.69,;3.33,4.23,;4.67,1.93,;6,2.69,;7.34,1.93,;6,4.23,;7.34,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(Cl)cc1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(9.34,-2.69,;8,-1.93,;6.67,-2.69,;6.67,-4.23,;5.33,-1.93,;5.33,-.38,;4,.38,;2.67,-.38,;1.33,.38,;,-.38,;,-1.93,;1.33,-2.69,;2.67,-1.93,;4,-2.69,;1.33,1.93,;,2.69,;-1.33,1.93,;-2.67,2.69,;-4,1.93,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.38,;-6.67,.38,;-8,-.38,;-8,-1.93,;-9.34,-2.69,;-6.67,-2.69,;-5.33,-1.93,;2.67,2.69,;2.67,4.23,;4,1.93,;5.33,2.69,;6.67,1.93,;5.33,4.23,;6.67,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C |r,wU:19.24,wD:16.17,(10,-2.69,;8.67,-1.93,;7.34,-2.69,;7.34,-4.23,;6,-1.93,;6,-.38,;4.67,.38,;3.33,-.38,;2,.38,;.67,-.38,;.67,-1.93,;2,-2.69,;3.33,-1.93,;4.67,-2.69,;2,1.93,;.67,2.69,;-.67,1.93,;-2,2.69,;-3.33,1.93,;-3.33,.38,;-2,-.38,;-.67,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-8.67,-2.69,;-10,-1.93,;-7.34,-.38,;-8.67,.39,;-6,.38,;3.33,2.69,;3.33,4.23,;4.67,1.93,;6,2.69,;7.34,1.93,;6,4.23,;7.34,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)C1CCCCC1 |r,wU:19.24,wD:16.17,(10,-4.23,;8.67,-3.47,;7.34,-4.23,;7.34,-5.78,;6,-3.47,;6,-1.93,;4.67,-1.15,;3.33,-1.93,;2,-1.15,;.67,-1.93,;.67,-3.47,;2,-4.23,;3.33,-3.47,;4.67,-4.23,;2,.38,;.67,1.15,;-.67,.38,;-2,1.15,;-3.33,.38,;-3.33,-1.15,;-2,-1.93,;-.67,-1.15,;-4.67,-1.93,;-4.67,-3.47,;-6,-4.23,;-7.34,-3.47,;-8.67,-4.23,;-10,-3.47,;-7.34,-1.93,;-8.67,-1.15,;-6,-1.15,;3.33,1.15,;4.67,.38,;3.33,2.69,;4.67,3.47,;4.67,5.01,;3.33,5.78,;2,5.01,;2,3.47,)|
COC(=O)c1ccc2c(nccc2c1)N(CC1CCN(CC1)c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
COC(=O)c1ccc2c(nccc2c1)N(C[C@H]1CC[C@@H](CC1)c1ccc(OC)c(C)c1)C(=O)[C@H]1CC[C@H](O)CC1 |r,wU:19.24,33.36,wD:16.17,36.40,(10,-5,;8.67,-4.23,;7.34,-5,;7.34,-6.54,;6,-4.23,;6,-2.69,;4.67,-1.93,;3.33,-2.69,;2,-1.93,;.67,-2.69,;.67,-4.23,;2,-5,;3.33,-4.23,;4.67,-5,;2,-.38,;.67,.38,;-.67,-.38,;-2,.38,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-.67,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-6,-5,;-7.34,-4.23,;-8.67,-5,;-10,-4.23,;-7.34,-2.69,;-8.67,-1.92,;-6,-1.93,;3.33,.38,;4.67,-.38,;3.33,1.93,;2,2.7,;2,4.24,;3.33,5,;3.33,6.54,;4.67,4.24,;4.67,2.7,)|
COc1ccc(cc1C)[C@H]1CC[C@H](CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(O)=O)CC1 |r,wU:9.9,wD:12.13,(-9.34,-1.93,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-8,.39,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;1.33,2.69,;2.67,1.93,;4,2.69,;4,4.23,;5.33,1.93,;6.67,2.69,;8,1.93,;6.67,4.23,;8,3.47,;2.67,.38,;1.33,-.38,;1.33,-1.93,;2.67,-2.69,;4,-1.93,;5.33,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;4,-.38,;8,-2.69,;9.34,-1.93,;8,-4.23,;,.38,;-1.33,-.38,)|
COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(ccc23)C(O)=O)cc1
COC(=O)\C=C\c1ccc2c(nccc2c1)N(Cc1ccc(cc1)-c1ccc(OC)c(C)c1)C(=O)CC(C)(C)C
COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(\C=C\C(O)=O)ccc23)cc1
COc1ccc(cc1C)-c1ccc(CN(C(=O)CC(C)(C)C)c2nccc3cc(CCC(O)=O)ccc23)cc1
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCOC(=O)NS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCOC(=O)NS(=O)(=O)C4CCCCC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)COC(=O)NS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)COC(=O)NS(=O)(=O)N(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
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CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCOC(=O)N4CCC(CO)(CO)CC4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
OC(=O)c1ccc2c(Oc3ccc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)nc3C=C2F)c1 |c:37,(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;5.37,.99,;5.71,2.5,;7.1,3.16,;8.49,2.5,;9.62,3.54,;11.09,3.09,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;10.3,.54,;8.83,.99,;7.87,-.21,;6.33,-.21,;5.66,-1.6,;4.58,3.54,)|
OC(=O)c1ccc2OCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;5.37,.99,;6.33,-.21,;7.87,-.21,;8.83,.99,;10.3,.54,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;11.09,3.09,;9.62,3.54,;8.49,2.5,;7.1,3.16,;5.71,2.5,;4.58,3.54,)|
OC(=O)c1ccc2C3CC3c3nc(OCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)ccc3Oc2c1 |(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;5.37,.99,;6.33,-.21,;7.1,-1.54,;7.87,-.21,;8.83,.99,;10.3,.54,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.21,-2.28,;16.75,-2.26,;17.21,-.78,;15.95,.1,;15.93,1.64,;15.14,2.96,;16.68,2.99,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;11.09,3.09,;9.62,3.54,;8.49,2.5,;7.1,3.16,;5.71,2.5,;4.58,3.54,)|
OC(=O)c1cc(F)c2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;3.56,-.96,;5.37,.99,;6.33,-.21,;7.87,-.21,;8.83,.99,;10.3,.54,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;11.09,3.09,;9.62,3.54,;8.49,2.5,;7.1,3.16,;5.71,2.5,;4.58,3.54,)|
OC(=O)c1ccc2C=C(F)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |t:7,(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;2.77,1.59,;3.9,.54,;5.37,.99,;6.33,-.21,;7.87,-.21,;8.54,-1.6,;8.83,.99,;10.3,.54,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;11.09,3.09,;9.62,3.54,;8.49,2.5,;7.1,3.16,;5.71,2.5,;4.58,3.54,)|
OC(=O)c1cc2Oc3ccc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)nc3CCc2cc1F |(2.33,5.64,;1.98,4.14,;.51,3.68,;3.11,3.09,;4.58,3.54,;5.71,2.5,;7.1,3.16,;8.49,2.5,;9.62,3.54,;11.09,3.09,;11.43,1.59,;12.9,1.13,;13.25,-.37,;14.72,-.82,;15.95,.1,;17.21,-.78,;16.75,-2.26,;15.21,-2.28,;14.33,-3.54,;12.79,-3.4,;12.15,-2,;11.91,-4.66,;12.56,-6.06,;14.09,-6.19,;14.98,-4.93,;16.51,-5.07,;15.93,1.64,;15.14,2.96,;16.68,2.99,;10.3,.54,;8.83,.99,;7.87,-.21,;6.33,-.21,;5.37,.99,;3.9,.54,;2.77,1.59,;1.3,1.13,)|
OC(=O)c1cc2Oc3ccc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)nc3CCc2cc1O |(-9.45,1.36,;-7.98,1.82,;-7.64,3.32,;-6.85,.77,;-5.38,1.22,;-4.25,.17,;-2.86,.84,;-1.48,.17,;-.35,1.22,;1.12,.77,;1.47,-.73,;2.94,-1.19,;4.07,-.14,;5.54,-.59,;6.01,-2.06,;7.55,-2.06,;8.03,-.59,;6.78,.31,;6.78,1.85,;5.45,2.62,;4.12,1.85,;5.45,4.16,;6.78,4.93,;8.12,4.16,;8.12,2.62,;9.45,1.85,;5.24,-3.39,;3.91,-4.16,;5.24,-4.93,;.34,-1.78,;-1.13,-1.33,;-2.09,-2.53,;-3.63,-2.53,;-4.59,-1.33,;-6.07,-1.78,;-7.19,-.73,;-8.67,-1.19,)|
CC1Cc2ccc(cc2Oc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc12)C(O)=O |(-1.32,-3.86,;-2.09,-2.53,;-3.63,-2.53,;-4.59,-1.33,;-6.07,-1.78,;-7.19,-.73,;-6.85,.77,;-5.38,1.22,;-4.25,.17,;-2.86,.84,;-1.48,.17,;-.35,1.22,;1.12,.77,;1.47,-.73,;2.94,-1.19,;4.07,-.14,;5.54,-.59,;6.01,-2.06,;7.55,-2.06,;8.03,-.59,;6.78,.31,;6.78,1.85,;5.45,2.62,;4.12,1.85,;5.45,4.16,;6.78,4.93,;8.12,4.16,;8.12,2.62,;9.45,1.85,;5.24,-3.39,;3.91,-4.16,;5.24,-4.93,;.34,-1.78,;-1.13,-1.33,;-7.98,1.82,;-9.45,1.36,;-7.64,3.32,)|
CC1=Cc2ccc(cc2Oc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc12)C(O)=O |t:1,(-1.32,-3.86,;-2.09,-2.53,;-3.63,-2.53,;-4.59,-1.33,;-6.07,-1.78,;-7.19,-.73,;-6.85,.77,;-5.38,1.22,;-4.25,.17,;-2.86,.84,;-1.48,.17,;-.35,1.22,;1.12,.77,;1.47,-.73,;2.94,-1.19,;4.07,-.14,;5.54,-.59,;6.01,-2.06,;7.55,-2.06,;8.03,-.59,;6.78,.31,;6.78,1.85,;5.45,2.62,;4.12,1.85,;5.45,4.16,;6.78,4.93,;8.12,4.16,;8.12,2.62,;9.45,1.85,;5.24,-3.39,;3.91,-4.16,;5.24,-4.93,;.34,-1.78,;-1.13,-1.33,;-7.98,1.82,;-9.45,1.36,;-7.64,3.32,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(nnn1-c1c(Cl)cccc1Cl)C1CC1 |(9.31,2.51,;7.83,2.11,;7.43,.62,;6.74,3.2,;7.13,4.69,;6.05,5.78,;4.56,5.38,;4.16,3.89,;5.25,2.8,;2.67,3.49,;1.58,4.58,;.21,3.88,;.45,2.36,;1.97,2.12,;-.64,1.27,;-2.12,.87,;-2.89,-.46,;-1.41,-.06,;.08,-.46,;.85,.87,;-1.41,1.48,;-.64,2.81,;-1.81,-1.55,;-3.35,-1.55,;-4.12,-2.88,;-3.49,-4.29,;-4.63,-5.32,;-5.97,-4.55,;-5.65,-3.04,;-6.74,-1.95,;-6.34,-.47,;-4.85,-.07,;-7.43,.62,;-8.91,.22,;-9.31,-1.26,;-8.22,-2.35,;-8.62,-3.84,;-2,-4.69,;-.91,-5.78,;-.51,-4.29,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
CC(C)c1onc(c1COC12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)C(O)=O)-c1ccccc1OC(F)(F)F
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.31,2.51,;7.83,2.11,;7.43,.62,;6.74,3.2,;7.13,4.69,;6.05,5.78,;4.56,5.38,;4.16,3.89,;5.25,2.8,;2.67,3.49,;1.58,4.58,;.21,3.88,;.45,2.36,;1.97,2.12,;-.64,1.27,;-2.12,.87,;-2.89,-.46,;-1.41,-.06,;.08,-.46,;.85,.87,;-1.41,1.48,;-.64,2.81,;-1.81,-1.55,;-3.35,-1.55,;-4.12,-2.88,;-5.65,-3.04,;-5.97,-4.55,;-4.63,-5.32,;-3.49,-4.29,;-2,-4.69,;-.91,-5.78,;-.51,-4.29,;-6.74,-1.95,;-8.22,-2.35,;-8.62,-3.84,;-9.31,-1.26,;-8.91,.22,;-7.43,.62,;-6.34,-.47,;-4.85,-.07,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.51,3.6,;8.42,4.69,;8.82,6.18,;6.94,4.29,;6.54,2.8,;5.05,2.4,;3.96,3.49,;4.36,4.98,;5.85,5.38,;2.47,3.09,;1.38,4.18,;.01,3.48,;.25,1.96,;1.77,1.72,;-.84,.87,;-2.32,.48,;-3.09,-.86,;-1.61,-.46,;-.12,-.86,;.65,.48,;-1.61,1.08,;-.84,2.41,;-2,-1.95,;-3.54,-1.95,;-4.31,-3.28,;-5.85,-3.44,;-6.17,-4.95,;-4.83,-5.72,;-3.69,-4.69,;-2.2,-5.09,;-1.11,-6.18,;-.71,-4.69,;-6.94,-2.35,;-8.42,-2.75,;-8.82,-4.24,;-9.51,-1.66,;-9.11,-.18,;-7.63,.22,;-6.54,-.87,;-5.05,-.47,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.02,6.18,;8.62,4.69,;7.13,4.29,;6.05,5.38,;4.56,4.98,;4.16,3.49,;5.25,2.4,;6.74,2.8,;7.83,1.71,;9.31,2.11,;7.43,.23,;2.67,3.09,;1.58,4.18,;.21,3.48,;.45,1.96,;1.97,1.72,;-.64,.87,;-2.12,.48,;-2.89,-.86,;-1.41,-.46,;.08,-.86,;.85,.48,;-1.41,1.08,;-.64,2.41,;-1.81,-1.95,;-3.35,-1.95,;-4.12,-3.28,;-3.49,-4.69,;-4.63,-5.72,;-5.97,-4.95,;-5.65,-3.44,;-6.74,-2.35,;-8.22,-2.75,;-8.62,-4.24,;-9.31,-1.66,;-8.91,-.18,;-7.43,.22,;-6.34,-.87,;-4.85,-.47,;-2,-5.09,;-.91,-6.18,;-.51,-4.69,)|
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1 |(-10.71,-4.24,;-10.31,-2.75,;-11.4,-1.66,;-11,-.18,;-9.51,.22,;-8.42,-.87,;-6.94,-.47,;-8.82,-2.35,;-7.73,-3.44,;-8.05,-4.95,;-6.72,-5.72,;-5.57,-4.69,;-4.09,-5.09,;-3,-6.18,;-2.6,-4.69,;-6.2,-3.28,;-5.43,-1.95,;-3.89,-1.95,;-3.49,-.46,;-4.98,-.86,;-4.21,.48,;-2.72,.87,;-1.23,.48,;-2,-.86,;-2.72,2.41,;-3.49,1.08,;-1.63,1.96,;-.11,1.72,;.59,3.09,;-.5,4.18,;-1.87,3.48,;2.07,3.49,;3.16,2.4,;4.65,2.8,;5.05,4.29,;3.96,5.38,;2.47,4.98,;6.54,4.69,;6.94,6.18,;7.63,3.6,;9.11,4,;8.71,5.49,;10.6,4.4,;9.51,2.51,;8.42,1.42,;8.82,-.07,;10.31,-.46,;11.4,.62,;11,2.11,)|
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(10.26,4,;8.77,3.6,;7.68,4.69,;8.08,6.18,;6.19,4.29,;5.79,2.8,;4.31,2.4,;3.22,3.49,;3.62,4.98,;5.1,5.38,;1.73,3.09,;.64,4.18,;-.73,3.48,;-.49,1.96,;1.03,1.72,;-1.58,.87,;-3.07,.48,;-3.84,-.86,;-2.35,-.46,;-.86,-.86,;-.09,.48,;-2.35,1.08,;-1.58,2.41,;-2.75,-1.95,;-4.29,-1.95,;-5.06,-3.28,;-6.59,-3.44,;-6.91,-4.95,;-5.58,-5.72,;-4.43,-4.69,;-2.94,-5.09,;-1.86,-6.18,;-1.46,-4.69,;-7.68,-2.35,;-9.17,-2.75,;-9.57,-4.24,;-10.26,-1.66,;-9.86,-.18,;-8.37,.22,;-7.28,-.87,;-5.79,-.47,)|
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C(C)C
COC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(nnn1-c1c(Cl)cccc1Cl)C1CC1 |(9.51,3.6,;8.42,4.69,;8.82,6.18,;6.94,4.29,;6.54,2.8,;5.05,2.4,;3.96,3.49,;4.36,4.98,;5.85,5.38,;2.47,3.09,;1.38,4.18,;.01,3.48,;.25,1.96,;1.77,1.72,;-.84,.87,;-2.32,.48,;-3.09,-.86,;-1.61,-.46,;-.12,-.86,;.65,.48,;-1.61,1.08,;-.84,2.41,;-2,-1.95,;-3.54,-1.95,;-4.31,-3.28,;-3.69,-4.69,;-4.83,-5.72,;-6.17,-4.95,;-5.85,-3.44,;-6.94,-2.35,;-6.54,-.87,;-5.05,-.47,;-7.63,.22,;-9.11,-.18,;-9.51,-1.66,;-8.42,-2.75,;-8.82,-4.24,;-2.2,-5.09,;-1.11,-6.18,;-.71,-4.69,)|
OC(=O)c1ccc2nc(sc2c1)C12CCC(CC1)(CC2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1ccc2nc(sc2c1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(7.33,6.72,;5.85,6.32,;4.76,7.41,;5.45,4.83,;6.54,3.75,;6.14,2.26,;4.65,1.86,;3.95,.49,;2.43,.73,;2.19,2.25,;3.56,2.95,;3.96,4.44,;1.34,-.36,;-.15,-.76,;-.92,-2.09,;.57,-1.69,;2.06,-2.09,;2.83,-.76,;.57,-.15,;1.34,1.18,;.17,-3.18,;-1.37,-3.18,;-2.14,-4.52,;-1.51,-5.92,;-2.66,-6.95,;-3.99,-6.18,;-3.67,-4.68,;-4.76,-3.59,;-6.25,-3.99,;-6.64,-5.47,;-7.33,-2.9,;-6.94,-1.41,;-5.45,-1.01,;-4.36,-2.1,;-2.87,-1.7,;-.02,-6.32,;1.07,-7.41,;1.46,-5.92,)|
OC(=O)c1cccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
OC(=O)c1ccc(nc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1cncc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.5,2.43,;8.01,2.03,;7.61,.55,;6.92,3.12,;7.32,4.61,;6.23,5.7,;4.74,5.3,;4.35,3.81,;5.43,2.73,;2.86,3.42,;1.77,4.5,;.4,3.81,;.64,2.28,;2.16,2.04,;-.45,1.2,;-1.94,.8,;-2.71,-.54,;-1.22,-.14,;.27,-.54,;1.04,.8,;-1.22,1.4,;-.45,2.74,;-1.99,-1.47,;-3.53,-1.47,;-4.3,-2.81,;-5.83,-2.97,;-6.15,-4.47,;-4.82,-5.24,;-3.67,-4.21,;-2.19,-4.61,;-1.1,-5.7,;-.7,-4.21,;-6.92,-1.88,;-6.52,-.39,;-5.04,.01,;-7.61,.7,;-9.1,.3,;-9.5,-1.19,;-8.41,-2.28,;-8.81,-3.76,)|
OC(=O)c1cncc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1ccc(cn1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.7,3.52,;8.61,4.61,;9.01,6.1,;7.12,4.21,;6.03,5.3,;4.54,4.9,;4.15,3.42,;5.24,2.33,;6.72,2.73,;2.66,3.02,;1.57,4.11,;.2,3.41,;.44,1.89,;1.96,1.64,;-.65,.8,;-2.14,.4,;-2.91,-.94,;-1.42,-.54,;.07,-.94,;.84,.4,;-1.42,1,;-.65,2.34,;-2.19,-1.87,;-3.73,-1.87,;-4.5,-3.2,;-6.03,-3.37,;-6.35,-4.87,;-5.02,-5.64,;-3.87,-4.61,;-2.39,-5.01,;-1.3,-6.1,;-.9,-4.61,;-7.12,-2.28,;-6.72,-.79,;-5.24,-.39,;-7.81,.3,;-9.3,-.1,;-9.7,-1.59,;-8.61,-2.67,;-9.01,-4.16,)|
OC(=O)c1ccc(cn1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
OC(=O)c1cccc(n1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1cccc(n1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
OC(=O)c1cc(ccn1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1cc(ccn1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
OC(=O)c1cc(F)c2nc(sc2c1)C12CCC(CC1)(CC2)OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1
OC(=O)c1cccc(c1)-c1nnc(o1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.5,2.43,;8.01,2.03,;7.61,.55,;6.92,3.12,;7.32,4.61,;6.23,5.7,;4.74,5.3,;4.35,3.81,;5.43,2.73,;2.86,3.42,;1.77,4.5,;.4,3.81,;.64,2.28,;2.16,2.04,;-.45,1.2,;-1.94,.8,;-2.71,-.54,;-1.22,-.14,;.27,-.54,;1.04,.8,;-1.22,1.4,;-.45,2.74,;-1.99,-1.47,;-3.53,-1.47,;-4.3,-2.81,;-5.83,-2.97,;-6.15,-4.47,;-4.82,-5.24,;-3.67,-4.21,;-2.19,-4.61,;-1.1,-5.7,;-.7,-4.21,;-6.92,-1.88,;-8.41,-2.28,;-8.81,-3.76,;-9.5,-1.19,;-9.1,.3,;-7.61,.7,;-6.52,-.39,;-5.04,.01,)|
OC(=O)c1cccc(c1)-c1nnc(s1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.5,2.43,;8.01,2.03,;7.61,.55,;6.92,3.12,;7.32,4.61,;6.23,5.7,;4.74,5.3,;4.35,3.81,;5.43,2.73,;2.86,3.42,;1.77,4.5,;.4,3.81,;.64,2.28,;2.16,2.04,;-.45,1.2,;-1.94,.8,;-2.71,-.54,;-1.22,-.14,;.27,-.54,;1.04,.8,;-1.22,1.4,;-.45,2.74,;-1.99,-1.47,;-3.53,-1.47,;-4.3,-2.81,;-3.67,-4.21,;-4.82,-5.24,;-6.15,-4.47,;-5.83,-2.97,;-6.92,-1.88,;-8.41,-2.28,;-8.81,-3.76,;-9.5,-1.19,;-9.1,.3,;-7.61,.7,;-6.52,-.39,;-5.04,.01,;-2.19,-4.61,;-1.1,-5.7,;-.7,-4.21,)|
OC(=O)c1cccc(c1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.5,2.43,;8.01,2.03,;7.61,.55,;6.92,3.12,;7.32,4.61,;6.23,5.7,;4.74,5.3,;4.35,3.81,;5.43,2.73,;2.86,3.42,;2.16,2.04,;.64,2.28,;.4,3.81,;1.77,4.5,;-.45,1.2,;-1.94,.8,;-2.71,-.54,;-1.22,-.14,;.27,-.54,;1.04,.8,;-1.22,1.4,;-.45,2.74,;-1.99,-1.47,;-3.53,-1.47,;-4.3,-2.81,;-5.83,-2.97,;-6.15,-4.47,;-4.82,-5.24,;-3.67,-4.21,;-2.19,-4.61,;-1.1,-5.7,;-.7,-4.21,;-6.92,-1.88,;-8.41,-2.28,;-8.81,-3.76,;-9.5,-1.19,;-9.1,.3,;-7.61,.7,;-6.52,-.39,;-5.04,.01,)|
OC(=O)c1cccc(c1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1ccc(cc1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.7,3.52,;8.61,4.61,;9.01,6.1,;7.12,4.21,;6.72,2.73,;5.24,2.33,;4.15,3.42,;4.54,4.9,;6.03,5.3,;2.66,3.02,;1.96,1.64,;.44,1.89,;.2,3.41,;1.57,4.11,;-.65,.8,;-2.14,.4,;-2.91,-.94,;-1.42,-.54,;.07,-.94,;.84,.4,;-1.42,1,;-.65,2.34,;-2.19,-1.87,;-3.73,-1.87,;-4.5,-3.2,;-6.03,-3.37,;-6.35,-4.87,;-5.02,-5.64,;-3.87,-4.61,;-2.39,-5.01,;-1.3,-6.1,;-.9,-4.61,;-7.12,-2.28,;-8.61,-2.67,;-9.01,-4.16,;-9.7,-1.59,;-9.3,-.1,;-7.81,.3,;-6.72,-.79,;-5.24,-.39,)|
OC(=O)c1ccc(cc1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1cc(ccn1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1cc(ccn1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1C(F)(F)F
OC(=O)c1cccc(n1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.5,2.43,;8.01,2.03,;7.61,.55,;6.92,3.12,;7.32,4.61,;6.23,5.7,;4.74,5.3,;4.35,3.81,;5.43,2.73,;2.86,3.42,;2.16,2.04,;.64,2.28,;.4,3.81,;1.77,4.5,;-.45,1.2,;-1.94,.8,;-2.71,-.54,;-1.22,-.14,;.27,-.54,;1.04,.8,;-1.22,1.4,;-.45,2.74,;-1.99,-1.47,;-3.53,-1.47,;-4.3,-2.81,;-5.83,-2.97,;-6.15,-4.47,;-4.82,-5.24,;-3.67,-4.21,;-2.19,-4.61,;-1.1,-5.7,;-.7,-4.21,;-6.92,-1.88,;-8.41,-2.28,;-8.81,-3.76,;-9.5,-1.19,;-9.1,.3,;-7.61,.7,;-6.52,-.39,;-5.04,.01,)|
OC(=O)c1cccc(n1)-c1nc(no1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1ccc2nc(ncc2c1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OCc1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(7.17,.51,;6.93,2.03,;5.49,2.58,;5.09,4.07,;3.56,4.15,;3,2.71,;4.2,1.74,;1.52,2.31,;3.03,1.65,;1.62,1.27,;-.08,1.81,;-1.21,.53,;.19,.81,;-.56,3.19,;.92,3.64,;-1.62,1.9,;-2.47,.61,;-4,.7,;-4.98,-.49,;-6.41,.07,;-6.32,1.61,;-4.83,2,;-4.27,3.43,;-3.07,4.4,;-4.5,4.96,;-4.59,-1.98,;-5.69,-3.06,;-7.17,-2.65,;-5.3,-4.55,;-3.81,-4.96,;-2.72,-3.88,;-3.11,-2.39,;-2.01,-1.3,)|
NC(=O)c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(6.69,.51,;6.45,2.03,;7.65,3,;5.02,2.58,;4.62,4.07,;3.08,4.15,;2.53,2.71,;3.72,1.74,;1.04,2.31,;2.55,1.65,;1.14,1.27,;-.56,1.81,;-1.69,.53,;-.29,.81,;-1.03,3.19,;.44,3.64,;-2.1,1.9,;-2.94,.61,;-4.48,.7,;-5.46,-.49,;-6.89,.07,;-6.8,1.61,;-5.31,2,;-4.75,3.43,;-3.55,4.4,;-4.98,4.96,;-5.07,-1.98,;-6.16,-3.06,;-7.65,-2.65,;-5.78,-4.55,;-4.29,-4.96,;-3.19,-3.88,;-3.58,-2.39,;-2.49,-1.3,)|
OC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2ccccc2OC(F)(F)F)c1
OC(=O)c1cc(F)c2nc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)sc2c1
OC(=O)[C@@H]1CCC[C@@H](C1)OCC12CCC(CC1)(CC2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |r|
OC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(9.03,-1.12,;7.49,-1.12,;6.72,-2.46,;6.72,.21,;7.49,1.54,;6.72,2.88,;5.18,2.88,;4.41,1.54,;2.87,1.54,;2.1,.21,;.56,.21,;1.69,-1.07,;.28,-.79,;-1.04,.72,;-2.55,.05,;-1.14,-.33,;-.44,2.04,;1.03,1.59,;-2.51,1.19,;-3.65,.16,;-5.11,.64,;-6.36,-.27,;-7.61,.64,;-7.13,2.1,;-5.59,2.1,;-4.69,3.35,;-3.35,4.12,;-4.69,4.89,;-6.36,-1.81,;-7.69,-2.58,;-9.03,-1.81,;-7.69,-4.12,;-6.36,-4.89,;-5.03,-4.12,;-5.03,-2.58,;-3.69,-1.81,;5.18,.21,)|
OC(=O)c1cc(F)c2nc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)sc2c1 |(10.57,2.31,;9.24,3.08,;9.24,4.62,;7.9,2.31,;7.9,.77,;6.57,0,;6.57,-1.54,;5.24,.77,;3.77,.3,;2.87,1.54,;1.33,1.54,;.56,.21,;-.98,.21,;.15,-1.07,;-1.26,-.79,;-2.58,.72,;-4.09,.05,;-2.69,-.33,;-1.98,2.04,;-.51,1.59,;-4.05,1.19,;-5.19,.16,;-6.66,.64,;-7.13,2.1,;-8.67,2.1,;-9.15,.64,;-7.9,-.27,;-7.9,-1.81,;-9.24,-2.58,;-10.57,-1.81,;-9.24,-4.12,;-7.9,-4.89,;-6.57,-4.12,;-6.57,-2.58,;-5.24,-1.81,;-6.23,3.35,;-4.89,4.12,;-6.23,4.89,;3.77,2.79,;5.24,2.31,;6.57,3.08,)|
Cn1cc(C(O)=O)c2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)cc12
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC12CCC(COc3cccc(c3)C#N)(CC1)CC2 |(-8.64,-1.81,;-7.31,-2.58,;-7.31,-4.12,;-5.98,-4.89,;-4.64,-4.12,;-4.64,-2.58,;-3.31,-1.81,;-5.98,-1.81,;-5.98,-.27,;-7.22,.64,;-6.75,2.1,;-5.21,2.1,;-4.3,3.35,;-2.97,4.12,;-4.3,4.89,;-4.73,.64,;-3.27,.16,;-2.12,1.19,;-.66,.72,;.67,-.79,;2.08,-1.07,;.94,.21,;2.48,.21,;3.25,1.54,;4.79,1.54,;5.56,2.88,;7.1,2.88,;7.87,1.54,;7.13,.16,;5.56,.21,;7.9,-1.17,;8.67,-2.5,;-.76,-.33,;-2.17,.05,;1.42,1.59,;-.06,2.04,)|
Cn1cc(C(O)=O)c2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)cc12 |(6.14,-2.44,;6.46,-.93,;7.87,-.31,;7.71,1.22,;8.85,2.25,;10.32,1.78,;8.53,3.76,;6.2,1.54,;5.43,2.88,;3.89,2.88,;3.12,1.54,;1.58,1.54,;.81,.21,;-.73,.21,;.4,-1.07,;-1,-.79,;-2.33,.72,;-3.84,.05,;-2.43,-.33,;-1.73,2.04,;-.26,1.59,;-3.79,1.19,;-4.94,.16,;-6.4,.64,;-6.88,2.1,;-8.42,2.1,;-8.89,.64,;-7.65,-.27,;-7.65,-1.81,;-8.98,-2.58,;-10.32,-1.81,;-8.98,-4.12,;-7.65,-4.89,;-6.31,-4.12,;-6.31,-2.58,;-4.98,-1.81,;-5.97,3.35,;-4.64,4.12,;-5.97,4.89,;3.89,.21,;5.43,.21,)|
OC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)c1 |(9.03,-1.12,;7.49,-1.12,;6.72,-2.46,;6.72,.21,;7.49,1.54,;6.72,2.88,;5.18,2.88,;4.41,1.54,;2.87,1.54,;2.1,.21,;.56,.21,;1.69,-1.07,;.28,-.79,;-1.04,.72,;-2.55,.05,;-1.14,-.33,;-.44,2.04,;1.03,1.59,;-2.51,1.19,;-3.65,.16,;-5.11,.64,;-6.36,-.27,;-7.61,.64,;-7.13,2.1,;-5.59,2.1,;-4.69,3.35,;-3.35,4.12,;-4.69,4.89,;-6.36,-1.81,;-7.69,-2.58,;-9.03,-1.81,;-7.69,-4.12,;-6.36,-4.89,;-5.03,-4.12,;-5.03,-2.58,;-3.69,-1.81,;5.18,.21,)|
OC(=O)c1ccc(F)c(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,-1.45,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,2.55,)|
OC(=O)c1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1F |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;5.18,2.55,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,-.12,;6.72,-.12,;7.49,1.22,;9.03,1.22,)|
OC(=O)c1cc(F)cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;7.49,-1.45,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,2.55,)|
Cc1c(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cccc1C(O)=O |(4.38,3.93,;5.15,2.6,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,-.12,;6.72,-.12,;7.49,1.22,;6.72,2.55,;7.49,3.88,;9.03,3.88,;6.72,5.22,)|
Cc1c(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cccc1C(O)=O |(4.41,3.88,;5.18,2.55,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,-.12,;6.72,-.12,;7.49,1.22,;6.72,2.55,;7.49,3.88,;9.03,3.88,;6.72,5.22,)|
Cn1cc(C(O)=O)c2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12 |(6.14,-2.44,;6.46,-.93,;7.87,-.31,;7.71,1.22,;8.85,2.25,;10.32,1.78,;8.53,3.76,;6.2,1.54,;5.43,2.88,;3.89,2.88,;3.12,1.54,;1.58,1.54,;.81,.21,;-.73,.21,;.4,-1.07,;-1,-.79,;-2.33,.72,;-3.84,.05,;-2.43,-.33,;-1.73,2.04,;-.26,1.59,;-3.79,1.19,;-4.94,.16,;-6.4,.64,;-6.88,2.1,;-8.42,2.1,;-8.89,.64,;-7.65,-.27,;-7.65,-1.81,;-8.98,-2.58,;-10.32,-1.81,;-8.98,-4.12,;-7.65,-4.89,;-6.31,-4.12,;-6.31,-2.58,;-4.98,-1.81,;-5.97,3.35,;-4.64,4.12,;-5.97,4.89,;3.89,.21,;5.43,.21,)|
OC(=O)c1ccc(F)c(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,-1.45,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,2.55,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(9.41,.21,;8.64,1.54,;9.41,2.88,;7.1,1.54,;6.33,.21,;4.79,.21,;4.02,1.54,;2.48,1.54,;1.71,.21,;.17,.21,;1.31,-1.07,;-.1,-.79,;-1.43,.72,;-2.94,.05,;-1.53,-.33,;-.83,2.04,;.65,1.59,;-2.89,1.19,;-4.04,.16,;-5.5,.64,;-6.75,-.27,;-7.99,.64,;-7.52,2.1,;-5.98,2.1,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;-6.75,-1.81,;-8.08,-2.58,;-9.41,-1.81,;-8.08,-4.12,;-6.75,-4.89,;-5.41,-4.12,;-5.41,-2.58,;-4.08,-1.81,;4.79,2.88,;6.33,2.88,)|
OC(=O)c1cc(c2cc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc2n1)C(F)(F)F |(10.57,3.88,;9.8,2.55,;10.57,1.22,;8.26,2.55,;7.49,3.88,;5.95,3.88,;5.18,2.55,;3.64,2.55,;2.87,1.22,;1.33,1.22,;.56,-.12,;-.98,-.12,;.15,-1.4,;-1.26,-1.12,;-2.58,.39,;-4.09,-.28,;-2.68,-.66,;-1.98,1.72,;-.51,1.26,;-4.05,.86,;-5.19,-.17,;-6.65,.31,;-7.13,1.77,;-8.67,1.77,;-9.15,.31,;-7.9,-.6,;-7.9,-2.14,;-9.23,-2.91,;-10.57,-2.14,;-9.23,-4.45,;-7.9,-5.22,;-6.57,-4.45,;-6.57,-2.91,;-5.23,-2.14,;-6.23,3.02,;-4.89,3.79,;-6.23,4.56,;3.64,-.12,;5.18,-.12,;5.95,1.22,;7.49,1.22,;5.18,5.22,;5.95,6.55,;3.64,5.22,;4.41,6.55,)|
OC(=O)c1cc(c2cc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1)C(F)(F)F |(10.57,3.88,;9.8,2.55,;10.57,1.22,;8.26,2.55,;7.49,3.88,;5.95,3.88,;5.18,2.55,;3.64,2.55,;2.87,1.22,;1.33,1.22,;.56,-.12,;-.98,-.12,;.15,-1.4,;-1.26,-1.12,;-2.58,.39,;-4.09,-.28,;-2.68,-.66,;-1.98,1.72,;-.51,1.26,;-4.05,.86,;-5.19,-.17,;-6.65,.31,;-7.13,1.77,;-8.67,1.77,;-9.15,.31,;-7.9,-.6,;-7.9,-2.14,;-9.23,-2.91,;-10.57,-2.14,;-9.23,-4.45,;-7.9,-5.22,;-6.57,-4.45,;-6.57,-2.91,;-5.23,-2.14,;-6.23,3.02,;-4.89,3.79,;-6.23,4.56,;3.64,-.12,;5.18,-.12,;5.95,1.22,;7.49,1.22,;5.18,5.22,;5.95,6.55,;3.64,5.22,;4.41,6.55,)|
OC(=O)c1cc(F)cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;7.49,-1.45,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,2.55,)|
OC(=O)c1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(F)(F)F |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;5.18,2.55,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-5.59,1.77,;-7.13,1.77,;-7.61,.31,;-6.36,-.6,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;5.18,-.12,;6.75,-.17,;7.49,1.22,;7.52,-1.5,;8.29,-2.83,;8.85,-.73,;6.18,-2.27,)|
OC(=O)Cc1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(9.41,-2.46,;8.64,-1.12,;9.41,.21,;7.1,-1.12,;6.33,.21,;7.1,1.54,;6.33,2.88,;4.79,2.88,;4.02,1.54,;2.48,1.54,;1.71,.21,;.17,.21,;1.31,-1.07,;-.1,-.79,;-1.43,.72,;-2.94,.05,;-1.53,-.33,;-.83,2.04,;.65,1.59,;-2.89,1.19,;-4.04,.16,;-5.5,.64,;-6.75,-.27,;-7.99,.64,;-7.52,2.1,;-5.98,2.1,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;-6.75,-1.81,;-8.08,-2.58,;-9.41,-1.81,;-8.08,-4.12,;-6.75,-4.89,;-5.41,-4.12,;-5.41,-2.58,;-4.08,-1.81,;4.79,.21,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1 |(9.41,.21,;8.64,1.54,;9.41,2.88,;7.1,1.54,;6.33,.21,;4.79,.21,;4.02,1.54,;2.48,1.54,;1.71,.21,;.17,.21,;1.31,-1.07,;-.1,-.79,;-1.43,.72,;-2.94,.05,;-1.53,-.33,;-.83,2.04,;.65,1.59,;-2.89,1.19,;-4.04,.16,;-5.5,.64,;-6.75,-.27,;-7.99,.64,;-7.52,2.1,;-5.98,2.1,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;-6.75,-1.81,;-8.08,-2.58,;-9.41,-1.81,;-8.08,-4.12,;-6.75,-4.89,;-5.41,-4.12,;-5.41,-2.58,;-4.08,-1.81,;4.79,2.88,;6.33,2.88,)|
OC(=O)c1ccnc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)n1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1cncc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(9.03,-1.12,;7.49,-1.12,;6.72,-2.46,;6.72,.21,;7.49,1.54,;6.72,2.88,;5.18,2.88,;4.41,1.54,;2.87,1.54,;2.1,.21,;.56,.21,;1.69,-1.07,;.28,-.79,;-1.04,.72,;-2.55,.05,;-1.14,-.33,;-.44,2.04,;1.03,1.59,;-2.51,1.19,;-3.65,.16,;-5.11,.64,;-6.36,-.27,;-7.61,.64,;-7.13,2.1,;-5.59,2.1,;-4.69,3.35,;-3.35,4.12,;-4.69,4.89,;-6.36,-1.81,;-7.69,-2.58,;-9.03,-1.81,;-7.69,-4.12,;-6.36,-4.89,;-5.03,-4.12,;-5.03,-2.58,;-3.69,-1.81,;5.18,.21,)|
OC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)n1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1ccnc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1cncc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)n1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)n1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)nc1 |(9.41,.21,;8.64,1.54,;9.41,2.88,;7.1,1.54,;6.33,.21,;4.79,.21,;4.02,1.54,;2.48,1.54,;1.71,.21,;.17,.21,;1.31,-1.07,;-.1,-.79,;-1.43,.72,;-2.94,.05,;-1.53,-.33,;-.83,2.04,;.65,1.59,;-2.89,1.19,;-4.04,.16,;-5.5,.64,;-6.75,-.27,;-7.99,.64,;-7.52,2.1,;-5.98,2.1,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;-6.75,-1.81,;-8.08,-2.58,;-9.41,-1.81,;-8.08,-4.12,;-6.75,-4.89,;-5.41,-4.12,;-5.41,-2.58,;-4.08,-1.81,;4.79,2.88,;6.33,2.88,)|
OC(=O)c1ccc2cc(OCC34CCC(CC3)(CC4)OCc3c(noc3C3CC3)-c3c(Cl)cncc3Cl)ccc2n1 |(10.57,-1.12,;9.8,.21,;10.57,1.54,;8.26,.21,;7.49,-1.12,;5.95,-1.12,;5.18,.21,;3.64,.21,;2.87,1.54,;1.33,1.54,;.56,.21,;-.98,.21,;.15,-1.07,;-1.26,-.79,;-2.58,.72,;-4.09,.05,;-2.68,-.33,;-1.98,2.04,;-.51,1.59,;-4.05,1.19,;-5.19,.16,;-6.65,.64,;-7.9,-.27,;-9.15,.64,;-8.67,2.1,;-7.13,2.1,;-6.23,3.35,;-4.89,4.12,;-6.23,4.89,;-7.9,-1.81,;-9.23,-2.58,;-10.57,-1.81,;-9.23,-4.12,;-7.9,-4.89,;-6.57,-4.12,;-6.57,-2.58,;-5.23,-1.81,;3.64,2.88,;5.18,2.88,;5.95,1.54,;7.49,1.54,)|
OC(=O)Cc1ccccc1OCC12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(5.18,-3.79,;5.95,-2.46,;7.49,-2.46,;5.18,-1.12,;5.95,.21,;7.49,.21,;8.26,1.54,;7.49,2.88,;5.95,2.88,;5.18,1.54,;3.64,1.54,;2.87,.21,;1.33,.21,;2.46,-1.07,;1.05,-.79,;-.27,.72,;-1.78,.05,;-.37,-.33,;.33,2.04,;1.8,1.59,;-1.74,1.19,;-2.88,.16,;-4.34,.64,;-5.59,-.27,;-6.84,.64,;-6.36,2.1,;-4.82,2.1,;-3.92,3.35,;-2.58,4.12,;-3.92,4.89,;-5.59,-1.81,;-6.92,-2.58,;-8.26,-1.81,;-6.92,-4.12,;-5.59,-4.89,;-4.26,-4.12,;-4.26,-2.58,;-2.92,-1.81,)|
NC(=O)c1cccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)n1 |(9.03,3.88,;7.49,3.88,;6.72,5.22,;6.72,2.55,;7.49,1.22,;6.72,-.12,;5.18,-.12,;4.41,1.22,;2.87,1.22,;2.1,-.12,;.56,-.12,;1.69,-1.4,;.28,-1.12,;-1.04,.39,;-2.55,-.28,;-1.14,-.66,;-.44,1.72,;1.03,1.26,;-2.51,.86,;-3.65,-.17,;-5.11,.31,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-6.36,-2.14,;-7.69,-2.91,;-9.03,-2.14,;-7.69,-4.45,;-6.36,-5.22,;-5.03,-4.45,;-5.03,-2.91,;-3.69,-2.14,;5.18,2.55,)|
OC(=O)c1cnc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c(F)c1 |(9.41,.21,;8.64,1.54,;9.41,2.88,;7.1,1.54,;6.33,2.88,;4.79,2.88,;4.02,1.54,;2.48,1.54,;1.71,.21,;.17,.21,;1.31,-1.07,;-.1,-.79,;-1.43,.72,;-2.94,.05,;-1.53,-.33,;-.83,2.04,;.65,1.59,;-2.89,1.19,;-4.04,.16,;-5.5,.64,;-5.98,2.1,;-7.52,2.1,;-7.99,.64,;-6.75,-.27,;-6.75,-1.81,;-8.08,-2.58,;-9.41,-1.81,;-8.08,-4.12,;-6.75,-4.89,;-5.41,-4.12,;-5.41,-2.58,;-4.08,-1.81,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;4.79,.21,;4.02,-1.12,;6.33,.21,)|
COc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(COc3cc(C)c(cn3)C(O)=O)(CC1)CC2 |(-2.74,-2.58,;-4.08,-1.81,;-5.41,-2.58,;-5.41,-4.12,;-6.75,-4.89,;-8.08,-4.12,;-8.08,-2.58,;-9.41,-1.81,;-6.75,-1.81,;-6.75,-.27,;-7.99,.64,;-7.52,2.1,;-5.98,2.1,;-5.07,3.35,;-3.74,4.12,;-5.07,4.89,;-5.5,.64,;-4.04,.16,;-2.89,1.19,;-1.43,.72,;-.1,-.79,;1.31,-1.07,;.17,.21,;1.71,.21,;2.48,1.54,;4.02,1.54,;4.79,.21,;6.33,.21,;7.1,-1.12,;7.1,1.54,;6.33,2.88,;4.79,2.88,;8.64,1.54,;9.41,.21,;9.41,2.88,;-1.53,-.33,;-2.94,.05,;.65,1.59,;-.83,2.04,)|
COc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(COc3ccc(C)c(n3)C(O)=O)(CC1)CC2 |(-2.36,-2.91,;-3.69,-2.14,;-5.03,-2.91,;-5.03,-4.45,;-6.36,-5.22,;-7.69,-4.45,;-7.69,-2.91,;-9.03,-2.14,;-6.36,-2.14,;-6.36,-.6,;-7.61,.31,;-7.13,1.77,;-5.59,1.77,;-4.69,3.02,;-3.35,3.79,;-4.69,4.56,;-5.11,.31,;-3.65,-.17,;-2.51,.86,;-1.04,.39,;.28,-1.12,;1.69,-1.4,;.56,-.12,;2.1,-.12,;2.87,1.22,;4.41,1.22,;5.18,-.12,;6.72,-.12,;7.49,1.22,;9.03,1.22,;6.72,2.55,;5.18,2.55,;7.49,3.88,;6.72,5.22,;9.03,3.88,;-1.14,-.66,;-2.55,-.28,;1.03,1.26,;-.44,1.72,)|
NC(=O)c1cc(F)c2nc(sc2c1)C(O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.87,2.4,;8.53,1.63,;8.53,.09,;7.2,2.4,;7.2,3.94,;5.87,4.71,;5.87,6.25,;4.53,3.94,;3.07,4.42,;2.16,3.17,;3.07,1.93,;4.53,2.4,;5.87,1.63,;.62,3.17,;-.15,4.51,;-.15,1.84,;-1.69,1.84,;-2.46,.51,;-1.69,-.83,;-.15,-.83,;.62,.51,;-.46,-.38,;.02,.66,;-2.46,-2.16,;-4,-2.16,;-4.77,-3.5,;-4.14,-4.9,;-5.29,-5.93,;-6.62,-5.16,;-6.3,-3.66,;-7.33,-2.51,;-6.85,-1.05,;-5.35,-.73,;-7.88,.1,;-9.39,-.22,;-9.87,-1.69,;-8.84,-2.83,;-9.31,-4.3,;-2.64,-5.22,;-1.49,-6.25,;-1.17,-4.75,)|
OC(c1nc2ccc(cc2s1)C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(.15,-5.28,;-.62,-3.94,;-2.16,-3.94,;-3.07,-5.19,;-4.53,-4.71,;-5.87,-5.48,;-7.2,-4.71,;-7.2,-3.17,;-5.87,-2.4,;-4.53,-3.17,;-3.07,-2.7,;-8.53,-2.4,;-9.87,-3.17,;-8.53,-.86,;.15,-2.61,;1.69,-2.61,;2.46,-1.28,;1.69,.06,;.15,.06,;-.62,-1.28,;.46,-.39,;-.02,-1.43,;2.46,1.39,;4,1.39,;4.77,2.73,;4.14,4.13,;5.29,5.16,;6.62,4.39,;6.3,2.89,;7.33,1.74,;6.85,.28,;5.35,-.04,;7.88,-.87,;9.39,-.55,;9.87,.92,;8.84,2.06,;9.31,3.53,;2.64,4.45,;1.49,5.48,;1.17,3.98,)|
OC(c1ccc(cc1F)C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(4.18,-3.38,;3.41,-2.05,;4.18,-.71,;3.41,.62,;4.18,1.96,;5.72,1.96,;6.49,.62,;5.72,-.71,;6.49,-2.05,;6.49,3.29,;5.72,4.62,;8.03,3.29,;1.87,-2.05,;1.1,-3.38,;-.44,-3.38,;-1.21,-2.05,;-.44,-.71,;1.1,-.71,;-.12,-2.69,;.78,-2.69,;-2.75,-2.05,;-3.52,-.71,;-5.06,-.71,;-5.97,-1.96,;-7.43,-1.48,;-7.43,.06,;-5.97,.53,;-5.49,2,;-6.52,3.14,;-8.03,2.82,;-6.05,4.61,;-4.54,4.93,;-3.51,3.78,;-3.98,2.32,;-2.95,1.17,;-5.49,-3.42,;-5.81,-4.93,;-4.35,-4.45,)|
OC(c1ccc2cc(ccc2c1)C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(1.5,-4.06,;1.5,-2.52,;2.83,-1.75,;2.83,-.21,;4.17,.56,;5.5,-.21,;6.84,.56,;8.17,-.21,;8.17,-1.75,;6.84,-2.52,;5.5,-1.75,;4.17,-2.52,;9.5,.56,;10.84,-.21,;9.5,2.1,;.17,-1.75,;-1.17,-2.52,;-2.5,-1.75,;-2.5,-.21,;-1.17,.56,;.17,-.21,;-1.88,-1.32,;-1.1,-1.77,;-3.83,.56,;-5.17,-.21,;-6.5,.56,;-6.66,2.09,;-8.17,2.41,;-8.94,1.08,;-7.91,-.07,;-8.23,-1.57,;-9.69,-2.05,;-10.84,-1.02,;-10.01,-3.56,;-8.87,-4.59,;-7.4,-4.11,;-7.08,-2.6,;-5.62,-2.13,;-5.52,3.12,;-5.04,4.59,;-4.01,3.44,)|
OC(c1ccnc2cc(ccc12)C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.17,-3.17,;2.17,-1.63,;3.5,-.86,;3.5,.68,;4.84,1.45,;6.17,.68,;6.17,-.86,;7.5,-1.63,;7.5,-3.17,;6.17,-3.94,;4.84,-3.17,;4.84,-1.63,;8.84,-3.94,;8.84,-5.48,;10.17,-3.17,;.83,-.86,;-.5,-1.63,;-1.83,-.86,;-1.83,.68,;-.5,1.45,;.83,.68,;-1.21,-.42,;-.43,-.88,;-3.17,1.45,;-4.5,.68,;-5.83,1.45,;-5.99,2.98,;-7.5,3.3,;-8.27,1.97,;-7.24,.83,;-7.56,-.68,;-9.03,-1.16,;-10.17,-.13,;-9.35,-2.66,;-8.2,-3.69,;-6.74,-3.22,;-6.42,-1.71,;-4.95,-1.24,;-4.85,4.01,;-4.37,5.48,;-3.34,4.33,)|
OC(c1cccc(c1)C1(CC1)C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(3.02,-3.38,;2.25,-2.05,;3.02,-.71,;2.25,.62,;3.02,1.96,;4.56,1.96,;5.33,.62,;4.56,-.71,;6.87,.62,;8.21,1.39,;6.87,2.16,;7.64,-.71,;6.87,-2.05,;9.18,-.71,;.71,-2.05,;-.06,-3.38,;-1.6,-3.38,;-2.37,-2.05,;-1.6,-.71,;-.06,-.71,;-1.28,-2.69,;-.38,-2.69,;-3.91,-2.05,;-4.68,-.71,;-6.22,-.71,;-7.12,-1.96,;-8.59,-1.48,;-8.59,.06,;-7.12,.53,;-6.65,2,;-7.68,3.14,;-9.18,2.82,;-7.2,4.61,;-5.69,4.93,;-4.66,3.78,;-5.14,2.32,;-4.11,1.17,;-6.65,-3.42,;-6.97,-4.93,;-5.5,-4.45,)|
OC(=O)c1ccnc(c1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-7.26,-1.96,;-8.03,-.62,;-9.57,-.62,;-7.26,.71,;-8.03,2.05,;-7.26,3.38,;-5.72,3.38,;-4.95,2.05,;-5.72,.71,;-3.41,2.05,;-1.87,2.05,;-.33,2.05,;.44,3.38,;1.98,3.38,;2.75,2.05,;1.98,.71,;.44,.71,;1.66,2.69,;.76,2.69,;4.29,2.05,;5.06,.71,;6.6,.71,;7.51,1.96,;8.97,1.48,;8.97,-.06,;7.51,-.53,;7.03,-2,;8.06,-3.14,;9.57,-2.82,;7.59,-4.61,;6.08,-4.93,;5.05,-3.78,;5.52,-2.32,;4.49,-1.17,;7.03,3.42,;7.35,4.93,;5.89,4.45,)|
OC(=O)c1cc(F)c2nc(sc2c1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(11.11,1.18,;9.78,.41,;9.78,-1.13,;8.44,1.18,;8.44,2.72,;7.11,3.49,;7.11,5.03,;5.78,2.72,;4.31,3.19,;3.41,1.95,;4.31,.7,;5.78,1.18,;7.11,.41,;1.87,1.95,;.33,1.95,;-1.21,1.95,;-1.98,3.28,;-3.52,3.28,;-4.29,1.95,;-3.52,.61,;-1.98,.61,;-3.21,1.3,;-2.3,1.3,;-5.83,1.95,;-6.6,.61,;-8.14,.61,;-9.05,1.86,;-10.51,1.38,;-10.51,-.16,;-9.05,-.63,;-8.57,-2.1,;-9.6,-3.24,;-11.11,-2.92,;-9.13,-4.71,;-7.62,-5.03,;-6.59,-3.88,;-7.07,-2.42,;-6.04,-1.27,;-8.57,3.32,;-8.89,4.83,;-7.43,4.35,)|
OC(=O)c1ccc2nc(ccc2n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(8.73,4.81,;7.24,5.21,;6.85,6.7,;6.16,4.12,;6.55,2.63,;5.46,1.54,;3.98,1.94,;2.89,.85,;1.4,1.25,;1,2.74,;2.09,3.83,;3.58,3.43,;4.67,4.52,;.31,.16,;-1.32,-.56,;-2.13,-1.77,;-.55,-1.27,;-.55,.73,;.31,1.88,;.78,-1.87,;1.58,-.56,;-1.32,-2.61,;-2.86,-2.61,;-3.63,-3.94,;-5.16,-4.1,;-5.48,-5.61,;-4.15,-6.38,;-3.01,-5.35,;-1.5,-5.67,;-.36,-6.7,;-.04,-5.19,;-6.19,-2.96,;-5.72,-1.49,;-4.18,-1.49,;-6.75,-.35,;-8.26,-.67,;-8.73,-2.13,;-7.7,-3.28,;-8.18,-4.74,)|
OC(=O)c1ccnc(c1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(7.5,5.86,;6.17,5.09,;4.84,5.86,;6.17,3.55,;7.5,2.78,;7.5,1.24,;6.17,.47,;4.84,1.24,;4.84,2.78,;3.5,.47,;3.5,-1.07,;2.17,-1.84,;.83,-1.07,;.83,.47,;2.17,1.24,;2.1,-1.08,;2.88,-.63,;-.5,-1.84,;-1.83,-1.07,;-3.17,-1.84,;-4.57,-1.21,;-5.6,-2.35,;-4.83,-3.69,;-3.33,-3.37,;-2.18,-4.4,;-1.71,-5.86,;-.68,-4.72,;-4.89,.3,;-6.36,.77,;-7.5,-.26,;-6.68,2.28,;-5.53,3.31,;-4.07,2.83,;-3.75,1.33,;-2.28,.85,)|
OC(=O)c1ccc(nc1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(8.84,3.17,;7.5,3.94,;7.5,5.48,;6.17,3.17,;4.84,3.94,;3.5,3.17,;3.5,1.63,;4.84,.86,;6.17,1.63,;2.17,.86,;2.17,-.68,;.83,-1.45,;-.5,-.68,;-.5,.86,;.83,1.63,;.77,-.7,;1.55,-.25,;-1.83,-1.45,;-3.17,-.68,;-4.5,-1.45,;-5.91,-.83,;-6.94,-1.97,;-6.17,-3.3,;-4.66,-2.98,;-3.52,-4.01,;-3.04,-5.48,;-2.01,-4.33,;-6.23,.68,;-7.69,1.16,;-8.84,.13,;-8.01,2.66,;-6.87,3.69,;-5.4,3.22,;-5.08,1.71,;-3.62,1.24,)|
OC(=O)c1ccc2CN(CCc2c1)C(=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.51,-2.1,;9.51,-.56,;10.85,.21,;8.18,.21,;8.18,1.75,;6.84,2.52,;5.51,1.75,;4.18,2.52,;2.83,1.75,;2.84,.21,;4.18,-.56,;5.51,.21,;6.84,-.56,;1.49,2.52,;1.49,4.06,;.16,1.75,;.16,.21,;-1.17,-.56,;-2.51,.21,;-2.51,1.75,;-1.17,2.52,;-1.24,.19,;-.46,.64,;-3.84,-.56,;-5.18,.21,;-6.51,-.56,;-6.67,-2.09,;-8.18,-2.41,;-8.95,-1.08,;-7.92,.07,;-8.24,1.57,;-9.7,2.05,;-10.85,1.02,;-10.02,3.56,;-8.88,4.59,;-7.41,4.11,;-7.09,2.6,;-5.63,2.13,;-5.53,-3.12,;-5.05,-4.59,;-4.02,-3.44,)|
OC(=O)c1ccc(CNC(=O)C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(9.51,-2.1,;9.51,-.56,;10.85,.21,;8.18,.21,;6.84,-.56,;5.51,.21,;5.51,1.75,;4.18,2.52,;2.83,1.75,;1.49,2.52,;1.49,4.06,;.16,1.75,;.16,.21,;-1.17,-.56,;-2.51,.21,;-2.51,1.75,;-1.17,2.52,;-1.24,.19,;-.46,.64,;-3.84,-.56,;-5.18,.21,;-6.51,-.56,;-6.67,-2.09,;-8.18,-2.41,;-8.95,-1.08,;-7.92,.07,;-8.24,1.57,;-9.7,2.05,;-10.85,1.02,;-10.02,3.56,;-8.88,4.59,;-7.41,4.11,;-7.09,2.6,;-5.63,2.13,;-5.53,-3.12,;-5.05,-4.59,;-4.02,-3.44,;6.84,2.52,;8.18,1.75,)|
OC(=O)c1ccccc1CNC(=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.51,4.71,;8.18,3.94,;6.84,4.71,;8.18,2.4,;9.51,1.63,;9.51,.09,;8.18,-.68,;6.84,.09,;6.84,1.63,;5.51,2.4,;4.16,1.63,;2.83,2.4,;2.83,3.94,;1.49,1.63,;1.49,.09,;.16,-.68,;-1.17,.09,;-1.17,1.63,;.16,2.4,;.09,.07,;.87,.52,;-2.51,-.68,;-3.84,.09,;-5.18,-.68,;-5.34,-2.21,;-6.84,-2.53,;-7.61,-1.2,;-6.58,-.06,;-6.9,1.45,;-8.37,1.93,;-9.51,.9,;-8.69,3.43,;-7.54,4.46,;-6.08,3.99,;-5.76,2.48,;-4.29,2.01,;-4.19,-3.24,;-3.72,-4.71,;-2.69,-3.56,)|
OC(=O)c1cccc(CNC(=O)C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(10.85,1.75,;9.51,2.52,;9.51,4.06,;8.18,1.75,;8.18,.21,;6.84,-.56,;5.51,.21,;5.51,1.75,;4.18,2.52,;2.83,1.75,;1.49,2.52,;1.49,4.06,;.16,1.75,;.16,.21,;-1.17,-.56,;-2.51,.21,;-2.51,1.75,;-1.17,2.52,;-1.24,.19,;-.46,.64,;-3.84,-.56,;-5.18,.21,;-6.51,-.56,;-6.67,-2.09,;-8.18,-2.41,;-8.95,-1.08,;-7.92,.07,;-8.24,1.57,;-9.7,2.05,;-10.85,1.02,;-10.02,3.56,;-8.88,4.59,;-7.41,4.11,;-7.09,2.6,;-5.63,2.13,;-5.53,-3.12,;-5.05,-4.59,;-4.02,-3.44,;6.84,2.52,)|
CN(Cc1ccccc1C(O)=O)C(=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(4.16,.09,;4.16,1.63,;5.51,2.4,;6.84,1.63,;6.84,.09,;8.18,-.68,;9.51,.09,;9.51,1.63,;8.18,2.4,;8.18,3.94,;9.51,4.71,;6.84,4.71,;2.83,2.4,;2.83,3.94,;1.49,1.63,;1.49,.09,;.16,-.68,;-1.17,.09,;-1.17,1.63,;.16,2.4,;.09,.07,;.87,.52,;-2.51,-.68,;-3.84,.09,;-5.18,-.68,;-5.34,-2.21,;-6.84,-2.53,;-7.61,-1.2,;-6.58,-.06,;-6.9,1.45,;-8.37,1.93,;-9.51,.9,;-8.69,3.43,;-7.54,4.46,;-6.08,3.99,;-5.76,2.48,;-4.29,2.01,;-4.19,-3.24,;-3.72,-4.71,;-2.69,-3.56,)|
OC(=O)CC1CCN(CC1)C(=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(10.17,-.56,;8.84,.21,;8.84,1.75,;7.5,-.56,;6.17,.21,;4.84,-.56,;3.5,.21,;3.5,1.75,;4.85,2.52,;6.17,1.75,;2.17,2.52,;2.17,4.06,;.83,1.75,;.83,.21,;-.5,-.56,;-1.83,.21,;-1.83,1.75,;-.5,2.52,;-.57,.19,;.22,.64,;-3.17,-.56,;-4.5,.21,;-5.83,-.56,;-5.99,-2.09,;-7.5,-2.41,;-8.27,-1.08,;-7.24,.07,;-7.56,1.57,;-9.03,2.05,;-10.17,1.02,;-9.35,3.56,;-8.2,4.59,;-6.74,4.11,;-6.42,2.6,;-4.95,2.13,;-4.85,-3.12,;-4.37,-4.59,;-3.34,-3.44,)|
OC(=O)c1cccc2CCN(Cc12)C(=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.5,4.71,;8.17,3.94,;6.84,4.71,;8.17,2.4,;9.5,1.63,;9.5,.09,;8.17,-.68,;6.84,.09,;5.5,-.68,;4.17,.09,;4.17,1.63,;5.52,2.4,;6.84,1.63,;2.83,2.4,;2.83,3.94,;1.5,1.63,;1.5,.09,;.17,-.68,;-1.17,.09,;-1.17,1.63,;.17,2.4,;.1,.07,;.88,.52,;-2.5,-.68,;-3.83,.09,;-5.17,-.68,;-5.33,-2.21,;-6.83,-2.53,;-7.6,-1.2,;-6.57,-.06,;-6.89,1.45,;-8.36,1.93,;-9.5,.9,;-8.68,3.43,;-7.53,4.46,;-6.07,3.99,;-5.75,2.48,;-4.29,2.01,;-4.18,-3.24,;-3.71,-4.71,;-2.68,-3.56,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(CC1)CC2 |(10.02,3.67,;8.94,4.76,;9.33,6.24,;7.45,4.36,;7.05,2.87,;5.56,2.47,;4.47,3.56,;4.87,5.05,;6.36,5.45,;2.98,3.16,;2.08,4.41,;.62,3.93,;.62,2.39,;2.08,1.92,;-.72,1.62,;-2.35,.9,;-3.16,-.31,;-1.58,.18,;-1.58,-1.36,;-2.92,-2.13,;-4.25,-1.36,;-5.58,-2.13,;-7.05,-1.65,;-7.95,-2.9,;-7.05,-4.14,;-5.58,-3.67,;-4.5,-4.76,;-4.1,-6.24,;-3.01,-5.15,;-7.45,-.16,;-8.94,.24,;-10.02,-.85,;-9.33,1.72,;-8.24,2.81,;-6.76,2.41,;-6.36,.93,;-4.87,.53,;-1.58,2.19,;-.72,3.33,;-.25,-.41,;.55,.9,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3ccccc3OC(F)(F)F)(CC1)CC2
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3ccccc3OC(F)(F)F)(CC1)CC2
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3ccccc3OC(F)(F)F)(CC1)CC2
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(CC1)CC2 |(9.63,2.18,;10.02,3.67,;8.94,4.76,;9.33,6.24,;7.45,4.36,;7.05,2.87,;5.56,2.47,;4.47,3.56,;4.87,5.05,;6.36,5.45,;2.98,3.16,;2.08,4.41,;.62,3.93,;.62,2.39,;2.08,1.92,;-.72,1.62,;-2.35,.9,;-3.16,-.31,;-1.58,.18,;-1.58,-1.36,;-2.92,-2.13,;-4.25,-1.36,;-5.58,-2.13,;-7.05,-1.65,;-7.95,-2.9,;-7.05,-4.14,;-5.58,-3.67,;-4.5,-4.76,;-4.1,-6.24,;-3.01,-5.15,;-7.45,-.16,;-8.94,.24,;-10.02,-.85,;-9.33,1.72,;-8.24,2.81,;-6.76,2.41,;-6.36,.93,;-4.87,.53,;-1.58,2.19,;-.72,3.33,;-.25,-.41,;.55,.9,)|
COC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)C=Cc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(10.58,.64,;9.5,1.73,;8.01,1.33,;7.61,-.16,;6.92,2.42,;7.32,3.91,;6.23,5,;4.74,4.6,;4.34,3.11,;5.43,2.02,;2.85,2.71,;1.95,3.96,;.49,3.48,;.49,1.94,;1.95,1.47,;-.85,1.17,;-2.48,.45,;-3.29,-.76,;-1.71,-.27,;-1.71,1.74,;-.85,2.88,;-.38,-.86,;.42,.45,;-2.8,-1.35,;-4.29,-.96,;-5.38,-2.04,;-6.92,-2.04,;-7.39,-3.51,;-6.15,-4.41,;-4.9,-3.51,;-3.42,-3.91,;-2.33,-5,;-1.93,-3.51,;-8.01,-.96,;-9.5,-1.35,;-9.89,-2.84,;-10.58,-.27,;-10.19,1.22,;-8.7,1.62,;-7.61,.53,;-6.12,.93,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.95,3.26,;8.86,4.35,;9.26,5.84,;7.37,3.95,;6.97,2.47,;5.48,2.07,;4.39,3.16,;4.79,4.64,;6.28,5.04,;2.91,2.76,;2,4,;.54,3.53,;.54,1.99,;2,1.51,;-.8,1.22,;-2.43,.5,;-3.24,-.72,;-1.66,-.22,;-1.66,1.78,;-.8,2.93,;-.33,-.82,;.47,.5,;-2.43,-1.55,;-3.97,-1.55,;-4.74,-2.89,;-4.27,-4.35,;-5.51,-5.26,;-6.76,-4.35,;-6.28,-2.89,;-7.37,-1.8,;-8.86,-2.2,;-9.26,-3.68,;-9.95,-1.11,;-9.55,.38,;-8.06,.78,;-6.97,-.31,;-5.48,.09,;-2.78,-4.75,;-1.69,-5.84,;-1.29,-4.35,)|
COC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)C=Cc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.55,1.78,;9.95,3.26,;8.86,4.35,;9.26,5.84,;7.37,3.95,;6.97,2.47,;5.48,2.07,;4.39,3.16,;4.79,4.64,;6.28,5.04,;2.91,2.76,;2,4,;.54,3.53,;.54,1.99,;2,1.51,;-.8,1.22,;-2.43,.5,;-3.24,-.72,;-1.66,-.22,;-1.66,1.78,;-.8,2.93,;-.33,-.82,;.47,.5,;-2.43,-1.55,;-3.97,-1.55,;-4.74,-2.89,;-6.28,-2.89,;-6.76,-4.35,;-5.51,-5.26,;-4.27,-4.35,;-2.78,-4.75,;-1.69,-5.84,;-1.29,-4.35,;-7.37,-1.8,;-8.86,-2.2,;-9.26,-3.68,;-9.95,-1.11,;-9.55,.38,;-8.06,.78,;-6.97,-.31,;-5.48,.09,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)\C=C/c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(10.56,2.29,;9.47,3.37,;9.87,4.86,;7.98,2.98,;7.59,1.49,;6.1,1.09,;5.01,2.18,;5.41,3.67,;6.89,4.07,;3.52,1.78,;2.62,3.03,;1.15,2.55,;1.15,1.01,;2.62,.53,;-.18,.24,;-1.82,-.48,;-2.62,-1.69,;-1.05,-1.2,;-1.05,.81,;-.18,1.95,;.28,-1.79,;1.09,-.48,;-1.82,-2.53,;-4.58,-2.53,;-5.35,-1.2,;-4.88,.27,;-6.12,1.17,;-7.37,.27,;-6.89,-1.2,;-7.98,-2.29,;-9.47,-1.89,;-9.87,-.4,;-10.56,-2.98,;-10.16,-4.46,;-8.67,-4.86,;-7.59,-3.77,;-6.1,-4.17,;-3.39,.67,;-1.9,.27,;-2.3,1.76,)|
COC(=O)c1ccc(NC(=O)C23CCC(COCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)(CC2)CC3)c(Cl)c1 |(9.94,5.05,;8.61,4.28,;7.27,5.05,;7.27,6.59,;5.94,4.28,;4.61,5.05,;3.27,4.28,;3.27,2.74,;1.94,1.97,;.45,2.37,;.05,3.85,;-.64,1.28,;-2.27,.56,;-3.08,-.66,;-1.5,-.16,;-1.5,-1.7,;-2.84,-2.47,;-4.17,-1.7,;-5.5,-2.47,;-5.5,-4.01,;-6.97,-4.49,;-7.87,-3.24,;-6.97,-1.99,;-7.37,-.51,;-8.85,-.11,;-9.94,-1.2,;-9.25,1.38,;-8.16,2.47,;-6.68,2.07,;-6.28,.58,;-4.79,.18,;-4.41,-5.1,;-4.01,-6.59,;-2.93,-5.5,;-1.5,1.84,;-.64,2.99,;-.17,-.76,;.63,.56,;4.61,1.97,;4.61,.43,;5.94,2.74,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CNc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(CC1)CC2 |(9.95,3.26,;8.86,4.35,;9.26,5.84,;7.37,3.95,;6.97,2.47,;5.48,2.07,;4.39,3.16,;4.79,4.64,;6.28,5.04,;2.91,2.76,;2,4,;.54,3.53,;.54,1.99,;2,1.51,;-.8,1.22,;-2.43,.5,;-3.24,-.72,;-1.66,-.22,;-2.43,-1.55,;-3.97,-1.55,;-4.74,-2.89,;-6.28,-2.89,;-6.76,-4.35,;-5.51,-5.26,;-4.27,-4.35,;-2.78,-4.75,;-1.69,-5.84,;-1.29,-4.35,;-7.37,-1.8,;-8.86,-2.2,;-9.26,-3.68,;-9.95,-1.11,;-9.55,.38,;-8.06,.78,;-6.97,-.31,;-5.48,.09,;-1.66,1.78,;-.8,2.93,;-.33,-.82,;.47,.5,)|
COC(=O)c1ccc(NC(=S)C23CCC(COCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)(CC2)CC3)c(Cl)c1 |(9.41,6.4,;8.32,5.31,;6.83,5.71,;6.43,7.2,;5.74,4.62,;4.25,5.02,;3.17,3.93,;3.56,2.44,;2.48,1.36,;.99,1.75,;.59,3.24,;-.1,.66,;-1.74,-.06,;-2.54,-1.27,;-.97,-.77,;-.97,-2.31,;-2.3,-3.08,;-3.63,-2.31,;-4.97,-3.08,;-4.97,-4.62,;-6.43,-5.1,;-7.34,-3.85,;-6.43,-2.61,;-6.83,-1.12,;-8.32,-.72,;-9.41,-1.81,;-8.72,.77,;-7.63,1.86,;-6.14,1.46,;-5.74,-.03,;-4.25,-.43,;-3.88,-5.71,;-3.48,-7.2,;-2.39,-6.11,;-.97,1.23,;-.1,2.38,;.36,-1.37,;1.17,-.06,;5.05,2.05,;5.45,.56,;6.14,3.13,)|
OC(=O)c1cccc(NC(=O)C23CCC(COCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)(CC2)CC3)c1Cl |(9.06,4.91,;7.97,3.82,;8.37,2.34,;6.49,4.22,;6.09,5.71,;4.6,6.11,;3.51,5.02,;3.91,3.53,;2.82,2.44,;1.33,2.84,;.93,4.33,;.24,1.75,;-1.39,1.03,;-2.2,-.18,;-.62,.32,;-.62,-1.22,;-1.95,-1.99,;-3.29,-1.22,;-4.62,-1.99,;-4.62,-3.53,;-6.09,-4.01,;-6.99,-2.76,;-6.09,-1.52,;-6.49,-.03,;-7.97,.37,;-9.06,-.72,;-8.37,1.86,;-7.28,2.95,;-5.8,2.55,;-5.4,1.06,;-3.91,.66,;-3.53,-4.62,;-3.13,-6.11,;-2.05,-5.02,;-.62,2.32,;.24,3.47,;.71,-.28,;1.51,1.03,;5.4,3.13,;5.8,1.65,)|
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)C=Cc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)C=Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(3.97,5.19,;5.51,5.19,;6.28,6.52,;6.28,3.86,;7.82,3.86,;8.59,2.52,;7.82,1.19,;6.28,1.19,;5.25,.05,;3.85,.67,;4.01,2.2,;5.51,2.52,;2.51,-.1,;2.51,-1.64,;1.18,-2.41,;-.15,-1.64,;-.15,-.1,;1.18,.67,;.4,-.69,;1.48,-.06,;-1.49,-2.41,;-2.82,-1.64,;-4.15,-2.41,;-4.15,-3.95,;-5.62,-4.42,;-6.52,-3.18,;-5.62,-1.93,;-6.02,-.44,;-7.51,-.05,;-8.59,-1.14,;-7.9,1.44,;-6.82,2.53,;-5.33,2.13,;-4.93,.64,;-3.44,.25,;-3.07,-5.04,;-2.67,-6.52,;-1.58,-5.44,)|
OC(=O)c1cccc(NC(=O)C23CCC(CC2)(CC3)C=Cc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1Cl |(6.22,5.91,;7.55,5.14,;8.89,5.91,;7.55,3.6,;8.89,2.83,;8.89,1.29,;7.55,.52,;6.22,1.29,;4.89,.52,;3.55,1.29,;3.55,2.83,;2.22,.52,;2.22,-1.02,;.89,-1.79,;-.45,-1.02,;-.45,.52,;.89,1.29,;.32,.31,;1.41,-.78,;-1.78,-1.79,;-3.11,-1.02,;-4.45,-1.79,;-5.91,-1.32,;-6.82,-2.56,;-5.91,-3.81,;-4.45,-3.33,;-3.36,-4.42,;-2.96,-5.91,;-1.87,-4.82,;-6.31,.17,;-7.8,.57,;-8.89,-.52,;-8.2,2.06,;-7.11,3.15,;-5.62,2.75,;-5.22,1.26,;-3.74,.86,;6.22,2.83,;4.89,3.6,)|
COC(=O)c1cccc(NC(=O)C23CCC(CC2)(CC3)C=Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(6.22,6.68,;6.22,5.14,;7.55,4.37,;8.89,5.14,;7.55,2.83,;8.89,2.06,;8.89,.52,;7.55,-.25,;6.22,.52,;4.89,-.25,;3.55,.52,;3.55,2.06,;2.22,-.25,;2.22,-1.79,;.89,-2.56,;-.45,-1.79,;-.45,-.25,;.89,.52,;.32,-.46,;1.41,-1.55,;-1.78,-2.56,;-3.11,-1.79,;-4.45,-2.56,;-4.45,-4.1,;-5.91,-4.58,;-6.82,-3.33,;-5.91,-2.09,;-6.31,-.6,;-7.8,-.2,;-8.89,-1.29,;-8.2,1.29,;-7.11,2.38,;-5.62,1.98,;-5.22,.49,;-3.74,.09,;-3.36,-5.19,;-2.96,-6.68,;-1.87,-5.59,;6.22,2.06,)|
OC(=O)c1cccc(NC(=O)C23CCC(CC2)(CC3)C=Cc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(6.22,5.91,;7.55,5.14,;8.89,5.91,;7.55,3.6,;8.89,2.83,;8.89,1.29,;7.55,.52,;6.22,1.29,;4.89,.52,;3.55,1.29,;3.55,2.83,;2.22,.52,;2.22,-1.02,;.89,-1.79,;-.45,-1.02,;-.45,.52,;.89,1.29,;.32,.31,;1.41,-.78,;-1.78,-1.79,;-3.11,-1.02,;-4.45,-1.79,;-5.91,-1.32,;-6.82,-2.56,;-5.91,-3.81,;-4.45,-3.33,;-3.36,-4.42,;-2.96,-5.91,;-1.87,-4.82,;-6.31,.17,;-7.8,.57,;-8.89,-.52,;-8.2,2.06,;-7.11,3.15,;-5.62,2.75,;-5.22,1.26,;-3.74,.86,;6.22,2.83,)|
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)C=Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(3.97,5.19,;5.51,5.19,;6.28,6.52,;6.28,3.86,;7.82,3.86,;8.59,2.52,;7.82,1.19,;6.28,1.19,;5.25,.05,;3.85,.67,;4.01,2.2,;5.51,2.52,;2.51,-.1,;2.51,-1.64,;1.18,-2.41,;-.15,-1.64,;-.15,-.1,;1.18,.67,;.16,-.54,;1.21,.11,;-1.49,-2.41,;-2.82,-1.64,;-4.15,-2.41,;-4.15,-3.95,;-5.62,-4.42,;-6.52,-3.18,;-5.62,-1.93,;-6.02,-.44,;-7.51,-.05,;-8.59,-1.14,;-7.9,1.44,;-6.82,2.53,;-5.33,2.13,;-4.93,.64,;-3.44,.25,;-3.07,-5.04,;-2.67,-6.52,;-1.58,-5.44,)|
OC(=O)c1cc(F)c2nc(OCC34CCC(CC3)(CC4)C=Cc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)sc2c1 |(11.08,4.52,;10.31,3.19,;11.08,1.86,;8.77,3.19,;8,4.52,;6.46,4.52,;5.69,5.86,;5.69,3.19,;4.19,2.87,;4.03,1.34,;2.69,.57,;1.36,1.34,;.02,.57,;.02,-.97,;-1.31,-1.74,;-2.64,-.97,;-2.64,.57,;-1.31,1.34,;-1.87,.36,;-.78,-.73,;-3.98,-1.74,;-5.31,-.97,;-6.64,-1.74,;-6.64,-3.28,;-8.11,-3.76,;-9.01,-2.51,;-8.11,-1.27,;-8.51,.22,;-9.99,.62,;-11.08,-.47,;-10.39,2.11,;-9.3,3.2,;-7.82,2.8,;-7.42,1.31,;-5.93,.91,;-5.55,-4.37,;-5.16,-5.86,;-4.07,-4.77,;5.43,.71,;6.46,1.86,;8,1.86,)|
OC(=O)c1ccc2nc(OCC34CCC(CC3)(CC4)C=Cc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)sc2c1 |(11.08,5.19,;10.31,3.86,;11.08,2.52,;8.77,3.86,;8,5.19,;6.46,5.19,;5.69,3.86,;4.19,3.54,;4.03,2.01,;2.69,1.24,;1.36,2.01,;.02,1.24,;.02,-.3,;-1.31,-1.07,;-2.64,-.3,;-2.64,1.24,;-1.31,2.01,;-1.87,1.03,;-.78,-.06,;-3.98,-1.07,;-5.31,-.3,;-6.64,-1.07,;-6.64,-2.61,;-8.11,-3.09,;-9.01,-1.84,;-8.11,-.6,;-8.51,.89,;-9.99,1.29,;-11.08,.2,;-10.39,2.77,;-9.3,3.86,;-7.82,3.47,;-7.42,1.98,;-5.93,1.58,;-5.55,-3.7,;-5.16,-5.19,;-4.07,-4.1,;5.43,1.38,;6.46,2.52,;8,2.52,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(8.96,-6.22,;8.96,-4.68,;10.3,-3.91,;7.63,-3.91,;6.29,-4.68,;4.96,-3.91,;4.96,-2.37,;6.29,-1.6,;7.63,-2.37,;3.63,-1.6,;3.63,-.06,;2.16,.42,;1.26,-.83,;2.16,-2.07,;-.28,-.83,;-1.05,-2.16,;-2.59,-2.16,;-3.36,-.83,;-2.26,-1.46,;-1.1,-1.46,;-2.59,.51,;-1.05,.51,;-4.9,-.83,;-5.67,.51,;-7.21,.51,;-8.12,-.74,;-9.58,-.26,;-9.58,1.28,;-8.12,1.75,;-7.72,3.24,;-8.81,4.33,;-10.3,3.93,;-8.41,5.82,;-6.92,6.22,;-5.83,5.13,;-6.23,3.64,;-5.14,2.55,;-7.72,-2.23,;-8.12,-3.71,;-6.63,-3.31,)|
OC(=O)c1cc(ccc1F)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(10.3,-3.14,;8.96,-2.37,;8.96,-.83,;7.63,-3.14,;6.29,-2.37,;4.96,-3.14,;4.96,-4.68,;6.29,-5.45,;7.63,-4.68,;8.96,-5.45,;3.63,-2.37,;3.63,-.83,;2.16,-.35,;1.26,-1.6,;2.16,-2.84,;-.28,-1.6,;-1.05,-2.93,;-2.59,-2.93,;-3.36,-1.6,;-2.26,-2.23,;-1.1,-2.23,;-2.59,-.26,;-1.05,-.26,;-4.9,-1.6,;-5.67,-.26,;-7.21,-.26,;-8.12,-1.51,;-9.58,-1.03,;-9.58,.51,;-8.12,.98,;-7.72,2.47,;-8.81,3.56,;-10.3,3.16,;-8.41,5.05,;-6.92,5.45,;-5.83,4.36,;-6.23,2.87,;-5.14,1.78,;-7.72,-3,;-8.12,-4.48,;-6.63,-4.08,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1cccc(\C=C\C23CCC(COCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)(CC2)CO3)c1 |(10.69,2.81,;9.15,2.81,;8.38,4.14,;8.38,1.48,;9.15,.14,;8.38,-1.19,;6.84,-1.19,;6.07,.14,;4.53,.14,;3.76,-1.19,;2.22,-1.19,;1.45,-2.53,;-.09,-2.53,;-.86,-1.19,;-2.4,-1.19,;-3.17,.14,;-4.71,.14,;-5.48,-1.19,;-5.01,-2.66,;-6.25,-3.56,;-7.5,-2.66,;-7.02,-1.19,;-8.11,-.1,;-9.6,-.5,;-10,-1.99,;-10.69,.59,;-10.29,2.08,;-8.8,2.47,;-7.71,1.39,;-6.23,1.78,;-3.52,-3.05,;-2.43,-4.14,;-2.03,-2.66,;-.09,.14,;1.45,.14,;-.12,-1.93,;1.37,-1.93,;6.84,1.48,)|
OC(=O)c1ccc(cc1)C12CCC(COCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2
OC(=O)c1cc(ccc1F)C12CCC(COCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2
OC(=O)c1cccc(c1)C12CCC(COCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)(CC1)CO2
OC(=O)c1ccc(cc1)C12CCC(COCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)(CC1)CO2
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1
OC(=O)c1cc(ccc1F)C12CCC(COCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)(CC1)CO2
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2 |(11.74,-2.22,;10.41,-2.99,;10.41,-4.53,;9.07,-2.22,;7.74,-2.99,;6.41,-2.22,;6.41,-.68,;7.74,.09,;9.07,-.68,;5.07,.09,;5.07,1.63,;3.61,2.11,;2.7,.86,;3.61,-.38,;1.16,.86,;.39,2.2,;-1.15,2.2,;-1.92,.86,;-3.46,.86,;-4.23,2.2,;-5.77,2.2,;-6.54,.86,;-6.06,-.6,;-7.31,-1.51,;-8.55,-.6,;-8.08,.86,;-9.17,1.95,;-10.65,1.55,;-11.05,.07,;-11.74,2.64,;-11.34,4.13,;-9.86,4.53,;-8.77,3.44,;-7.28,3.84,;-4.57,-1,;-3.48,-2.09,;-3.09,-.6,;-1.13,1.65,;.45,1.65,;-1.15,-.47,;.39,-.47,)|
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |(8.61,-6.22,;8.61,-4.68,;9.94,-3.91,;7.27,-3.91,;5.94,-4.68,;4.6,-3.91,;4.6,-2.37,;5.94,-1.6,;7.27,-2.37,;3.27,-1.6,;3.27,-.06,;1.81,.42,;.9,-.83,;1.81,-2.07,;-.64,-.83,;-1.26,-2.31,;-3.1,-2.31,;-3.72,-.83,;-2.95,.51,;-1.41,.51,;-2.81,-1.74,;-1.56,-1.74,;-5.26,-.83,;-6.03,.51,;-7.57,.51,;-8.47,-.74,;-9.94,-.26,;-9.94,1.28,;-8.47,1.75,;-8.08,3.24,;-9.16,4.33,;-8.77,5.82,;-7.28,6.22,;-6.19,5.13,;-6.55,3.6,;-5.46,2.51,;-3.97,2.91,;-2.49,3.31,;-3.57,1.42,;-4.37,4.4,;-8.08,-2.23,;-8.47,-3.71,;-6.99,-3.31,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(COCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)(CC1)CO2
OC(=O)c1csc(n1)C12CCC(COCc3c(onc3-c3ccccc3OC(F)(F)F)C3CC3)(CC1)CO2
CS(=O)(=O)NC(=O)c1cccc(c1)C12CCC(COCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2
OC(=O)c1csc(n1)C12CCC(COCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2 |(9.74,-1.06,;8.41,-1.83,;8.41,-3.37,;7.07,-1.06,;7.07,.48,;5.61,.95,;4.7,-.29,;5.61,-1.54,;3.17,-.29,;2.4,-1.63,;.86,-1.63,;.09,-.29,;-1.45,-.29,;-2.22,1.04,;-3.76,1.04,;-4.53,-.29,;-4.06,-1.76,;-5.3,-2.66,;-6.55,-1.76,;-6.07,-.29,;-7.16,.8,;-6.76,2.28,;-5.28,2.68,;-7.85,3.37,;-9.34,2.97,;-9.74,1.49,;-8.65,.4,;-9.05,-1.09,;-2.57,-2.16,;-1.48,-3.24,;-1.08,-1.76,;.86,1.04,;2.4,1.04,;.92,-1.12,;2.22,-1.12,)|
COC(=O)c1ccc(cc1)C12CCC(CNc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)(CC1)CO2
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |(9.95,3.26,;8.86,4.35,;9.26,5.84,;7.37,3.95,;6.97,2.47,;5.48,2.07,;4.39,3.16,;4.79,4.64,;6.28,5.04,;2.91,2.76,;2,4,;.54,3.53,;.54,1.99,;2,1.51,;-.8,1.22,;-2.43,.5,;-3.24,-.72,;-1.66,-.22,;-1.66,1.78,;-.8,2.93,;-.33,-.82,;.47,.5,;-2.43,-1.55,;-3.97,-1.55,;-4.74,-2.89,;-6.28,-2.89,;-6.76,-4.35,;-5.51,-5.26,;-4.27,-4.35,;-2.78,-4.75,;-1.69,-5.84,;-1.29,-4.35,;-7.37,-1.8,;-8.86,-2.2,;-9.26,-3.68,;-9.95,-1.11,;-9.55,.38,;-8.06,.78,;-6.97,-.31,;-5.48,.09,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccccc1OC(F)(F)F
OC(=O)c1ccc(cc1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(CC1)CC2 |(9.9,3.83,;8.81,4.91,;9.21,6.4,;7.33,4.52,;6.93,3.03,;5.44,2.63,;4.35,3.72,;4.75,5.21,;6.24,5.61,;2.86,3.32,;1.96,4.57,;.49,4.09,;.49,2.55,;1.96,2.07,;-.6,1.46,;-2.23,.74,;-3.04,-.47,;-1.46,.02,;-1.46,-1.52,;-2.79,-2.29,;-4.13,-1.52,;-5.46,-2.29,;-6.93,-1.81,;-7.83,-3.06,;-6.93,-4.3,;-5.46,-3.83,;-4.37,-4.91,;-3.97,-6.4,;-2.89,-5.31,;-7.33,-.32,;-8.81,.08,;-9.9,-1.01,;-9.21,1.56,;-8.12,2.65,;-6.63,2.25,;-6.24,.77,;-4.75,.37,;-1.46,2.03,;-.6,3.17,;-.13,-.57,;.67,.74,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(COCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(CC1)CC2 |(9.7,2.74,;8.21,2.34,;7.82,.85,;7.13,3.43,;7.52,4.91,;6.44,6,;4.95,5.61,;4.55,4.12,;5.64,3.03,;3.06,3.72,;2.16,4.96,;.69,4.49,;.69,2.95,;2.16,2.47,;-.4,1.86,;-2.03,1.14,;-2.84,-.08,;-1.26,.42,;-1.26,-1.12,;-2.6,-1.89,;-3.93,-1.12,;-5.26,-1.89,;-6.73,-1.41,;-7.63,-2.66,;-6.73,-3.9,;-5.26,-3.43,;-4.17,-4.52,;-3.78,-6,;-2.69,-4.91,;-7.13,.08,;-8.61,.47,;-9.7,-.61,;-9.01,1.96,;-7.92,3.05,;-6.44,2.65,;-6.04,1.17,;-4.55,.77,;-1.26,2.43,;-.4,3.57,;.07,-.18,;.87,1.14,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)C=Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(9.75,2.17,;8.26,1.78,;7.86,.29,;7.17,2.86,;7.57,4.35,;6.48,5.44,;4.99,5.04,;4.59,3.55,;5.68,2.47,;3.11,3.16,;2.2,4.4,;.74,3.93,;.74,2.39,;2.2,1.91,;-.6,1.62,;-2.23,.89,;-3.04,-.32,;-1.46,.18,;-1.46,2.18,;-.6,3.33,;-.13,-.42,;.67,.89,;-2.23,-1.15,;-3.77,-1.15,;-4.54,-2.49,;-4.07,-3.95,;-5.31,-4.86,;-6.56,-3.95,;-6.08,-2.49,;-7.17,-1.4,;-8.66,-1.8,;-9.06,-3.29,;-9.75,-.71,;-9.35,.78,;-7.86,1.18,;-6.77,.09,;-5.28,.49,;-2.58,-4.35,;-1.49,-5.44,;-1.09,-3.95,)|
COC(=O)c1cccc(NC(=O)C23CCC(CC2)(C3)C=Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(6.22,6.68,;6.22,5.14,;7.55,4.37,;8.89,5.14,;7.55,2.83,;8.89,2.06,;8.89,.52,;7.55,-.25,;6.22,.52,;4.89,-.25,;3.55,.52,;3.55,2.06,;2.22,-.25,;2.22,-1.79,;.89,-2.56,;-.45,-1.79,;-.45,-.25,;.89,.52,;.68,-.25,;-1.78,-2.56,;-3.11,-1.79,;-4.45,-2.56,;-4.45,-4.1,;-5.91,-4.58,;-6.82,-3.33,;-5.91,-2.09,;-6.31,-.6,;-7.8,-.2,;-8.89,-1.29,;-8.2,1.29,;-7.11,2.38,;-5.62,1.98,;-5.22,.49,;-3.74,.09,;-3.36,-5.19,;-2.96,-6.68,;-1.87,-5.59,;6.22,2.06,)|
OC(=O)c1cccc(NC(=O)C23CCC(CC2)(C3)C=Cc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c1 |(6.22,5.91,;7.55,5.14,;8.89,5.91,;7.55,3.6,;8.89,2.83,;8.89,1.29,;7.55,.52,;6.22,1.29,;4.89,.52,;3.55,1.29,;3.55,2.83,;2.22,.52,;2.22,-1.02,;.89,-1.79,;-.45,-1.02,;-.45,.52,;.89,1.29,;.68,.52,;-1.78,-1.79,;-3.11,-1.02,;-4.45,-1.79,;-5.91,-1.32,;-6.82,-2.56,;-5.91,-3.81,;-4.45,-3.33,;-3.36,-4.42,;-2.96,-5.91,;-1.87,-4.82,;-6.31,.17,;-7.8,.57,;-8.89,-.52,;-8.2,2.06,;-7.11,3.15,;-5.62,2.75,;-5.22,1.26,;-3.74,.86,;6.22,2.83,)|
OC(=O)c1cc(F)c2nc(sc2c1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(7.72,6.43,;7.32,4.94,;8.41,3.85,;5.83,4.54,;4.74,5.63,;3.25,5.23,;2.17,6.32,;2.86,3.74,;1.48,3.04,;1.72,1.52,;3.25,1.28,;3.95,2.65,;5.43,3.05,;.64,.43,;-1,-.29,;-1.8,-1.5,;-.23,-1,;-.23,1,;.64,2.15,;1.1,-1.6,;1.9,-.29,;-1,-2.34,;-2.54,-2.34,;-3.31,-3.67,;-2.68,-5.08,;-3.83,-6.11,;-5.16,-5.34,;-4.84,-3.83,;-5.87,-2.69,;-5.4,-1.22,;-3.89,-.9,;-6.43,-.08,;-7.93,-.4,;-8.41,-1.86,;-7.38,-3.01,;-7.85,-4.47,;-1.18,-5.4,;-.03,-6.43,;.29,-4.92,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.43,1.91,;7.91,1.67,;7.35,.23,;6.94,2.87,;7.49,4.3,;6.52,5.5,;5,5.26,;4.45,3.82,;5.42,2.63,;2.93,3.58,;1.84,4.67,;.46,3.97,;.71,2.45,;2.23,2.21,;-.38,1.36,;-2.02,.64,;-2.82,-.57,;-1.25,-.08,;-1.25,1.93,;-.38,3.07,;.08,-.67,;.88,.64,;-2.02,-1.41,;-3.56,-1.41,;-4.33,-2.74,;-5.86,-2.9,;-6.18,-4.41,;-4.85,-5.18,;-3.7,-4.15,;-2.2,-4.47,;-1.05,-5.5,;-.73,-3.99,;-6.89,-1.76,;-6.41,-.3,;-4.91,.03,;-7.45,.85,;-8.95,.53,;-9.43,-.94,;-8.4,-2.08,;-8.87,-3.54,)|
OC(=O)c1cc(ccc1F)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.43,1.91,;7.91,1.67,;7.35,.23,;6.94,2.87,;5.42,2.63,;4.45,3.82,;5,5.26,;6.52,5.5,;7.49,4.3,;9.01,4.54,;2.93,3.58,;1.84,4.67,;.46,3.97,;.71,2.45,;2.23,2.21,;-.38,1.36,;-2.02,.64,;-2.82,-.57,;-1.25,-.08,;-1.25,1.93,;-.38,3.07,;.08,-.67,;.88,.64,;-2.02,-1.41,;-3.56,-1.41,;-4.33,-2.74,;-3.7,-4.15,;-4.85,-5.18,;-6.18,-4.41,;-5.86,-2.9,;-6.89,-1.76,;-6.41,-.3,;-4.91,.03,;-7.45,.85,;-8.95,.53,;-9.43,-.94,;-8.4,-2.08,;-8.87,-3.54,;-2.2,-4.47,;-1.05,-5.5,;-.73,-3.99,)|
COc1ccc(cc1C(=O)NS(C)(=O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.32,5.74,;7.76,4.3,;6.24,4.06,;5.27,5.26,;3.75,5.02,;3.2,3.58,;4.17,2.38,;5.69,2.63,;6.66,1.43,;6.11,-.01,;8.18,1.67,;9.15,.47,;10.67,.71,;8.6,-.97,;10.12,-.72,;1.68,3.34,;.59,4.43,;-.78,3.73,;-.54,2.21,;.98,1.97,;-1.63,1.12,;-3.26,.4,;-4.07,-.81,;-2.49,-.32,;-2.49,1.69,;-1.63,2.83,;-1.16,-.91,;-.36,.4,;-3.26,-1.65,;-4.8,-1.65,;-5.57,-2.98,;-4.95,-4.39,;-6.09,-5.42,;-7.43,-4.65,;-7.1,-3.15,;-8.14,-2,;-7.66,-.54,;-6.15,-.22,;-8.69,.61,;-10.2,.29,;-10.67,-1.18,;-9.64,-2.32,;-10.12,-3.79,;-3.44,-4.71,;-2.3,-5.74,;-1.98,-4.24,)|
COc1c(cccc1-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(5.83,-.01,;4.86,1.19,;5.42,2.63,;6.94,2.87,;7.49,4.3,;6.52,5.5,;5,5.26,;4.45,3.82,;2.93,3.58,;1.84,4.67,;.46,3.97,;.71,2.45,;2.23,2.21,;-.38,1.36,;-2.02,.64,;-2.82,-.57,;-1.25,-.08,;-1.25,1.93,;-.38,3.07,;.08,-.67,;.88,.64,;-2.02,-1.41,;-3.56,-1.41,;-4.33,-2.74,;-3.7,-4.15,;-4.85,-5.18,;-6.18,-4.41,;-5.86,-2.9,;-6.89,-1.76,;-6.41,-.3,;-4.91,.03,;-7.45,.85,;-8.95,.53,;-9.43,-.94,;-8.4,-2.08,;-8.87,-3.54,;-2.2,-4.47,;-1.05,-5.5,;-.73,-3.99,;7.91,1.67,;9.43,1.91,;7.35,.23,)|
OC(=O)c1cccc(n1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.43,1.91,;7.91,1.67,;7.35,.23,;6.94,2.87,;7.49,4.3,;6.52,5.5,;5,5.26,;4.45,3.82,;5.42,2.63,;2.93,3.58,;1.84,4.67,;.46,3.97,;.71,2.45,;2.23,2.21,;-.38,1.36,;-2.02,.64,;-2.82,-.57,;-1.25,-.08,;-1.25,1.93,;-.38,3.07,;.08,-.67,;.88,.64,;-2.02,-1.41,;-3.56,-1.41,;-4.33,-2.74,;-5.86,-2.9,;-6.18,-4.41,;-4.85,-5.18,;-3.7,-4.15,;-2.2,-4.47,;-1.05,-5.5,;-.73,-3.99,;-6.89,-1.76,;-6.41,-.3,;-4.91,.03,;-7.45,.85,;-8.95,.53,;-9.43,-.94,;-8.4,-2.08,;-8.87,-3.54,)|
OC(=O)c1c(F)ccc(-c2noc(n2)C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1F |(9.43,1.91,;7.91,1.67,;7.35,.23,;6.94,2.87,;7.49,4.3,;9.01,4.54,;6.52,5.5,;5,5.26,;4.45,3.82,;2.93,3.58,;1.84,4.67,;.46,3.97,;.71,2.45,;2.23,2.21,;-.38,1.36,;-2.02,.64,;-2.82,-.57,;-1.25,-.08,;-1.25,1.93,;-.38,3.07,;.08,-.67,;.88,.64,;-2.02,-1.41,;-3.56,-1.41,;-4.33,-2.74,;-3.7,-4.15,;-4.85,-5.18,;-6.18,-4.41,;-5.86,-2.9,;-6.89,-1.76,;-6.41,-.3,;-4.91,.03,;-7.45,.85,;-8.95,.53,;-9.43,-.94,;-8.4,-2.08,;-8.87,-3.54,;-2.2,-4.47,;-1.05,-5.5,;-.73,-3.99,;5.42,2.63,;4.86,1.19,)|
OC(=O)c1cn(CC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)F |(3.45,-3.09,;4.65,-2.12,;6.09,-2.67,;4.41,-.6,;3.04,.1,;3.28,1.62,;2.19,2.71,;.7,2.31,;2.21,1.65,;.8,1.27,;-.9,1.81,;-2.03,.53,;-.62,.81,;-1.37,3.19,;.1,3.64,;-2.44,1.9,;-3.28,.61,;-4.82,.7,;-5.65,2,;-7.14,1.61,;-7.23,.07,;-5.8,-.49,;-5.41,-1.98,;-6.5,-3.06,;-7.99,-2.65,;-6.11,-4.55,;-4.63,-4.96,;-3.53,-3.88,;-3.92,-2.39,;-2.83,-1.3,;-5.09,3.43,;-3.89,4.4,;-5.32,4.96,;4.8,1.87,;5.5,.49,;7.02,.25,;7.99,1.45,;7.57,-1.19,)|
OC(=O)c1cnn(CC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1C(F)F |(7.57,-1.19,;7.02,.25,;7.99,1.45,;5.5,.49,;4.41,-.6,;3.04,.1,;3.28,1.62,;2.19,2.71,;.7,2.31,;2.21,1.65,;.8,1.27,;-.9,1.81,;-2.03,.53,;-.62,.81,;-1.37,3.19,;.1,3.64,;-2.44,1.9,;-3.28,.61,;-4.82,.7,;-5.65,2,;-7.14,1.61,;-7.23,.07,;-5.8,-.49,;-5.41,-1.98,;-6.5,-3.06,;-7.99,-2.65,;-6.11,-4.55,;-4.63,-4.96,;-3.53,-3.88,;-3.92,-2.39,;-2.83,-1.3,;-5.09,3.43,;-3.89,4.4,;-5.32,4.96,;4.8,1.87,;5.57,3.2,;4.8,4.53,;7.11,3.2,)|
OC(=O)C1CC1c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(5.74,-1.66,;6.94,-.69,;8.38,-1.24,;6.7,.83,;7.25,2.27,;5.73,2.03,;4.29,2.58,;3.89,4.07,;2.35,4.15,;1.8,2.71,;3,1.74,;.31,2.31,;-1.01,.81,;-2.42,.53,;-1.29,1.81,;.42,1.27,;1.82,1.65,;-1.76,3.19,;-.29,3.64,;-2.82,1.9,;-3.67,.61,;-5.21,.7,;-6.18,-.49,;-7.62,.07,;-7.53,1.61,;-6.04,2,;-5.48,3.43,;-4.27,4.4,;-5.71,4.96,;-5.79,-1.98,;-6.89,-3.06,;-8.38,-2.65,;-6.5,-4.55,;-5.02,-4.96,;-3.92,-3.88,;-4.31,-2.39,;-3.21,-1.3,)|
OC(=O)C1(CC1)c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(5.26,-.46,;6.45,.51,;7.89,-.04,;6.21,2.03,;7.73,2.27,;6.76,3.47,;4.77,2.58,;4.38,4.07,;2.84,4.15,;2.29,2.71,;3.48,1.74,;.8,2.31,;-.53,.81,;-1.93,.53,;-.8,1.81,;.9,1.27,;2.31,1.65,;-1.27,3.19,;.2,3.64,;-2.34,1.9,;-3.19,.61,;-4.72,.7,;-5.7,-.49,;-7.13,.07,;-7.04,1.61,;-5.55,2,;-4.99,3.43,;-3.79,4.4,;-5.22,4.96,;-5.31,-1.98,;-6.41,-3.06,;-7.89,-2.65,;-6.02,-4.55,;-4.53,-4.96,;-3.44,-3.88,;-3.82,-2.39,;-2.73,-1.3,)|
CC(C)Oc1cc(cc(n1)C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cnn1C)C1CC1 |(10.25,3.59,;9.05,2.62,;9.3,1.1,;7.62,3.17,;6.42,2.2,;4.98,2.75,;3.79,1.78,;4.03,.26,;5.46,-.29,;6.66,.68,;5.7,-1.81,;4.51,-2.78,;7.14,-2.36,;2.35,2.34,;1.95,3.82,;.41,3.9,;-.14,2.47,;1.06,1.5,;-1.63,2.07,;-2.95,.57,;-4.36,.28,;-3.23,1.56,;-1.52,1.02,;-.12,1.4,;-3.7,2.94,;-2.23,3.4,;-4.77,1.65,;-5.61,.37,;-7.15,.46,;-7.98,1.75,;-9.47,1.36,;-9.56,-.17,;-8.13,-.73,;-7.74,-2.22,;-6.3,-2.78,;-5.01,-1.95,;-6.39,-4.32,;-7.88,-4.71,;-8.71,-3.41,;-10.25,-3.32,;-7.42,3.19,;-6.22,4.15,;-7.65,4.71,)|
COc1cc(cc(n1)C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cnn1C)C1CC1 |(9.65,2.62,;8.21,3.17,;7.02,2.2,;5.58,2.75,;4.38,1.78,;4.62,.26,;6.06,-.29,;7.26,.68,;6.3,-1.81,;5.11,-2.78,;7.74,-2.36,;2.95,2.34,;2.55,3.82,;1.01,3.9,;.46,2.47,;1.65,1.5,;-1.03,2.07,;-2.36,.57,;-3.76,.28,;-2.63,1.56,;-.93,1.02,;.48,1.4,;-3.1,2.94,;-1.63,3.4,;-4.17,1.65,;-5.01,.37,;-6.55,.46,;-7.38,1.75,;-8.87,1.36,;-8.96,-.17,;-7.53,-.73,;-7.14,-2.22,;-5.7,-2.78,;-4.41,-1.95,;-5.79,-4.32,;-7.28,-4.71,;-8.12,-3.41,;-9.65,-3.32,;-6.82,3.19,;-5.62,4.15,;-7.05,4.71,)|
OC(=O)c1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)ccc1F |(8.9,1.31,;7.57,2.08,;7.57,3.62,;6.24,1.31,;4.9,2.08,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,1.99,;-8.19,1.51,;-8.19,-.03,;-6.73,-.5,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;3.57,-.23,;4.9,-1,;6.24,-.23,;7.57,-1,)|
OC(=O)c1cnc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1C(F)(F)F |(8.9,-.23,;7.57,-1,;7.57,-2.54,;6.24,-.23,;6.24,1.31,;4.9,2.08,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,1.99,;-8.19,1.51,;-8.19,-.03,;-6.73,-.5,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;3.57,-.23,;4.9,-1.06,;4.9,-2.6,;4.9,-4.14,;6.44,-2.6,;3.36,-2.6,)|
CS(=O)(=O)NC(=O)c1cc(c2cc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1)C(F)(F)F |(10.24,-2.64,;10.24,-1.1,;11.57,-.33,;10.24,.44,;8.9,-.33,;7.57,-1.1,;7.57,-2.64,;6.24,-.33,;6.24,1.21,;4.9,1.98,;3.57,1.21,;2.24,1.98,;.9,1.21,;-.43,1.98,;-1.76,1.21,;-3.1,1.98,;-4.19,3.07,;-5.73,3.07,;-4.64,1.98,;-4.24,.49,;-2.7,.49,;-3.3,2.75,;-1.76,2.75,;-6.18,1.98,;-6.95,.65,;-8.49,.65,;-9.39,1.89,;-10.86,1.42,;-10.86,-.12,;-9.39,-.6,;-9,-2.09,;-10.08,-3.18,;-11.57,-2.78,;-9.69,-4.66,;-8.2,-5.06,;-7.11,-3.97,;-7.51,-2.48,;-6.42,-1.4,;-9,3.38,;-7.91,4.47,;-9.39,4.87,;.9,-.33,;2.24,-1.1,;3.57,-.33,;4.9,-1.1,;4.9,3.52,;4.9,5.06,;3.36,3.52,;6.44,3.52,)|
OC(=O)c1cc2ccc(OCC34CCC(CC3)(CC4)OCc3c(noc3C3CC3)-c3c(Cl)cncc3Cl)cc2cn1 |(10.24,-.23,;8.9,-1,;8.9,-2.54,;7.57,-.23,;6.24,-1,;4.9,-.23,;3.57,-1,;2.24,-.23,;2.24,1.31,;.9,2.08,;-.43,1.31,;-1.76,2.08,;-2.85,3.17,;-4.39,3.17,;-3.3,2.08,;-2.91,.59,;-1.37,.59,;-1.97,2.85,;-.43,2.85,;-4.84,2.08,;-5.61,.74,;-7.15,.74,;-8.06,-.5,;-9.52,-.03,;-9.52,1.51,;-8.06,1.99,;-7.66,3.48,;-6.57,4.57,;-8.06,4.96,;-7.66,-1.99,;-8.75,-3.08,;-10.24,-2.68,;-8.35,-4.57,;-6.86,-4.96,;-5.78,-3.88,;-6.17,-2.39,;-5.09,-1.3,;3.57,2.08,;4.9,1.31,;6.24,2.08,;7.57,1.31,)|
OC(=O)c1cc(c2cc(OCC34CCC(CC3)(CC4)OCc3c(noc3C3CC3)-c3ccccc3C(F)(F)F)ccc2n1)C(F)(F)F
COc1cc(nc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3ccccc3C(F)(F)F)C3CC3)cc12)C(O)=O
OC(=O)c1cc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2ccccc2C(F)(F)F)ccc1F
CCOc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cnc1C(N)=O |(3.57,-4.85,;3.57,-3.31,;4.9,-2.54,;4.9,-1,;3.57,-.23,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,1.99,;-8.19,1.51,;-8.19,-.03,;-6.73,-.5,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;4.9,2.08,;6.24,1.31,;6.24,-.23,;7.57,-1,;8.9,-.23,;7.57,-2.54,)|
OC(=O)c1ncc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2ccccc2C(F)(F)F)c2ccccc12
CCOc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)cnc1C(O)=O
CCOc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)cnc1C(N)=O
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)c2ncccc12 |(8.9,-.23,;7.57,-1,;7.57,-2.54,;6.24,-.23,;6.24,1.31,;4.9,2.08,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,-.5,;-8.19,-.03,;-8.19,1.51,;-6.73,1.99,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;3.57,-.23,;2.24,-1,;2.24,-2.54,;3.57,-3.31,;4.9,-2.54,;4.9,-1,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2ccccc2C(F)(F)F)c2ncccc12
COc1cc(cc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)nc12)C(O)=O |(4.9,4.39,;6.24,3.62,;6.24,2.08,;7.57,1.31,;7.57,-.23,;6.24,-1,;4.9,-.23,;3.57,-1,;2.24,-.23,;2.24,1.31,;.9,2.08,;-.43,1.31,;-1.76,2.08,;-2.85,3.17,;-4.39,3.17,;-3.3,2.08,;-2.91,.59,;-1.37,.59,;-1.97,2.85,;-.43,2.85,;-4.84,2.08,;-5.61,.74,;-7.15,.74,;-8.06,1.99,;-9.52,1.51,;-9.52,-.03,;-8.06,-.5,;-7.66,-1.99,;-8.75,-3.08,;-10.24,-2.68,;-8.35,-4.57,;-6.86,-4.96,;-5.78,-3.88,;-6.17,-2.39,;-5.09,-1.3,;-7.66,3.48,;-6.57,4.57,;-8.06,4.96,;3.57,2.08,;4.9,1.31,;8.9,-1,;10.24,-.23,;8.9,-2.54,)|
Cn1nc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1C(O)=O |(5.63,-2.2,;5.23,-.71,;3.76,-.23,;3.76,1.31,;2.43,2.08,;1.1,1.31,;-.24,2.08,;-1.33,3.17,;-2.87,3.17,;-1.78,2.08,;-1.38,.59,;.16,.59,;-.44,2.85,;1.1,2.85,;-3.32,2.08,;-4.09,.74,;-5.63,.74,;-6.53,1.99,;-8,1.51,;-8,-.03,;-6.53,-.5,;-6.13,-1.99,;-7.22,-3.08,;-8.71,-2.68,;-6.82,-4.57,;-5.34,-4.96,;-4.25,-3.88,;-4.65,-2.39,;-3.56,-1.3,;-6.13,3.48,;-5.04,4.57,;-6.53,4.96,;5.23,1.78,;6.13,.54,;7.62,.94,;8.71,-.15,;8.02,2.42,)|
CCn1nc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1C(O)=O |(4.54,-3.28,;5.63,-2.2,;5.23,-.71,;3.76,-.23,;3.76,1.31,;2.43,2.08,;1.1,1.31,;-.24,2.08,;-1.33,3.17,;-2.87,3.17,;-1.78,2.08,;-1.38,.59,;.16,.59,;-.44,2.85,;1.1,2.85,;-3.32,2.08,;-4.09,.74,;-5.63,.74,;-6.53,1.99,;-8,1.51,;-8,-.03,;-6.53,-.5,;-6.13,-1.99,;-7.22,-3.08,;-8.71,-2.68,;-6.82,-4.57,;-5.34,-4.96,;-4.25,-3.88,;-4.65,-2.39,;-3.56,-1.3,;-6.13,3.48,;-5.04,4.57,;-6.53,4.96,;5.23,1.78,;6.13,.54,;7.62,.94,;8.71,-.15,;8.02,2.42,)|
OC(=O)c1sc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)nc1C(F)(F)F |(8.71,-.15,;7.62,.94,;8.02,2.42,;6.13,.54,;5.23,1.78,;3.76,1.31,;2.43,2.08,;1.1,1.31,;-.24,2.08,;-1.33,3.17,;-2.87,3.17,;-1.78,2.08,;-1.38,.59,;.16,.59,;-.44,2.85,;1.1,2.85,;-3.32,2.08,;-4.09,.74,;-5.63,.74,;-6.53,1.99,;-8,1.51,;-8,-.03,;-6.53,-.5,;-6.13,-1.99,;-7.22,-3.08,;-8.71,-2.68,;-6.82,-4.57,;-5.34,-4.96,;-4.25,-3.88,;-4.65,-2.39,;-3.56,-1.3,;-6.13,3.48,;-5.04,4.57,;-6.53,4.96,;3.76,-.23,;5.24,-.75,;5.72,-2.21,;6.19,-3.68,;7.18,-1.74,;4.25,-2.69,)|
Cc1nc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)sc1C(O)=O |(5.63,-2.2,;5.23,-.71,;3.76,-.23,;3.76,1.31,;2.43,2.08,;1.1,1.31,;-.24,2.08,;-1.33,3.17,;-2.87,3.17,;-1.78,2.08,;-1.38,.59,;.16,.59,;-.44,2.85,;1.1,2.85,;-3.32,2.08,;-4.09,.74,;-5.63,.74,;-6.53,1.99,;-8,1.51,;-8,-.03,;-6.53,-.5,;-6.13,-1.99,;-7.22,-3.08,;-8.71,-2.68,;-6.82,-4.57,;-5.34,-4.96,;-4.25,-3.88,;-4.65,-2.39,;-3.56,-1.3,;-6.13,3.48,;-5.04,4.57,;-6.53,4.96,;5.23,1.78,;6.13,.54,;7.62,.94,;8.71,-.15,;8.02,2.42,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)cn1 |(9.35,3.15,;8.58,1.82,;9.35,.49,;7.04,1.82,;6.27,.49,;4.73,.49,;3.96,1.82,;2.42,1.82,;1.65,.49,;.11,.49,;.88,1.82,;-.61,2.22,;-1.38,.89,;-2.71,.12,;-1.22,-.28,;-.29,-.2,;1.2,-.6,;-2.86,1.28,;-3.95,.19,;-5.44,.59,;-6.69,-.31,;-7.93,.59,;-7.46,2.06,;-5.92,2.06,;-5.15,3.39,;-3.81,4.16,;-5.15,4.93,;-6.69,-1.85,;-8.02,-2.62,;-9.35,-1.85,;-8.02,-4.16,;-6.69,-4.93,;-5.35,-4.16,;-5.35,-2.62,;-4.02,-1.85,;4.73,3.15,;6.27,3.15,)|
OC(=O)c1ccc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c(c1)C(F)(F)F |(9.35,3.15,;8.58,1.82,;9.35,.49,;7.04,1.82,;6.27,3.15,;4.73,3.15,;3.96,1.82,;2.42,1.82,;1.65,.49,;.11,.49,;.88,1.82,;-.61,2.22,;-1.38,.89,;-2.71,.12,;-1.22,-.28,;-.29,-.2,;1.2,-.6,;-2.86,1.28,;-3.95,.19,;-5.44,.59,;-5.92,2.06,;-7.46,2.06,;-7.93,.59,;-6.69,-.31,;-6.69,-1.85,;-8.02,-2.62,;-9.35,-1.85,;-8.02,-4.16,;-6.69,-4.93,;-5.35,-4.16,;-5.35,-2.62,;-4.02,-1.85,;-5.15,3.39,;-3.81,4.16,;-5.15,4.93,;4.73,.49,;6.27,.49,;3.96,-.85,;4.73,-2.18,;2.42,-.85,;3.19,-2.18,)|
Cc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(O)=O |(7.43,-1.29,;6.66,.04,;5.12,.04,;4.35,1.38,;2.81,1.38,;2.04,.04,;.5,.04,;1.27,1.38,;-.22,1.77,;-.99,.44,;-2.32,-.33,;-.84,-.73,;.1,-.65,;1.59,-1.05,;-2.48,.84,;-3.57,-.25,;-5.05,.15,;-5.53,1.61,;-7.07,1.61,;-7.55,.15,;-6.3,-.76,;-6.3,-2.3,;-7.63,-3.07,;-8.97,-2.3,;-7.63,-4.61,;-6.3,-5.38,;-4.97,-4.61,;-4.97,-3.07,;-3.63,-2.3,;-4.76,2.95,;-3.43,3.72,;-4.76,4.49,;5.12,2.71,;6.66,2.71,;7.43,1.38,;7.43,4.04,;8.97,4.04,;6.66,5.38,)|
COc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)nc(c1)C(O)=O |(6.66,-2.63,;7.43,-1.29,;6.66,.04,;5.12,.04,;4.35,1.38,;2.81,1.38,;2.04,.04,;.5,.04,;1.27,1.38,;-.22,1.77,;-.99,.44,;-2.32,-.33,;-.84,-.73,;.1,-.65,;1.59,-1.05,;-2.48,.84,;-3.57,-.25,;-5.05,.15,;-5.53,1.61,;-7.07,1.61,;-7.55,.15,;-6.3,-.76,;-6.3,-2.3,;-7.63,-3.07,;-8.97,-2.3,;-7.63,-4.61,;-6.3,-5.38,;-4.97,-4.61,;-4.97,-3.07,;-3.63,-2.3,;-4.76,2.95,;-3.43,3.72,;-4.76,4.49,;5.12,2.71,;6.66,2.71,;7.43,1.38,;7.43,4.04,;6.66,5.38,;8.97,4.04,)|
Cc1cc(nc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(6.24,3.62,;6.24,2.08,;7.57,1.31,;7.57,-.23,;6.24,-1,;4.9,-.23,;3.57,-1,;2.24,-.23,;2.24,1.31,;.9,2.08,;-.43,1.31,;-1.76,2.08,;-2.85,3.17,;-4.39,3.17,;-3.3,2.08,;-2.91,.59,;-1.37,.59,;-1.97,2.85,;-.43,2.85,;-4.84,2.08,;-5.61,.74,;-7.15,.74,;-8.06,1.99,;-9.52,1.51,;-9.52,-.03,;-8.06,-.5,;-7.66,-1.99,;-8.75,-3.08,;-10.24,-2.68,;-8.35,-4.57,;-6.86,-4.96,;-5.78,-3.88,;-6.17,-2.39,;-5.09,-1.3,;-7.66,3.48,;-6.57,4.57,;-8.06,4.96,;3.57,2.08,;4.9,1.31,;8.9,-1,;10.24,-.23,;8.9,-2.54,)|
CC(C)Oc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(O)=O |(2.24,-2.54,;3.57,-3.31,;3.57,-4.85,;4.9,-2.54,;4.9,-1,;3.57,-.23,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,1.99,;-8.19,1.51,;-8.19,-.03,;-6.73,-.5,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;4.9,2.08,;6.24,1.31,;6.24,-.23,;7.57,2.08,;8.9,1.31,;7.57,3.62,)|
CN(C)c1cc(nc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(4.9,4.39,;6.24,3.62,;7.57,4.39,;6.24,2.08,;7.57,1.31,;7.57,-.23,;6.24,-1,;4.9,-.23,;3.57,-1,;2.24,-.23,;2.24,1.31,;.9,2.08,;-.43,1.31,;-1.76,2.08,;-2.85,3.17,;-4.39,3.17,;-3.3,2.08,;-2.91,.59,;-1.37,.59,;-1.97,2.85,;-.43,2.85,;-4.84,2.08,;-5.61,.74,;-7.15,.74,;-8.06,1.99,;-9.52,1.51,;-9.52,-.03,;-8.06,-.5,;-7.66,-1.99,;-8.75,-3.08,;-10.24,-2.68,;-8.35,-4.57,;-6.86,-4.96,;-5.78,-3.88,;-6.17,-2.39,;-5.09,-1.3,;-7.66,3.48,;-6.57,4.57,;-8.06,4.96,;3.57,2.08,;4.9,1.31,;8.9,-1,;10.24,-.23,;8.9,-2.54,)|
Cc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cnc1C(N)=O |(4.9,-2.54,;4.9,-1,;3.57,-.23,;3.57,1.31,;2.24,2.08,;.9,1.31,;-.43,2.08,;-1.52,3.17,;-3.06,3.17,;-1.97,2.08,;-1.57,.59,;-.03,.59,;-.64,2.85,;.9,2.85,;-3.51,2.08,;-4.28,.74,;-5.82,.74,;-6.73,1.99,;-8.19,1.51,;-8.19,-.03,;-6.73,-.5,;-6.33,-1.99,;-7.42,-3.08,;-8.9,-2.68,;-7.02,-4.57,;-5.53,-4.96,;-4.44,-3.88,;-4.84,-2.39,;-3.75,-1.3,;-6.33,3.48,;-5.24,4.57,;-6.73,4.96,;4.9,2.08,;6.24,1.31,;6.24,-.23,;7.57,-1,;8.9,-.23,;7.57,-2.54,)|
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OC(=O)c1cc(cc2cn[nH]c12)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(-9.37,-2.5,;-7.83,-2.5,;-7.06,-3.83,;-7.06,-1.16,;-5.52,-1.16,;-4.75,.17,;-5.52,1.5,;-7.06,1.5,;-8.09,2.65,;-9.5,2.02,;-9.34,.49,;-7.83,.17,;-3.21,.17,;-1.67,.17,;-.13,.17,;1.54,-.46,;2.97,-.16,;1.49,.59,;.09,-.84,;-1.28,-1.12,;.6,1.95,;-.75,1.49,;2.98,.99,;4.15,.07,;5.59,.59,;6.06,2.06,;7.6,2.06,;8.08,.59,;6.83,-.31,;6.83,-1.85,;8.16,-2.62,;9.5,-1.85,;8.16,-4.16,;6.83,-4.93,;5.5,-4.16,;5.5,-2.62,;4.16,-1.85,;5.29,3.39,;5.29,4.93,;3.96,4.16,)|
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OC(=O)c1ccc(O)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(6.82,-4.03,;7.91,-2.95,;9.39,-3.34,;7.51,-1.46,;8.6,-.37,;8.2,1.12,;6.71,1.52,;6.31,3,;5.62,.43,;4.13,.83,;3.05,-.26,;3.44,-1.75,;4.93,-2.15,;6.02,-1.06,;1.56,.14,;.47,-.95,;-1.02,-.55,;-1.42,.93,;-.33,2.02,;1.16,1.62,;-.66,.06,;.58,-.21,;-2.9,1.33,;-3.99,.24,;-5.48,.64,;-6.73,-.26,;-7.97,.64,;-7.5,2.11,;-5.96,2.11,;-5.05,3.35,;-3.64,3.98,;-4.89,4.88,;-6.73,-1.8,;-8.06,-2.57,;-9.39,-1.8,;-8.06,-4.11,;-6.73,-4.88,;-5.39,-4.11,;-5.39,-2.57,;-4.06,-1.8,)|
OC(=O)c1ccc(OC2CCCC2)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.7,-4.75,;7.79,-3.66,;9.28,-4.06,;7.39,-2.17,;8.48,-1.08,;8.08,.4,;6.6,.8,;6.2,2.29,;7.29,3.38,;8.81,3.14,;9.51,4.51,;8.42,5.6,;7.05,4.9,;5.51,-.29,;4.02,.11,;2.93,-.98,;3.33,-2.46,;4.82,-2.86,;5.91,-1.77,;1.44,-.58,;.36,-1.67,;-1.13,-1.27,;-1.53,.22,;-.44,1.31,;1.05,.91,;-.78,-.65,;.46,-.93,;-3.02,.62,;-4.11,-.47,;-5.59,-.07,;-6.07,1.39,;-7.61,1.39,;-8.09,-.07,;-6.84,-.98,;-6.84,-2.52,;-8.17,-3.29,;-9.51,-2.52,;-8.17,-4.83,;-6.84,-5.6,;-5.51,-4.83,;-5.51,-3.29,;-4.17,-2.52,;-5.17,2.64,;-3.76,3.26,;-5,4.17,)|
OC(=O)c1ccc(N2CCCC2)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.82,-4.34,;7.91,-3.25,;9.39,-3.65,;7.51,-1.76,;8.6,-.67,;8.2,.81,;6.71,1.21,;6.31,2.7,;7.28,3.9,;6.44,5.19,;4.96,4.79,;4.87,3.25,;5.62,.12,;4.13,.52,;3.05,-.57,;3.44,-2.05,;4.93,-2.45,;6.02,-1.36,;1.56,-.17,;.47,-1.26,;-1.02,-.86,;-1.42,.63,;-.33,1.72,;1.16,1.32,;-.66,-.24,;.58,-.52,;-2.9,1.03,;-3.99,-.06,;-5.48,.34,;-5.96,1.8,;-7.5,1.8,;-7.97,.34,;-6.73,-.57,;-6.73,-2.11,;-8.06,-2.88,;-9.39,-2.11,;-8.06,-4.42,;-6.73,-5.19,;-5.39,-4.42,;-5.39,-2.88,;-4.06,-2.11,;-5.05,3.05,;-3.64,3.67,;-4.89,4.58,)|
OC(=O)c1cc(cc2[nH]ncc12)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(-9.37,-2.5,;-7.83,-2.5,;-7.06,-3.83,;-7.06,-1.16,;-5.52,-1.16,;-4.75,.17,;-5.52,1.5,;-7.06,1.5,;-8.09,2.65,;-9.5,2.02,;-9.34,.49,;-7.83,.17,;-3.21,.17,;-1.67,.17,;-.13,.17,;1.54,-.46,;2.97,-.16,;1.49,.59,;.09,-.84,;-1.28,-1.12,;.6,1.95,;-.75,1.49,;2.98,.99,;4.15,.07,;5.59,.59,;6.06,2.06,;7.6,2.06,;8.08,.59,;6.83,-.31,;6.83,-1.85,;8.16,-2.62,;9.5,-1.85,;8.16,-4.16,;6.83,-4.93,;5.5,-4.16,;5.5,-2.62,;4.16,-1.85,;5.29,3.39,;5.29,4.93,;3.96,4.16,)|
OC(=O)c1ccc(C#CC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c2ncccc12 |(-9.82,-1.16,;-9.05,.17,;-9.82,1.5,;-7.51,.17,;-6.74,-1.16,;-5.2,-1.16,;-4.43,.17,;-2.89,.17,;-1.35,.17,;.19,.17,;1.86,-.46,;3.29,-.16,;1.81,.59,;.41,-.84,;-.96,-1.12,;.92,1.95,;-.43,1.49,;3.3,.99,;4.47,.07,;5.91,.59,;6.38,2.06,;7.92,2.06,;8.4,.59,;7.15,-.31,;7.15,-1.85,;8.49,-2.62,;9.82,-1.85,;8.49,-4.16,;7.15,-4.93,;5.82,-4.16,;5.82,-2.62,;4.49,-1.85,;5.61,3.39,;5.61,4.93,;4.28,4.16,;-5.2,1.5,;-4.43,2.84,;-5.2,4.17,;-6.74,4.17,;-7.51,2.84,;-6.74,1.5,)|
CN1CCN(CC1)c1ccc(C(O)=O)c2ccc(nc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(5.12,6.18,;5.52,4.69,;7,4.29,;7.4,2.8,;6.31,1.71,;4.82,2.11,;4.43,3.6,;6.71,.23,;8.2,-.17,;8.6,-1.66,;7.51,-2.75,;7.91,-4.24,;6.82,-5.33,;9.39,-4.64,;6.02,-2.35,;4.93,-3.44,;3.44,-3.04,;3.05,-1.55,;4.13,-.47,;5.62,-.86,;1.56,-1.16,;.47,-2.24,;-1.02,-1.85,;-1.42,-.36,;-.33,.73,;1.16,.33,;-.66,-1.23,;.58,-1.51,;-2.9,.04,;-3.99,-1.05,;-5.48,-.65,;-5.96,.81,;-7.5,.81,;-7.97,-.65,;-6.73,-1.56,;-6.73,-3.1,;-8.06,-3.87,;-9.39,-3.1,;-8.06,-5.41,;-6.73,-6.18,;-5.39,-5.41,;-5.39,-3.87,;-4.06,-3.1,;-5.05,2.06,;-3.64,2.69,;-4.89,3.59,)|
OC(=O)c1ccc(OC2CCOCC2)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.53,-4.93,;7.61,-3.84,;9.1,-4.24,;7.22,-2.35,;8.31,-1.26,;7.91,.23,;6.42,.62,;6.02,2.11,;7.11,3.2,;8.6,2.8,;9.69,3.89,;9.29,5.38,;7.8,5.78,;6.71,4.69,;5.33,-.47,;3.84,-.07,;2.75,-1.16,;3.15,-2.64,;4.64,-3.04,;5.73,-1.95,;1.27,-.76,;.18,-1.85,;-1.31,-1.45,;-1.71,.04,;-.62,1.13,;.87,.73,;-.96,-.83,;.28,-1.11,;-3.2,.44,;-4.29,-.65,;-5.77,-.25,;-6.25,1.21,;-7.79,1.21,;-8.26,-.25,;-7.02,-1.16,;-7.02,-2.7,;-8.35,-3.47,;-9.69,-2.7,;-8.35,-5.01,;-7.02,-5.78,;-5.68,-5.01,;-5.68,-3.47,;-4.35,-2.7,;-5.34,2.46,;-3.94,3.09,;-5.18,3.99,)|
OC(=O)c1cc(cc2[nH]ccc12)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(-9.37,-2.5,;-7.83,-2.5,;-7.06,-3.83,;-7.06,-1.16,;-5.52,-1.16,;-4.75,.17,;-5.52,1.5,;-7.06,1.5,;-8.09,2.65,;-9.5,2.02,;-9.34,.49,;-7.83,.17,;-3.21,.17,;-1.67,.17,;-.13,.17,;1.54,-.46,;2.97,-.16,;1.49,.59,;.09,-.84,;-1.28,-1.12,;.6,1.95,;-.75,1.49,;2.98,.99,;4.15,.07,;5.59,.59,;6.06,2.06,;7.6,2.06,;8.08,.59,;6.83,-.31,;6.83,-1.85,;8.16,-2.62,;9.5,-1.85,;8.16,-4.16,;6.83,-4.93,;5.5,-4.16,;5.5,-2.62,;4.16,-1.85,;5.29,3.39,;5.29,4.93,;3.96,4.16,)|
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Cc1nc(ccc1C(O)=O)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(-7.51,2.84,;-6.74,1.5,;-5.2,1.5,;-4.43,.17,;-5.2,-1.16,;-6.74,-1.16,;-7.51,.17,;-9.05,.17,;-9.82,-1.16,;-9.82,1.5,;-2.89,.17,;-1.35,.17,;.19,.17,;1.86,-.46,;3.29,-.16,;1.81,.59,;.41,-.84,;-1.01,-1.15,;.94,2.14,;-.41,1.68,;3.3,.99,;4.47,.07,;5.91,.59,;6.38,2.06,;7.92,2.06,;8.4,.59,;7.15,-.31,;7.15,-1.85,;8.49,-2.62,;9.82,-1.85,;8.49,-4.16,;7.15,-4.93,;5.82,-4.16,;5.82,-2.62,;4.49,-1.85,;5.61,3.39,;5.61,4.93,;4.28,4.16,)|
OC(=O)c1ccc(nn1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(-9.82,-1.16,;-9.05,.17,;-9.82,1.5,;-7.51,.17,;-6.74,-1.16,;-5.2,-1.16,;-4.43,.17,;-5.2,1.5,;-6.74,1.5,;-2.89,.17,;-1.35,.17,;.19,.17,;1.86,-.46,;3.29,-.16,;1.81,.59,;.41,-.84,;-1.01,-1.15,;.94,2.14,;-.41,1.68,;3.3,.99,;4.47,.07,;5.91,.59,;6.38,2.06,;7.92,2.06,;8.4,.59,;7.15,-.31,;7.15,-1.85,;8.49,-2.62,;9.82,-1.85,;8.49,-4.16,;7.15,-4.93,;5.82,-4.16,;5.82,-2.62,;4.49,-1.85,;5.61,3.39,;5.61,4.93,;4.28,4.16,)|
OC(=O)c1cc(cc2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(F)(F)F |(5.01,6.9,;3.92,5.81,;2.43,6.21,;4.32,4.32,;5.81,3.92,;6.2,2.43,;5.12,1.35,;3.63,1.74,;2.54,.66,;1.05,1.05,;.65,2.54,;1.74,3.63,;3.23,3.23,;-.04,-.04,;-1.67,-.76,;-2.48,-1.97,;-.9,-1.47,;-.9,.53,;-.04,1.68,;.43,-2.07,;1.23,-.76,;-1.67,-2.81,;-3.21,-2.81,;-3.98,-4.14,;-3.36,-5.55,;-4.5,-6.58,;-5.83,-5.81,;-5.51,-4.3,;-6.6,-3.21,;-6.2,-1.72,;-4.72,-1.33,;-7.29,-.64,;-8.78,-1.03,;-9.18,-2.52,;-8.09,-3.61,;-8.49,-5.1,;-1.85,-5.87,;-.71,-6.9,;-.39,-5.39,;7.69,2.04,;9.18,1.64,;8.09,3.52,;7.29,.55,)|
OC(=O)c1ccc2nc(ccc2n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(8.78,4.81,;7.29,5.21,;6.89,6.7,;6.2,4.12,;6.6,2.63,;5.51,1.54,;4.03,1.94,;2.94,.85,;1.45,1.25,;1.05,2.74,;2.14,3.83,;3.63,3.43,;4.72,4.52,;.36,.16,;-1.27,-.56,;-2.08,-1.77,;-.5,-1.27,;-.5,.73,;.36,1.88,;.83,-1.87,;1.63,-.56,;-1.27,-2.61,;-2.81,-2.61,;-3.58,-3.94,;-5.12,-4.1,;-5.44,-5.61,;-4.1,-6.38,;-2.96,-5.35,;-1.45,-5.67,;-.31,-6.7,;.01,-5.19,;-6.2,-3.01,;-5.81,-1.52,;-4.32,-1.13,;-6.89,-.44,;-8.38,-.83,;-8.78,-2.32,;-7.69,-3.41,;-8.09,-4.9,)|
OC(=O)c1cc(c2ccc(nc2c1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(F)(F)F |(8.98,2.93,;7.89,1.84,;8.29,.35,;6.4,2.24,;6.01,3.72,;4.52,4.12,;3.43,3.03,;1.94,3.43,;.85,2.34,;1.25,.85,;2.74,.46,;3.83,1.54,;5.31,1.15,;.16,-.23,;-1.47,-.96,;-2.28,-2.17,;-.7,-1.67,;-.7,.33,;.16,1.48,;.63,-2.27,;1.43,-.96,;-1.47,-3.01,;-3.01,-3.01,;-3.78,-4.34,;-3.16,-5.75,;-4.3,-6.78,;-5.63,-6.01,;-5.31,-4.5,;-6.4,-3.41,;-6.01,-1.92,;-4.52,-1.52,;-7.09,-.83,;-8.58,-1.23,;-8.98,-2.72,;-7.89,-3.81,;-8.29,-5.3,;-1.65,-6.07,;-.51,-7.1,;-.19,-5.59,;4.12,5.61,;5.21,6.7,;2.63,6.01,;3.72,7.1,)|
OC(=O)c1ccc(C2CC2)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)C(C1CC1)C1CC1
CC(C)Oc1cc(Cl)c2nc(ccc2c1C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.33,5.7,;8.24,4.61,;8.64,3.12,;6.75,5.01,;5.66,3.92,;6.06,2.43,;4.97,1.35,;5.37,-.14,;3.48,1.74,;2.39,.66,;.91,1.05,;.51,2.54,;1.6,3.63,;3.08,3.23,;4.17,4.32,;3.77,5.81,;4.86,6.9,;2.29,6.21,;-.18,-.04,;-1.82,-.76,;-2.62,-1.97,;-1.05,-1.47,;-1.05,.53,;-.18,1.68,;.28,-2.07,;1.08,-.76,;-1.82,-2.81,;-3.36,-2.81,;-4.13,-4.14,;-3.5,-5.55,;-4.65,-6.58,;-5.98,-5.81,;-5.66,-4.3,;-6.75,-3.21,;-6.35,-1.72,;-4.86,-1.33,;-7.44,-.64,;-8.93,-1.03,;-9.33,-2.52,;-8.24,-3.61,;-8.64,-5.1,;-2,-5.87,;-.85,-6.9,;-.53,-5.39,)|
COc1ccc2nc(ccc2c1C(O)=O)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.78,4.61,;7.29,5.01,;6.2,3.92,;6.6,2.43,;5.51,1.35,;4.03,1.74,;2.94,.66,;1.45,1.05,;1.05,2.54,;2.14,3.63,;3.63,3.23,;4.72,4.32,;4.32,5.81,;5.41,6.9,;2.83,6.21,;.36,-.04,;-1.27,-.76,;-2.08,-1.97,;-.5,-1.47,;-.5,.53,;.36,1.68,;.83,-2.07,;1.63,-.76,;-1.27,-2.81,;-2.81,-2.81,;-3.58,-4.14,;-2.96,-5.55,;-4.1,-6.58,;-5.44,-5.81,;-5.12,-4.3,;-6.2,-3.21,;-5.81,-1.72,;-4.32,-1.33,;-6.89,-.64,;-8.38,-1.03,;-8.78,-2.52,;-7.69,-3.61,;-8.09,-5.1,;-1.45,-5.87,;-.31,-6.9,;.01,-5.39,)|
OC(=O)c1c(OC2CCC2)cc(Cl)c2nc(ccc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(4.36,6.9,;3.27,5.81,;1.78,6.21,;3.67,4.32,;5.15,3.92,;6.24,5.01,;7.73,4.61,;8.5,3.28,;9.83,4.05,;9.06,5.38,;5.55,2.43,;4.46,1.35,;4.86,-.14,;2.97,1.74,;1.89,.66,;.4,1.05,;-0,2.54,;1.09,3.63,;2.58,3.23,;-.69,-.04,;-2.33,-.76,;-3.13,-1.97,;-1.56,-1.47,;-1.56,.53,;-.69,1.68,;-.23,-2.07,;.58,-.76,;-2.33,-2.81,;-3.87,-2.81,;-4.64,-4.14,;-4.01,-5.55,;-5.15,-6.58,;-6.49,-5.81,;-6.17,-4.3,;-7.26,-3.21,;-6.86,-1.72,;-5.37,-1.33,;-7.95,-.64,;-9.43,-1.03,;-9.83,-2.52,;-8.74,-3.61,;-9.14,-5.1,;-2.5,-5.87,;-1.36,-6.9,;-1.04,-5.39,)|
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(7.05,-.14,;7.82,1.19,;9.36,1.19,;7.05,2.52,;7.82,3.86,;7.05,5.19,;5.51,5.19,;4.74,3.86,;3.24,3.54,;3.08,2.01,;4.48,1.38,;5.51,2.52,;1.74,1.24,;.41,2.01,;-.92,1.24,;-.92,-.3,;.41,-1.07,;1.74,-.3,;.18,-.3,;1.19,.28,;-2.26,-1.07,;-3.59,-.3,;-4.92,-1.07,;-4.92,-2.61,;-6.39,-3.09,;-7.29,-1.84,;-6.39,-.6,;-6.79,.89,;-5.7,1.98,;-4.21,1.58,;-6.1,3.47,;-7.59,3.86,;-8.67,2.77,;-8.28,1.29,;-9.36,.2,;-3.84,-3.7,;-3.44,-5.19,;-2.35,-4.1,)|
OC(=O)c1cc(NC(=O)C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(F)(F)F |(8.22,-.25,;8.22,1.29,;9.56,2.06,;6.89,2.06,;5.55,1.29,;4.22,2.06,;2.89,1.29,;2.89,-.25,;4.22,-1.02,;1.55,-1.02,;.22,-.25,;-1.11,-1.02,;-1.11,-2.56,;.22,-3.33,;1.55,-2.56,;-.01,-2.56,;1,-1.97,;-2.45,-3.33,;-3.78,-2.56,;-5.12,-3.33,;-5.12,-4.87,;-6.58,-5.35,;-7.49,-4.1,;-6.58,-2.86,;-6.98,-1.37,;-5.89,-.28,;-4.4,-.68,;-6.29,1.21,;-7.78,1.61,;-8.86,.52,;-8.47,-.97,;-9.56,-2.06,;-4.03,-5.96,;-3.63,-7.45,;-2.54,-6.36,;4.22,3.6,;5.55,4.37,;6.89,3.6,;5.55,5.91,;4.22,6.68,;6.89,6.68,;5.55,7.45,)|
OC(=O)c1cc(cc2nc(sc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(F)(F)F |(6.96,-1.87,;5.63,-1.1,;4.29,-1.87,;5.63,.44,;6.96,1.21,;6.96,2.75,;5.63,3.52,;4.29,2.75,;2.83,3.23,;1.92,1.98,;2.83,.74,;4.29,1.21,;.38,1.98,;-.39,.65,;-1.93,.65,;-2.7,1.98,;-1.93,3.31,;-.39,3.31,;-1.74,1.43,;-.57,1.43,;-4.24,1.98,;-5.01,.65,;-6.55,.65,;-7.45,1.89,;-8.92,1.42,;-8.92,-.12,;-7.45,-.6,;-7.05,-2.09,;-5.56,-2.48,;-4.48,-1.4,;-5.17,-3.97,;-6.26,-5.06,;-7.74,-4.66,;-8.14,-3.18,;-9.63,-2.78,;-7.05,3.38,;-5.96,4.47,;-7.45,4.87,;8.3,3.52,;8.3,5.06,;9.63,2.75,;9.63,4.29,)|
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.64,-.41,;10.24,1.07,;8.76,1.47,;8.36,2.96,;6.87,3.36,;5.78,2.27,;6.18,.78,;7.67,.38,;8.06,-1.1,;9.55,-1.5,;6.98,-2.19,;4.29,2.67,;3.82,4.13,;2.28,4.13,;1.8,2.67,;3.05,1.76,;.47,1.9,;-.87,2.67,;-2.2,1.9,;-2.2,.36,;-.87,-.41,;.47,.36,;-1.1,.36,;-.08,.95,;-3.53,-.41,;-4.87,.36,;-6.2,-.41,;-6.2,-1.95,;-7.67,-2.43,;-8.57,-1.18,;-7.67,.06,;-8.06,1.55,;-6.98,2.64,;-5.49,2.24,;-7.37,4.13,;-8.86,4.53,;-9.95,3.44,;-9.55,1.95,;-10.64,.86,;-5.11,-3.04,;-4.71,-4.53,;-3.62,-3.44,)|
COc1ccc(cc1C(=O)NS(C)(=O)=O)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.24,-.41,;9.84,1.07,;8.36,1.47,;7.96,2.96,;6.47,3.36,;5.38,2.27,;5.78,.78,;7.27,.38,;7.67,-1.1,;6.58,-2.19,;9.15,-1.5,;9.55,-2.99,;9.95,-4.48,;11.04,-2.59,;8.06,-3.39,;3.89,2.67,;3.42,4.13,;1.88,4.13,;1.4,2.67,;2.65,1.76,;.07,1.9,;-1.27,2.67,;-2.6,1.9,;-2.6,.36,;-1.27,-.41,;.07,.36,;-1.5,.36,;-.48,.95,;-3.93,-.41,;-5.27,.36,;-6.6,-.41,;-6.6,-1.95,;-8.06,-2.43,;-8.97,-1.18,;-8.06,.06,;-8.46,1.55,;-7.37,2.64,;-5.89,2.24,;-7.77,4.13,;-9.26,4.53,;-10.35,3.44,;-9.95,1.95,;-11.04,.86,;-5.51,-3.04,;-5.11,-4.53,;-4.02,-3.44,)|
COc1ccc(cc1C(=O)NS(=O)(=O)C1CC1)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.24,.31,;9.84,1.79,;8.36,2.19,;7.96,3.68,;6.47,4.08,;5.38,2.99,;5.78,1.5,;7.27,1.1,;7.67,-.38,;6.58,-1.47,;9.15,-.78,;9.55,-2.27,;11.04,-1.87,;8.06,-2.67,;9.95,-3.76,;9.55,-5.25,;11.04,-4.85,;3.89,3.39,;3.42,4.85,;1.88,4.85,;1.4,3.39,;2.65,2.48,;.07,2.62,;-1.27,3.39,;-2.6,2.62,;-2.6,1.08,;-1.27,.31,;.07,1.08,;-1.5,1.08,;-.48,1.66,;-3.93,.31,;-5.27,1.08,;-6.6,.31,;-6.6,-1.23,;-8.06,-1.71,;-8.97,-.46,;-8.06,.78,;-8.46,2.27,;-7.37,3.36,;-5.89,2.96,;-7.77,4.85,;-9.26,5.25,;-10.35,4.16,;-9.95,2.67,;-11.04,1.58,;-5.51,-2.32,;-5.11,-3.81,;-4.02,-2.72,)|
CS(=O)(=O)NC(=O)c1cc(cc(c1)C(F)(F)F)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.95,-4.98,;9.55,-3.49,;11.04,-3.1,;8.06,-3.89,;9.15,-2.01,;7.67,-1.61,;6.58,-2.7,;7.27,-.12,;5.78,.28,;5.38,1.77,;6.47,2.85,;7.96,2.46,;8.36,.97,;9.05,3.54,;8.65,5.03,;10.53,3.15,;10.14,4.63,;3.89,2.16,;3.42,3.63,;1.88,3.63,;1.4,2.16,;2.65,1.26,;.07,1.39,;-1.27,2.16,;-2.6,1.39,;-2.6,-.15,;-1.27,-.92,;.07,-.15,;-1.5,-.15,;-.48,.44,;-3.93,-.92,;-5.27,-.15,;-6.6,-.92,;-6.6,-2.46,;-8.06,-2.93,;-8.97,-1.69,;-8.06,-.44,;-8.46,1.05,;-7.37,2.14,;-5.89,1.74,;-7.77,3.62,;-9.26,4.02,;-10.35,2.93,;-9.95,1.45,;-11.04,.36,;-5.51,-3.54,;-5.11,-5.03,;-4.02,-3.94,)|
NC(=O)c1cc(cc(c1)C(F)(F)F)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(8.9,5.03,;9.3,3.54,;10.79,3.15,;8.21,2.46,;6.72,2.85,;5.63,1.77,;6.03,.28,;7.52,-.12,;8.61,.97,;7.92,-1.61,;9.41,-2.01,;6.83,-2.7,;8.32,-3.1,;4.15,2.16,;3.67,3.63,;2.13,3.63,;1.65,2.16,;2.9,1.26,;.32,1.39,;-1.01,2.16,;-2.35,1.39,;-2.35,-.15,;-1.01,-.92,;.32,-.15,;-1.25,-.15,;-.23,.44,;-3.68,-.92,;-5.01,-.15,;-6.35,-.92,;-7.81,-.44,;-8.72,-1.69,;-7.81,-2.93,;-6.35,-2.46,;-5.26,-3.54,;-4.86,-5.03,;-3.77,-3.94,;-8.21,1.05,;-7.12,2.14,;-5.63,1.74,;-7.52,3.62,;-9.01,4.02,;-10.1,2.93,;-9.7,1.45,;-10.79,.36,)|
OC(=O)c1cc(F)cc(c1)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(10.1,-1.5,;8.61,-1.1,;7.52,-2.19,;8.21,.38,;9.3,1.47,;8.9,2.96,;9.99,4.05,;7.41,3.36,;6.32,2.27,;6.72,.78,;4.84,2.67,;4.36,4.13,;2.82,4.13,;2.35,2.67,;3.59,1.76,;1.01,1.9,;-.32,2.67,;-1.66,1.9,;-1.66,.36,;-.32,-.41,;1.01,.36,;-.56,.36,;.46,.95,;-2.99,-.41,;-4.32,.36,;-5.66,-.41,;-7.12,.06,;-8.03,-1.18,;-7.12,-2.43,;-5.66,-1.95,;-4.57,-3.04,;-4.17,-4.53,;-3.08,-3.44,;-7.52,1.55,;-6.43,2.64,;-4.94,2.24,;-6.83,4.13,;-8.32,4.53,;-9.41,3.44,;-9.01,1.95,;-10.1,.86,)|
Cc1cc(OCC23CCC(CC2)(CC3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c2cc(cc(F)c2n1)C(O)=O |(6.22,5.52,;6.22,3.98,;4.89,3.21,;4.89,1.67,;3.55,.9,;2.22,1.67,;.89,.9,;.89,-.64,;-.45,-1.41,;-1.78,-.64,;-1.78,.9,;-.45,1.67,;-.68,-.64,;.34,-.05,;-3.11,-1.41,;-4.45,-.64,;-5.78,-1.41,;-5.78,-2.95,;-7.25,-3.42,;-8.15,-2.18,;-7.25,-.93,;-7.65,.56,;-6.56,1.65,;-5.07,1.25,;-6.96,3.13,;-8.44,3.53,;-9.53,2.44,;-9.13,.96,;-10.22,-.13,;-4.69,-4.04,;-4.29,-5.52,;-3.21,-4.43,;6.22,.9,;6.22,-.64,;7.55,-1.41,;8.89,-.64,;8.89,.9,;10.22,1.67,;7.55,1.67,;7.55,3.21,;7.55,-2.95,;8.89,-3.72,;6.22,-3.72,)|
COc1c(cccc1-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(6.03,-1.79,;5.63,-.31,;6.72,.78,;8.21,.38,;9.3,1.47,;8.9,2.96,;7.41,3.36,;6.32,2.27,;4.84,2.67,;4.36,4.13,;2.82,4.13,;2.35,2.67,;3.59,1.76,;1.01,1.9,;-.32,2.67,;-1.66,1.9,;-1.66,.36,;-.32,-.41,;1.01,.36,;-.56,.36,;.46,.95,;-2.99,-.41,;-4.32,.36,;-5.66,-.41,;-5.66,-1.95,;-7.12,-2.43,;-8.03,-1.18,;-7.12,.06,;-7.52,1.55,;-6.43,2.64,;-4.94,2.24,;-6.83,4.13,;-8.32,4.53,;-9.41,3.44,;-9.01,1.95,;-10.1,.86,;-4.57,-3.04,;-4.17,-4.53,;-3.08,-3.44,;8.61,-1.1,;10.1,-1.5,;7.52,-2.19,)|
COc1cc(ccc1OCC12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(6.89,-.25,;5.55,.52,;5.55,2.06,;6.89,2.83,;6.89,4.37,;5.55,5.14,;4.22,4.37,;4.22,2.83,;2.89,2.06,;2.89,.52,;1.55,-.25,;1.55,-1.79,;.22,-2.56,;-1.11,-1.79,;-1.11,-.25,;.22,.52,;-.01,-1.79,;1,-1.2,;-2.45,-2.56,;-3.78,-1.79,;-5.12,-2.56,;-5.12,-4.1,;-6.58,-4.58,;-7.49,-3.33,;-6.58,-2.09,;-6.98,-.6,;-5.89,.49,;-4.4,.09,;-6.29,1.98,;-7.78,2.38,;-8.86,1.29,;-8.47,-.2,;-9.56,-1.29,;-4.03,-5.19,;-3.63,-6.68,;-2.54,-5.59,;8.22,5.14,;9.56,4.37,;8.22,6.68,)|
OC(=O)c1cc(OC(F)F)c2cc(OCC34CCC(CC3)(CC4)\C=C\c3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1 |(11.56,-3.21,;10.22,-3.98,;10.22,-5.52,;8.89,-3.21,;8.89,-1.67,;7.55,-.9,;7.55,.64,;8.89,1.41,;8.89,2.95,;10.22,.64,;6.22,-1.67,;4.89,-.9,;3.55,-1.67,;2.22,-.9,;.89,-1.67,;-.45,-.9,;-.45,.64,;-1.78,1.41,;-3.11,.64,;-3.11,-.9,;-1.78,-1.67,;-2.56,-.32,;-1.55,-.9,;-4.45,1.41,;-5.78,.64,;-7.12,1.41,;-7.12,2.95,;-8.58,3.42,;-9.49,2.18,;-8.58,.93,;-8.98,-.56,;-10.47,-.96,;-11.56,.13,;-10.87,-2.44,;-9.78,-3.53,;-8.29,-3.13,;-7.89,-1.65,;-6.4,-1.25,;-6.03,4.04,;-5.63,5.52,;-4.54,4.43,;3.55,-3.21,;4.89,-3.98,;6.22,-3.21,;7.55,-3.98,)|
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(8.3,-1.77,;6.96,-1,;5.63,-1.77,;6.96,.54,;8.3,1.31,;8.3,2.85,;6.96,3.62,;5.63,2.85,;4.16,3.32,;3.26,2.08,;4.16,.83,;5.63,1.31,;1.72,2.08,;.95,.74,;-.59,.74,;-1.36,2.08,;-.59,3.41,;.95,3.41,;-.41,1.53,;.77,1.53,;-2.9,2.08,;-3.67,.74,;-5.21,.74,;-6.12,1.99,;-7.58,1.51,;-7.58,-.03,;-6.12,-.5,;-5.72,-1.99,;-4.23,-2.39,;-3.14,-1.3,;-3.83,-3.88,;-4.92,-4.96,;-6.41,-4.57,;-6.81,-3.08,;-8.3,-2.68,;-5.72,3.48,;-4.63,4.57,;-6.12,4.96,)|
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CO2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.64,-.41,;10.24,1.07,;8.76,1.47,;8.36,2.96,;6.87,3.36,;5.78,2.27,;6.18,.78,;7.67,.38,;8.06,-1.1,;9.55,-1.5,;6.98,-2.19,;4.29,2.67,;3.82,4.13,;2.28,4.13,;1.8,2.67,;3.05,1.76,;.47,1.9,;-.87,2.67,;-2.2,1.9,;-2.2,.36,;-.87,-.41,;.47,.36,;-1.1,.36,;-.08,.95,;-3.53,-.41,;-4.87,.36,;-6.2,-.41,;-6.2,-1.95,;-7.67,-2.43,;-8.57,-1.18,;-7.67,.06,;-8.06,1.55,;-6.98,2.64,;-5.49,2.24,;-7.37,4.13,;-8.86,4.53,;-9.95,3.44,;-9.55,1.95,;-10.64,.86,;-5.11,-3.04,;-4.71,-4.53,;-3.62,-3.44,)|
OC(=O)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(8.89,3.21,;7.55,3.98,;7.55,5.52,;6.22,3.21,;6.22,1.67,;4.89,.9,;3.55,1.67,;3.55,3.21,;4.89,3.98,;2.22,.9,;.89,1.67,;-.45,.9,;-.45,-.64,;.65,-.64,;1.67,-.05,;.89,-1.41,;2.22,-.64,;-1.78,-1.41,;-3.11,-.64,;-4.45,-1.41,;-5.91,-.93,;-6.82,-2.18,;-5.91,-3.42,;-4.45,-2.95,;-3.36,-4.04,;-2.96,-5.52,;-1.87,-4.43,;-6.31,.56,;-5.22,1.65,;-3.74,1.25,;-5.62,3.13,;-7.11,3.53,;-8.2,2.44,;-7.8,.96,;-8.89,-.13,)|
OC(=O)c1cc(F)cc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.39,-1.41,;8.99,.07,;10.08,1.16,;7.51,.47,;7.11,1.96,;5.62,2.36,;5.22,3.85,;4.53,1.27,;4.93,-.22,;6.42,-.62,;3.84,-1.31,;3.84,-2.85,;2.38,-3.32,;1.47,-2.08,;2.38,-.83,;-.07,-2.08,;-.84,-3.41,;-2.38,-3.41,;-3.15,-2.08,;-2.38,-.74,;-.84,-.74,;-2.2,-2.63,;-1.02,-2.63,;-4.69,-2.08,;-5.46,-.74,;-7,-.74,;-7.9,-1.99,;-9.37,-1.51,;-9.37,.03,;-7.9,.5,;-7.51,1.99,;-6.02,2.39,;-4.93,1.3,;-5.62,3.88,;-6.71,4.96,;-8.2,4.57,;-8.59,3.08,;-10.08,2.68,;-7.51,-3.48,;-6.42,-4.57,;-7.9,-4.96,)|
COc1ccc(cc1-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(5.53,4.89,;7.01,4.49,;7.41,3,;8.9,2.6,;9.3,1.11,;8.21,.03,;6.72,.42,;6.32,1.91,;4.84,2.31,;4.36,3.77,;2.82,3.77,;2.35,2.31,;3.59,1.4,;1.01,1.54,;-.32,2.31,;-1.66,1.54,;-1.66,,;-.32,-.77,;1.01,,;-.56,,;.46,.59,;-2.99,-.77,;-4.32,,;-5.66,-.77,;-5.66,-2.31,;-7.12,-2.79,;-8.03,-1.54,;-7.12,-.29,;-7.52,1.19,;-6.43,2.28,;-4.94,1.88,;-6.83,3.77,;-8.32,4.17,;-9.41,3.08,;-9.01,1.59,;-10.1,.5,;-4.57,-3.4,;-4.17,-4.89,;-3.08,-3.8,;8.61,-1.46,;10.1,-1.86,;7.52,-2.55,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1ccncc1F
OC(=O)c1ccc(F)c(c1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.1,-1.66,;8.61,-1.26,;7.52,-2.35,;8.21,.22,;9.3,1.31,;8.9,2.8,;7.41,3.2,;7.01,4.69,;6.32,2.11,;6.72,.62,;4.84,2.51,;4.36,3.97,;2.82,3.97,;2.35,2.51,;3.59,1.6,;1.01,1.74,;-.32,2.51,;-1.66,1.74,;-1.66,.2,;-.32,-.57,;1.01,.2,;-.56,.2,;.46,.79,;-2.99,-.57,;-4.32,.2,;-5.66,-.57,;-5.66,-2.11,;-7.12,-2.59,;-8.03,-1.34,;-7.12,-.09,;-7.52,1.39,;-6.43,2.48,;-4.94,2.08,;-6.83,3.97,;-8.32,4.37,;-9.41,3.28,;-9.01,1.79,;-10.1,.7,;-4.57,-3.2,;-4.17,-4.69,;-3.08,-3.6,)|
Clc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(COc3ccc4ncc(C#N)n4n3)(CC1)CC2 |(-5.24,2.02,;-6.73,2.42,;-7.12,3.9,;-8.61,4.3,;-9.7,3.21,;-9.3,1.73,;-10.39,.64,;-7.81,1.33,;-7.42,-.16,;-8.32,-1.41,;-7.42,-2.65,;-5.95,-2.18,;-4.86,-3.27,;-4.46,-4.75,;-3.37,-3.66,;-5.95,-.64,;-4.62,.13,;-3.28,-.64,;-1.95,.13,;-.62,-.64,;.72,.13,;.72,1.67,;2.05,2.44,;3.38,1.67,;4.72,2.44,;4.72,3.98,;6.05,4.75,;7.39,3.98,;8.85,4.46,;9.76,3.21,;8.85,1.97,;9.62,.63,;10.39,-.7,;7.39,2.44,;6.05,1.67,;-.62,2.44,;-1.95,1.67,;.17,.72,;-.85,.13,)|
OC(=O)c1cc(F)cc2nc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)sc12 |(8.78,-.44,;7.45,.33,;6.12,-.44,;7.45,1.87,;8.78,2.64,;8.78,4.18,;10.12,4.95,;7.45,4.95,;6.12,4.18,;4.65,4.66,;3.75,3.41,;2.21,3.41,;1.44,2.08,;-.1,2.08,;-.87,3.41,;-2.41,3.41,;-3.18,2.08,;-2.41,.74,;-.87,.74,;-2.23,1.53,;-1.06,1.53,;-4.72,2.08,;-5.49,.74,;-7.03,.74,;-7.94,1.99,;-9.4,1.51,;-9.4,-.03,;-7.94,-.5,;-7.54,-1.99,;-6.05,-2.39,;-4.96,-1.3,;-5.65,-3.88,;-6.74,-4.96,;-8.23,-4.57,;-8.63,-3.08,;-10.12,-2.68,;-7.54,3.48,;-6.45,4.57,;-7.94,4.96,;4.65,2.17,;6.12,2.64,)|
OC(=O)c1csc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)n1 |(8.12,2.34,;8.12,.8,;9.45,.03,;6.78,.03,;6.78,-1.51,;5.32,-1.99,;4.41,-.74,;2.87,-.74,;2.1,-2.08,;.56,-2.08,;-.21,-.74,;-1.75,-.74,;-2.52,-2.08,;-1.75,-3.41,;-.21,-3.41,;-1.56,-2.63,;-.39,-2.63,;-4.06,-2.08,;-4.83,-.74,;-6.37,-.74,;-7.27,-1.99,;-8.74,-1.51,;-8.74,.03,;-7.27,.5,;-6.87,1.99,;-5.39,2.39,;-4.3,1.3,;-4.99,3.88,;-6.08,4.96,;-7.56,4.57,;-7.96,3.08,;-9.45,2.68,;-6.87,-3.48,;-5.78,-4.57,;-7.27,-4.96,;5.32,.5,)|
OC(=O)c1cnc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)nn12 |(10.56,.08,;9.08,.48,;7.99,-.61,;8.68,1.97,;9.58,3.21,;8.68,4.46,;7.21,3.98,;5.88,4.75,;4.55,3.98,;4.55,2.44,;3.21,1.67,;1.88,2.44,;.54,1.67,;.54,.13,;-.79,-.64,;-2.12,.13,;-2.12,1.67,;-.79,2.44,;-1.02,.13,;-.01,.72,;-3.46,-.64,;-4.79,.13,;-6.12,-.64,;-6.12,-2.18,;-7.59,-2.65,;-8.49,-1.41,;-7.59,-.16,;-7.99,1.33,;-6.9,2.42,;-5.41,2.02,;-7.3,3.9,;-8.78,4.3,;-9.87,3.21,;-9.47,1.73,;-10.56,.64,;-5.03,-3.27,;-4.64,-4.75,;-3.55,-3.66,;5.88,1.67,;7.21,2.44,)|
OC(=O)c1cc(F)cc2nc(OCC34CCC(CC3)(CC4)\C=C\c3c(onc3-c3c(Cl)cncc3Cl)C3CC3)sc12 |(8.78,-6.11,;7.45,-5.34,;6.12,-6.11,;7.45,-3.8,;8.78,-3.03,;8.78,-1.49,;10.12,-.72,;7.45,-.72,;6.12,-1.49,;4.65,-1.02,;3.75,-2.26,;2.21,-2.26,;1.44,-.93,;-.1,-.93,;-.87,.4,;-2.41,.4,;-3.18,-.93,;-2.41,-2.26,;-.87,-2.26,;-2.23,-1.48,;-1.06,-1.48,;-4.72,-.93,;-5.49,.4,;-7.03,.4,;-7.94,-.84,;-9.4,-.37,;-9.4,1.17,;-7.94,1.65,;-7.54,3.14,;-6.05,3.54,;-4.96,2.45,;-5.65,5.02,;-6.74,6.11,;-8.23,5.71,;-8.63,4.23,;-10.12,3.83,;-7.54,-2.33,;-6.45,-3.42,;-7.94,-3.82,;4.65,-3.51,;6.12,-3.03,)|
COc1cc(OCC23CCC(CC2)(CO3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(O)=O |(6.93,-4.74,;7.7,-3.41,;6.93,-2.08,;5.39,-2.08,;4.62,-.74,;3.08,-.74,;2.31,-2.08,;.77,-2.08,;0,-3.41,;-1.54,-3.41,;-2.31,-2.08,;-1.36,-1.53,;-.18,-1.53,;-1.54,-.74,;0,-.74,;-3.85,-2.08,;-4.62,-.74,;-6.16,-.74,;-7.06,-1.99,;-8.53,-1.51,;-8.53,.03,;-7.06,.5,;-6.67,1.99,;-5.18,2.39,;-4.09,1.3,;-4.78,3.88,;-5.87,4.96,;-7.36,4.57,;-7.75,3.08,;-9.24,2.68,;-6.67,-3.48,;-5.58,-4.57,;-7.06,-4.96,;5.39,.59,;6.93,.59,;7.7,-.74,;7.7,1.92,;6.93,3.26,;9.24,1.92,)|
OC(=O)c1cc(OCC23CCC(CC2)(OC3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(F)(F)F |(10.22,.9,;8.89,.13,;8.89,-1.41,;7.55,.9,;6.22,.13,;4.89,.9,;3.55,.13,;2.22,.9,;.89,.13,;-.45,.9,;-1.78,.13,;-1.78,-1.41,;-.68,-1.41,;.34,-.82,;-.45,-2.18,;.89,-1.41,;-3.11,-2.18,;-4.45,-1.41,;-5.78,-2.18,;-5.78,-3.72,;-7.25,-4.19,;-8.15,-2.95,;-7.25,-1.7,;-7.65,-.21,;-6.56,.88,;-5.07,.48,;-6.96,2.36,;-8.44,2.76,;-9.53,1.67,;-9.13,.19,;-10.22,-.9,;-4.69,-4.81,;-4.29,-6.29,;-3.21,-5.2,;4.89,2.44,;6.25,3.3,;7.55,2.44,;6.27,4.84,;6.29,6.38,;4.73,4.86,;7.81,4.83,)|
COc1cc(OCC23CCC(CC2)(OC3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(O)=O |(7.55,5.91,;6.22,5.14,;6.22,3.6,;4.89,2.83,;4.89,1.29,;3.55,.52,;2.22,1.29,;.89,.52,;-.45,1.29,;-1.78,.52,;-1.78,-1.02,;-.68,-1.02,;.34,-.43,;-.45,-1.79,;.89,-1.02,;-3.11,-1.79,;-4.45,-1.02,;-5.78,-1.79,;-5.78,-3.33,;-7.25,-3.81,;-8.15,-2.56,;-7.25,-1.32,;-7.65,.17,;-6.56,1.26,;-5.07,.86,;-6.96,2.75,;-8.44,3.15,;-9.53,2.06,;-9.13,.57,;-10.22,-.52,;-4.69,-4.42,;-4.29,-5.91,;-3.21,-4.82,;6.22,.52,;7.55,1.29,;7.55,2.83,;8.89,.52,;10.22,1.29,;8.89,-1.02,)|
CC(C)(C#N)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(-2.92,-.83,;-1.46,-1.73,;.33,-2.28,;-1.35,-3.68,;-1.41,-5.31,;-1.52,.34,;-.19,1.11,;-.18,2.65,;-1.51,3.42,;-2.85,2.66,;-2.85,1.12,;-1.5,4.96,;-.12,4.34,;.32,3.07,;-1.08,3.72,;-2.49,3.2,;-3,4.31,;-.97,5.5,;-1.43,6.64,;-.88,2.1,;-2.08,1.05,;-1.8,-.56,;-.57,-1.4,;-.64,-2.77,;-2.16,-3.02,;-2.72,-1.81,;-4.23,-1.51,;-5.69,-2.01,;-5.39,-.5,;.72,-.56,;.64,.98,;-.9,.85,;1.93,1.81,;3.31,1.11,;3.39,-.42,;2.09,-1.26,;3.06,-2.6,)|
CC(C)(C#N)c1ccc(cc1)C12CCC(CC1)(CO2)C=Cc1c(noc1C1CC1)-c1ccccc1C(F)(F)F |(-2.95,-1.72,;-.75,-1.38,;.89,-1.9,;-.7,-3.1,;.09,-4.86,;-1.21,.34,;.12,1.11,;.13,2.65,;-1.2,3.42,;-2.54,2.66,;-2.54,1.12,;-1.19,4.96,;.19,4.34,;.63,3.07,;-.77,3.72,;-2.18,3.2,;-2.69,4.31,;-.66,5.51,;-1.12,6.64,;-2.02,1.79,;-2.82,-.02,;-1.74,-1.7,;-.07,-1.77,;.34,-3.14,;-1.02,-3.85,;-2.12,-2.77,;-3.64,-3.02,;-4.83,-4.01,;-5.08,-2.49,;1.02,-.39,;2.39,-.74,;3.33,.48,;2.73,1.9,;1.21,2.1,;.58,.57,;-.66,.13,;-2.16,.08,;-1.85,-.48,;-.66,2.08,)|
CC(C)(C(O)=O)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |(6.86,5.42,;7.63,4.09,;8.4,5.42,;8.97,3.32,;10.3,4.09,;8.97,1.78,;6.3,3.32,;6.3,1.78,;4.96,1.01,;3.63,1.78,;3.63,3.32,;4.96,4.09,;2.3,1.01,;.96,1.78,;-.37,1.01,;-.37,-.53,;.73,-.53,;1.75,.05,;.96,-1.3,;2.3,-.53,;-1.7,-1.3,;-3.04,-.53,;-4.37,-1.3,;-4.37,-2.84,;-5.84,-3.32,;-6.74,-2.07,;-5.84,-.83,;-6.23,.66,;-5.15,1.75,;-5.54,3.24,;-7.03,3.63,;-8.12,2.55,;-7.72,1.06,;-8.81,-.03,;-10.3,.37,;-8.41,-1.52,;-9.9,-1.12,;-3.28,-3.93,;-2.88,-5.42,;-1.8,-4.33,)|
OC(=O)c1cc(OC(F)F)cc(c1)-c1noc(n1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.9,5.03,;9.3,3.54,;10.79,3.15,;8.21,2.46,;8.61,.97,;7.52,-.12,;7.92,-1.61,;9.41,-2.01,;10.5,-.92,;9.8,-3.49,;6.03,.28,;5.63,1.77,;6.72,2.85,;4.15,2.16,;3.67,3.63,;2.13,3.63,;1.65,2.16,;2.9,1.26,;.32,1.39,;-1.01,2.16,;-2.35,1.39,;-2.35,-.15,;-1.01,-.92,;.32,-.15,;-1.25,-.15,;-.23,.44,;-3.68,-.92,;-5.01,-.15,;-6.35,-.92,;-6.35,-2.46,;-7.81,-2.93,;-8.72,-1.69,;-7.81,-.44,;-8.21,1.05,;-7.12,2.14,;-5.63,1.74,;-7.52,3.62,;-9.01,4.02,;-10.1,2.93,;-9.7,1.45,;-10.79,.36,;-5.26,-3.54,;-4.86,-5.03,;-3.77,-3.94,)|
CC(C)(C(N)=O)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |(9.74,3.6,;8.2,3.6,;8.97,2.26,;8.2,5.14,;6.86,5.91,;9.53,5.91,;6.86,2.83,;6.86,1.29,;5.53,.52,;4.19,1.29,;4.19,2.83,;5.53,3.6,;2.86,.52,;1.53,1.29,;.19,.52,;.19,-1.02,;1.53,-1.79,;2.86,-1.02,;1.29,-1.02,;2.31,-.43,;-1.14,-1.79,;-2.47,-1.02,;-3.81,-1.79,;-3.81,-3.33,;-5.27,-3.81,;-6.18,-2.56,;-5.27,-1.32,;-5.67,.17,;-4.58,1.26,;-4.98,2.75,;-6.47,3.15,;-7.56,2.06,;-7.16,.57,;-8.25,-.52,;-9.74,-.12,;-7.85,-2.01,;-9.34,-1.61,;-2.72,-4.42,;-2.32,-5.91,;-1.23,-4.82,)|
CC(C)(C(N)=O)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.99,3.6,;7.45,3.6,;8.22,2.26,;7.45,5.14,;6.12,5.91,;8.79,5.91,;6.12,2.83,;6.12,1.29,;4.78,.52,;3.45,1.29,;3.45,2.83,;4.78,3.6,;2.12,.52,;.78,1.29,;-.55,.52,;-.55,-1.02,;.78,-1.79,;2.12,-1.02,;.55,-1.02,;1.57,-.43,;-1.88,-1.79,;-3.22,-1.02,;-4.55,-1.79,;-4.55,-3.33,;-6.02,-3.81,;-6.92,-2.56,;-6.02,-1.32,;-6.41,.17,;-7.9,.57,;-8.99,-.52,;-8.3,2.06,;-7.21,3.15,;-5.72,2.75,;-5.33,1.26,;-3.84,.86,;-3.46,-4.42,;-3.06,-5.91,;-1.98,-4.82,)|
CC(C)(C(O)=O)c1ccc(cc1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.99,3.6,;7.45,3.6,;8.22,2.26,;7.45,5.14,;6.12,5.91,;8.79,5.91,;6.12,2.83,;6.12,1.29,;4.78,.52,;3.45,1.29,;3.45,2.83,;4.78,3.6,;2.12,.52,;.78,1.29,;-.55,.52,;-.55,-1.02,;.78,-1.79,;2.12,-1.02,;.55,-1.02,;1.57,-.43,;-1.88,-1.79,;-3.22,-1.02,;-4.55,-1.79,;-4.55,-3.33,;-6.02,-3.81,;-6.92,-2.56,;-6.02,-1.32,;-6.41,.17,;-7.9,.57,;-8.99,-.52,;-8.3,2.06,;-7.21,3.15,;-5.72,2.75,;-5.33,1.26,;-3.84,.86,;-3.46,-4.42,;-3.06,-5.91,;-1.98,-4.82,)|
COc1cncc(Cl)c1-c1noc(C2CC2)c1\C=C\C12CCC(CC1)(OC2)c1ccc(cc1)C(C)(C)C(O)=O |(-2.75,1.95,;-3.84,.86,;-5.33,1.26,;-5.72,2.75,;-7.21,3.15,;-8.3,2.06,;-7.9,.57,;-8.99,-.52,;-6.41,.17,;-6.02,-1.32,;-6.92,-2.56,;-6.02,-3.81,;-4.55,-3.33,;-3.46,-4.42,;-3.06,-5.91,;-1.98,-4.82,;-4.55,-1.79,;-3.22,-1.02,;-1.88,-1.79,;-.55,-1.02,;-.55,.52,;.78,1.29,;2.12,.52,;2.12,-1.02,;.78,-1.79,;1.57,-.43,;.55,-1.02,;3.45,1.29,;4.78,.52,;6.12,1.29,;6.12,2.83,;4.78,3.6,;3.45,2.83,;7.45,3.6,;8.99,3.6,;8.22,2.26,;7.45,5.14,;6.12,5.91,;8.79,5.91,)|
OC(=O)c1cccc(OCC23CCC(COCc4c(noc4C4CC4)-c4c(Cl)cccc4Cl)(CC2)CC3)c1 |(8.38,-3.19,;9.15,-1.86,;10.69,-1.86,;8.38,-.52,;9.15,.81,;8.38,2.14,;6.84,2.14,;6.07,.81,;4.53,.81,;3.76,2.14,;2.22,2.14,;1.45,3.48,;-.09,3.48,;-.86,2.14,;-2.4,2.14,;-3.17,.81,;-4.71,.81,;-5.48,-.52,;-7.02,-.52,;-7.5,-1.99,;-6.25,-2.89,;-5.01,-1.99,;-3.52,-2.39,;-2.43,-3.48,;-2.03,-1.99,;-8.11,.56,;-7.71,2.05,;-6.23,2.45,;-8.8,3.14,;-10.29,2.74,;-10.69,1.25,;-9.6,.17,;-10,-1.32,;-.09,.81,;1.45,.81,;.09,2.69,;1.27,2.69,;6.84,-.52,)|
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OC(=O)c1ccc(F)c(c1)-c1noc(n1)C12CCC(COCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)(CC1)CC2 |(10.76,1.64,;9.28,1.24,;8.19,2.33,;8.88,-.25,;9.97,-1.34,;9.57,-2.83,;8.08,-3.23,;7.68,-4.71,;6.99,-2.14,;7.39,-.65,;5.5,-2.54,;5.03,-4,;3.49,-4,;3.01,-2.54,;4.26,-1.63,;1.68,-1.77,;.34,-2.54,;-.99,-1.77,;-.99,-.23,;-2.32,.54,;-3.66,-.23,;-4.99,.54,;-6.32,-.23,;-6.32,-1.77,;-7.79,-2.24,;-8.69,-1,;-7.79,.25,;-8.19,1.74,;-7.1,2.83,;-5.61,2.43,;-7.5,4.31,;-8.98,4.71,;-10.07,3.62,;-9.67,2.14,;-10.76,1.05,;-5.23,-2.85,;-4.84,-4.34,;-3.75,-3.25,;.34,.54,;1.68,-.23,;.11,-.23,;1.13,-.81,)|
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FC(F)(F)c1cc(cc(c1)C12CCC(COCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)(CC1)CO2)C#N |(5.12,-.63,;3.53,-0,;4.97,.84,;4.11,-1.57,;1.77,.87,;.44,.11,;-.59,.57,;-.89,2.42,;.45,3.19,;1.78,2.41,;.46,4.73,;.53,6.4,;.99,5.27,;.88,3.48,;1.04,1.84,;-.6,1.43,;-.17,-.55,;-1.09,-1.75,;-.8,-3.26,;-2.14,-4.01,;-3.27,-2.96,;-2.62,-1.56,;-3.36,-.22,;-2.57,1.1,;-1.35,.17,;-3.31,2.45,;-4.85,2.48,;-5.65,1.16,;-4.9,-.19,;-6.13,-1.24,;.6,-3.92,;2.13,-3.78,;1.48,-5.18,;-.53,2.97,;-1.04,4.07,;2.28,2.84,;1.84,4.11,;-2.21,-.4,;-3.75,-1.32,)|
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OC(=O)c1cc(cc(c1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(F)(F)F |(7.55,-1.41,;7.55,.13,;8.89,.9,;6.22,.9,;6.22,2.44,;4.92,3.3,;3.55,2.44,;3.55,.9,;4.89,.13,;2.22,.13,;2.22,-1.41,;.89,-2.18,;-.45,-1.41,;.65,-1.41,;1.67,-.82,;-.45,.13,;.89,.9,;-1.78,-2.18,;-3.11,-1.41,;-4.45,-2.18,;-4.45,-3.72,;-5.91,-4.19,;-6.82,-2.95,;-5.91,-1.7,;-6.31,-.21,;-7.8,.19,;-8.89,-.9,;-8.2,1.67,;-7.11,2.76,;-5.62,2.36,;-5.22,.88,;-3.74,.48,;-3.36,-4.81,;-2.96,-6.29,;-1.87,-5.2,;4.94,4.84,;4.95,6.38,;3.4,4.86,;6.48,4.83,)|
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CO2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(10.64,-.41,;10.24,1.07,;8.76,1.47,;8.36,2.96,;6.87,3.36,;5.78,2.27,;6.18,.78,;7.67,.38,;8.06,-1.1,;9.55,-1.5,;6.98,-2.19,;4.29,2.67,;3.82,4.13,;2.28,4.13,;1.8,2.67,;3.05,1.76,;.47,1.9,;-.87,2.67,;-2.2,1.9,;-2.2,.36,;-.87,-.41,;.47,.36,;-1.1,.36,;-.08,.95,;-3.53,-.41,;-4.87,.36,;-6.2,-.41,;-6.2,-1.95,;-7.67,-2.43,;-8.57,-1.18,;-7.67,.06,;-8.06,1.55,;-6.98,2.64,;-5.49,2.24,;-7.37,4.13,;-8.86,4.53,;-9.95,3.44,;-9.55,1.95,;-10.64,.86,;-5.11,-3.04,;-4.71,-4.53,;-3.62,-3.44,)|
COc1cc(OCC23CCC(CC2)(CC3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(O)=O |(7.55,5.91,;6.22,5.14,;6.22,3.6,;4.89,2.83,;4.89,1.29,;3.55,.52,;2.22,1.29,;.89,.52,;-.45,1.29,;-1.78,.52,;-1.78,-1.02,;-.45,-1.79,;.89,-1.02,;-1.23,-.07,;-.21,.52,;-3.11,-1.79,;-4.45,-1.02,;-5.78,-1.79,;-5.78,-3.33,;-7.25,-3.81,;-8.15,-2.56,;-7.25,-1.32,;-7.65,.17,;-9.13,.57,;-10.22,-.52,;-9.53,2.06,;-8.44,3.15,;-6.96,2.75,;-6.56,1.26,;-5.07,.86,;-4.69,-4.42,;-4.29,-5.91,;-3.21,-4.82,;6.22,.52,;7.55,1.29,;7.55,2.83,;8.89,.52,;10.22,1.29,;8.89,-1.02,)|
OC(=O)c1cc(cc(c1)C(F)(F)F)-c1noc(n1)C12CCC(CC1)(OC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.39,-1.6,;8.99,-.11,;10.08,.98,;7.51,.29,;6.42,-.8,;4.93,-.4,;4.53,1.08,;5.62,2.17,;7.11,1.78,;5.22,3.66,;3.73,4.06,;6.31,4.75,;4.82,5.15,;3.84,-1.49,;3.84,-3.03,;2.38,-3.51,;1.47,-2.26,;2.38,-1.02,;-.07,-2.26,;-.84,-.93,;-2.38,-.93,;-3.15,-2.26,;-2.2,-1.71,;-1.02,-1.71,;-2.38,-3.6,;-.84,-3.6,;-4.69,-2.26,;-5.46,-.93,;-7,-.93,;-7.9,-2.17,;-9.37,-1.7,;-9.37,-.16,;-7.9,.32,;-7.51,1.81,;-6.02,2.2,;-4.93,1.12,;-5.62,3.69,;-6.71,4.78,;-8.2,4.38,;-8.59,2.89,;-10.08,2.5,;-7.51,-3.66,;-6.42,-4.75,;-7.9,-5.15,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(OC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.39,-1.41,;8.99,.07,;10.08,1.16,;7.51,.47,;7.11,1.96,;5.62,2.36,;4.53,1.27,;4.93,-.22,;6.42,-.62,;3.84,-1.31,;3.84,-2.85,;2.38,-3.32,;1.47,-2.08,;2.38,-.83,;-.07,-2.08,;-.84,-.74,;-2.38,-.74,;-3.15,-2.08,;-2.2,-1.53,;-1.02,-1.53,;-2.38,-3.41,;-.84,-3.41,;-4.69,-2.08,;-5.46,-.74,;-7,-.74,;-7.9,.5,;-9.37,.03,;-9.37,-1.51,;-7.9,-1.99,;-7.51,-3.48,;-6.42,-4.57,;-7.9,-4.96,;-7.51,1.99,;-6.02,2.39,;-4.93,1.3,;-5.62,3.88,;-6.71,4.96,;-8.2,4.57,;-8.59,3.08,;-10.08,2.68,)|
COc1ccc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(OC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(7.8,4.54,;8.2,3.05,;7.11,1.96,;5.62,2.36,;4.53,1.27,;4.93,-.22,;6.42,-.62,;7.51,.47,;8.99,.07,;9.39,-1.41,;10.08,1.16,;3.84,-1.31,;3.84,-2.85,;2.38,-3.32,;1.47,-2.08,;2.38,-.83,;-.07,-2.08,;-.84,-.74,;-2.38,-.74,;-3.15,-2.08,;-2.2,-1.53,;-1.02,-1.53,;-2.38,-3.41,;-.84,-3.41,;-4.69,-2.08,;-5.46,-.74,;-7,-.74,;-7.9,-1.99,;-9.37,-1.51,;-9.37,.03,;-7.9,.5,;-7.51,1.99,;-6.02,2.39,;-4.93,1.3,;-5.62,3.88,;-6.71,4.96,;-8.2,4.57,;-8.59,3.08,;-10.08,2.68,;-7.51,-3.48,;-6.42,-4.57,;-7.9,-4.96,)|
OC(=O)c1cc(OC(F)F)cc(c1)-c1noc(n1)C12CCC(CC1)(OC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.39,-2.14,;8.99,-.66,;10.08,.43,;7.51,-.26,;7.11,1.23,;5.62,1.63,;5.22,3.12,;6.31,4.21,;5.91,5.69,;7.8,3.81,;4.53,.54,;4.93,-.95,;6.42,-1.35,;3.84,-2.04,;3.84,-3.58,;2.38,-4.05,;1.47,-2.81,;2.38,-1.56,;-.07,-2.81,;-.84,-1.47,;-2.38,-1.47,;-3.15,-2.81,;-2.2,-2.26,;-1.02,-2.26,;-2.38,-4.14,;-.84,-4.14,;-4.69,-2.81,;-5.46,-1.47,;-7,-1.47,;-7.9,-2.72,;-9.37,-2.24,;-9.37,-.7,;-7.9,-.23,;-7.51,1.26,;-6.02,1.66,;-4.93,.57,;-5.62,3.15,;-6.71,4.24,;-8.2,3.84,;-8.59,2.35,;-10.08,1.95,;-7.51,-4.21,;-6.42,-5.29,;-7.9,-5.69,)|
OC(=O)c1cc(OC(F)F)c2cc(OCC34CCC(CC3)(CO4)\C=C\c3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1 |(11.56,3.21,;10.22,3.98,;10.22,5.52,;8.89,3.21,;8.89,1.67,;7.55,.9,;7.55,-.64,;6.22,-1.41,;6.22,-2.95,;4.89,-.64,;6.22,1.67,;4.89,.9,;3.55,1.67,;2.22,.9,;.89,1.67,;-.45,.9,;-.45,-.64,;-1.78,-1.41,;-3.11,-.64,;-3.11,.9,;-1.78,1.67,;-2.02,-.64,;-1,-.05,;-4.45,-1.41,;-5.78,-.64,;-7.12,-1.41,;-7.12,-2.95,;-8.58,-3.42,;-9.49,-2.18,;-8.58,-.93,;-8.98,.56,;-10.47,.96,;-11.56,-.13,;-10.87,2.44,;-9.78,3.53,;-8.29,3.13,;-7.89,1.65,;-6.4,1.25,;-6.03,-4.04,;-5.63,-5.52,;-4.54,-4.43,;3.55,3.21,;4.89,3.98,;6.22,3.21,;7.55,3.98,)|
OC(=O)c1cc(OCC23CCC(CC2)(CO3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(OC(F)F)c1 |(7.55,5.91,;6.22,5.14,;4.89,5.91,;6.22,3.6,;4.89,2.83,;4.89,1.29,;3.55,.52,;2.22,1.29,;.89,.52,;.89,-1.02,;-.45,-1.79,;-1.78,-1.02,;-1.78,.52,;-.45,1.29,;-.68,-1.02,;.34,-.43,;-3.11,-1.79,;-4.45,-1.02,;-5.78,-1.79,;-5.78,-3.33,;-7.25,-3.81,;-8.15,-2.56,;-7.25,-1.32,;-7.65,.17,;-9.13,.57,;-10.22,-.52,;-9.53,2.06,;-8.44,3.15,;-6.96,2.75,;-6.56,1.26,;-5.07,.86,;-4.69,-4.42,;-4.29,-5.91,;-3.21,-4.82,;6.22,.52,;7.55,1.29,;8.89,.52,;8.89,-1.02,;10.22,-1.79,;7.55,-1.79,;7.55,2.83,)|
OC(=O)c1cc(c2cc(OCC34CCC(CC3)(CO4)C=Cc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1)C(F)(F)F
CC(C)Oc1cc(nc2ccc(OCC34CCC(CC3)(CO4)C=Cc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)\C=C/c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-8.07,.3,;-6.73,-.47,;-5.4,.3,;-6.73,-2.01,;-8.07,-2.78,;-8.07,-4.32,;-6.73,-5.09,;-5.4,-4.32,;-3.94,-4.8,;-3.03,-3.55,;-3.94,-2.31,;-5.4,-2.78,;-1.49,-3.55,;-.72,-2.22,;.82,-2.22,;1.59,-3.55,;.82,-4.89,;-.72,-4.89,;.64,-4.1,;-.54,-4.1,;3.13,-3.55,;3.9,-2.22,;3.13,.65,;1.59,.65,;1.11,2.12,;2.36,3.02,;3.61,2.12,;5.09,2.52,;5.49,4,;4.4,5.09,;6.98,4.4,;8.07,3.31,;7.67,1.83,;6.18,1.43,;5.78,-.06,;.5,-.43,;-.99,-.83,;.1,-1.92,)|
OC(=O)c1cccc2nc(sc12)C12CCC(CC1)(CC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.36,1.19,;7.82,1.19,;7.05,-.14,;7.05,2.52,;7.82,3.86,;7.05,5.19,;5.51,5.19,;4.74,3.86,;3.24,3.54,;3.08,2.01,;4.48,1.38,;5.51,2.52,;1.74,1.24,;.41,2.01,;-.92,1.24,;-.92,-.3,;.41,-1.07,;1.74,-.3,;.4,-.3,;.4,1.24,;-2.26,-1.07,;-3.59,-.3,;-4.92,-1.07,;-6.39,-.6,;-7.29,-1.84,;-6.39,-3.09,;-4.92,-2.61,;-3.84,-3.7,;-3.44,-5.19,;-2.35,-4.1,;-6.79,.89,;-5.7,1.98,;-4.21,1.58,;-6.1,3.47,;-7.59,3.86,;-8.67,2.77,;-8.28,1.29,;-9.36,.2,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CCC(CC1)(CC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.39,-1.41,;8.99,.07,;10.08,1.16,;7.51,.47,;7.11,1.96,;5.62,2.36,;4.53,1.27,;4.93,-.22,;6.42,-.62,;3.84,-1.31,;3.84,-2.85,;2.38,-3.32,;1.47,-2.08,;2.38,-.83,;-.07,-2.08,;-.84,-.74,;-2.38,-.74,;-3.15,-2.08,;-2.38,-3.41,;-.84,-3.41,;-1.8,-2.79,;-1.4,-1.31,;-4.69,-2.08,;-5.46,-.74,;-7,-.74,;-7.9,.5,;-9.37,.03,;-9.37,-1.51,;-7.9,-1.99,;-7.51,-3.48,;-7.9,-4.96,;-6.42,-4.57,;-7.51,1.99,;-6.02,2.39,;-4.93,1.3,;-5.62,3.88,;-6.71,4.96,;-8.2,4.57,;-8.59,3.08,;-10.08,2.68,)|
OC(=O)c1ccc2nc(sc2c1)C12CCC(CC1)(CC2)\C=C\c1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(9.75,5.19,;8.98,3.86,;9.75,2.52,;7.44,3.86,;6.67,5.19,;5.13,5.19,;4.36,3.86,;2.85,3.54,;2.69,2.01,;4.1,1.38,;5.13,2.52,;6.67,2.52,;1.36,1.24,;.02,2.01,;-1.31,1.24,;-1.31,-.3,;.02,-1.07,;1.36,-.3,;.01,-.3,;.02,1.24,;-2.64,-1.07,;-3.98,-.3,;-5.31,-1.07,;-6.77,-.6,;-7.68,-1.84,;-6.77,-3.09,;-5.31,-2.61,;-4.22,-3.7,;-3.82,-5.19,;-2.73,-4.1,;-7.17,.89,;-6.08,1.98,;-4.6,1.58,;-6.48,3.47,;-7.97,3.86,;-9.06,2.77,;-8.66,1.29,;-9.75,.2,)|
OC(=O)c1cc(OCC23CCC(CC2)(CC3)\C=C\c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(F)(F)F |(10.22,.9,;8.89,.13,;8.89,-1.41,;7.55,.9,;6.22,.13,;4.89,.9,;3.55,.13,;2.22,.9,;.89,.13,;-.45,.9,;-1.78,.13,;-1.78,-1.41,;-.45,-2.18,;.89,-1.41,;-1.23,-.45,;-.21,.13,;-3.11,-2.18,;-4.45,-1.41,;-5.78,-2.18,;-5.78,-3.72,;-7.25,-4.19,;-8.15,-2.95,;-7.25,-1.7,;-7.65,-.21,;-9.13,.19,;-10.22,-.9,;-9.53,1.67,;-8.44,2.76,;-6.96,2.36,;-6.56,.88,;-5.07,.48,;-4.69,-4.81,;-4.29,-6.29,;-3.21,-5.2,;4.89,2.44,;6.22,3.21,;7.55,2.44,;6.22,4.75,;7.55,5.52,;4.89,5.52,;6.22,6.29,)|
OC(=O)c1cc(cc2nc(sc12)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(F)(F)F |(9.36,-.14,;7.82,-.14,;7.05,-1.48,;7.05,1.19,;7.82,2.52,;7.05,3.86,;5.51,3.86,;4.74,2.52,;3.24,2.2,;3.08,.67,;4.48,.05,;5.51,1.19,;1.74,-.1,;.41,.67,;-.92,-.1,;-.92,-1.64,;.41,-2.41,;1.74,-1.64,;.4,-1.64,;.4,-.1,;-2.26,-2.41,;-3.59,-1.64,;-4.92,-2.41,;-4.92,-3.95,;-6.39,-4.42,;-7.29,-3.18,;-6.39,-1.93,;-6.79,-.44,;-5.7,.64,;-4.21,.25,;-6.1,2.13,;-7.59,2.53,;-8.67,1.44,;-8.28,-.05,;-9.36,-1.14,;-3.84,-5.04,;-3.44,-6.52,;-2.35,-5.44,;7.82,5.19,;8.59,6.52,;9.16,4.42,;6.49,5.96,)|
COc1cc(nc2ccc(OCC34CCC(CC3)(CC4)\C=C\c3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(6.16,-4.59,;5.39,-3.26,;6.16,-1.92,;7.7,-1.92,;8.47,-.59,;7.7,.74,;6.16,.74,;5.39,2.08,;3.85,2.08,;3.08,.74,;1.54,.74,;.77,2.08,;-.77,2.08,;-1.54,.74,;-3.08,.74,;-3.85,2.08,;-3.08,3.41,;-1.54,3.41,;-2.9,2.63,;-1.72,2.63,;-5.39,2.08,;-6.16,.74,;-7.7,.74,;-8.6,1.99,;-10.07,1.51,;-10.07,-.03,;-8.6,-.5,;-8.21,-1.99,;-6.72,-2.39,;-5.63,-1.3,;-6.32,-3.88,;-7.41,-4.96,;-8.9,-4.57,;-9.29,-3.08,;-10.78,-2.68,;-8.21,3.48,;-7.12,4.57,;-8.6,4.96,;3.85,-.59,;5.39,-.59,;10.01,-.59,;10.78,-1.92,;10.78,.74,)|
Cc1nc(sc1C(O)=O)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.47,5,;5.7,3.66,;4.16,3.66,;3.69,2.2,;4.93,1.29,;6.18,2.2,;7.67,1.8,;8.76,2.89,;8.06,.31,;2.35,1.43,;1.02,2.2,;-.31,1.43,;-.31,-.11,;1.02,-.88,;2.35,-.11,;1.01,-.11,;1.01,1.43,;-1.65,-.88,;-2.98,-.11,;-4.32,-.88,;-4.32,-2.42,;-5.78,-2.9,;-6.69,-1.65,;-5.78,-.41,;-6.18,1.08,;-5.09,2.17,;-3.6,1.77,;-5.49,3.66,;-6.98,4.06,;-8.06,2.97,;-7.67,1.48,;-8.76,.39,;-3.23,-3.51,;-2.83,-5,;-1.74,-3.91,)|
OC(=O)c1csc(n1)C12CCC(CC1)(CC2)\C=C\c1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(8.76,3.36,;7.67,2.27,;8.06,.78,;6.18,2.67,;5.7,4.13,;4.16,4.13,;3.69,2.67,;4.93,1.76,;2.35,1.9,;1.02,2.67,;-.31,1.9,;-.31,.36,;1.02,-.41,;2.35,.36,;1.01,.36,;1.01,1.9,;-1.65,-.41,;-2.98,.36,;-4.32,-.41,;-4.32,-1.95,;-5.78,-2.43,;-6.69,-1.18,;-5.78,.06,;-6.18,1.55,;-5.09,2.64,;-3.6,2.24,;-5.49,4.13,;-6.98,4.53,;-8.06,3.44,;-7.67,1.95,;-8.76,.86,;-3.23,-3.04,;-2.83,-4.53,;-1.74,-3.44,)|
OC(=O)c1cccc(c1)C12CCC(COCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)(CC1)CO2 |(7.22,-1.86,;7.99,-.52,;9.53,-.52,;7.22,.81,;7.99,2.14,;7.22,3.48,;5.68,3.48,;4.91,2.14,;5.68,.81,;3.37,2.14,;2.6,.81,;1.06,.81,;.29,2.14,;-1.25,2.14,;-2.02,.81,;-3.56,.81,;-4.33,-.52,;-3.85,-1.99,;-5.1,-2.89,;-6.34,-1.99,;-5.87,-.52,;-6.96,.56,;-6.56,2.05,;-5.07,2.45,;-7.65,3.14,;-9.13,2.74,;-9.53,1.25,;-8.44,.17,;-8.84,-1.32,;-2.36,-2.39,;-1.27,-3.48,;-.88,-1.99,;1.06,3.48,;2.6,3.48,;1.25,1.59,;2.42,1.59,)|
OC(=O)c1c(F)ccc2nc(sc12)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.28,6.52,;5.51,5.19,;3.97,5.19,;6.28,3.86,;7.82,3.86,;8.59,5.19,;8.59,2.52,;7.82,1.19,;6.28,1.19,;5.25,.05,;3.85,.67,;4.01,2.2,;5.51,2.52,;2.51,-.1,;1.18,.67,;-.15,-.1,;-.15,-1.64,;1.18,-2.41,;2.51,-1.64,;.95,-1.64,;1.96,-1.05,;-1.49,-2.41,;-2.82,-1.64,;-4.15,-2.41,;-4.15,-3.95,;-5.62,-4.42,;-6.52,-3.18,;-5.62,-1.93,;-6.02,-.44,;-4.93,.64,;-3.44,.25,;-5.33,2.13,;-6.82,2.53,;-7.9,1.44,;-7.51,-.05,;-8.59,-1.14,;-3.07,-5.04,;-2.67,-6.52,;-1.58,-5.44,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12C3C4C1C1C2C3C41COCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(10.72,3.92,;9.23,3.52,;8.83,2.03,;8.14,4.61,;8.54,6.1,;7.45,7.19,;5.97,6.79,;5.57,5.3,;6.66,4.21,;4.08,4.9,;2.83,5.81,;1.59,4.9,;2.06,3.44,;3.6,3.44,;.97,2.35,;-.57,2.35,;-.57,.81,;.97,.81,;-.11,-.28,;-.11,1.26,;-1.65,1.26,;-1.65,-.28,;-2.74,-1.37,;-4.23,-.97,;-5.32,-2.06,;-6.81,-1.66,;-7.28,-.2,;-8.82,-.2,;-9.3,-1.66,;-8.05,-2.57,;-8.05,-4.11,;-9.39,-4.88,;-10.72,-4.11,;-9.39,-6.42,;-8.05,-7.19,;-6.72,-6.42,;-6.72,-4.88,;-5.39,-4.11,;-6.51,1.14,;-5.18,1.91,;-6.51,2.68,)|
OC(=O)c1cccc(c1)-c1noc(n1)C12CC(COCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)(C1)C2 |(9.73,3.79,;8.24,4.19,;7.84,5.68,;7.15,3.1,;7.55,1.62,;6.46,.53,;4.97,.93,;4.57,2.41,;5.66,3.5,;3.09,2.81,;2.61,4.28,;1.07,4.28,;.59,2.81,;1.84,1.91,;-.89,2.41,;-.57,.96,;-1.62,2,;-3.1,1.61,;-3.5,.12,;-4.99,-.28,;-5.39,-1.77,;-4.48,-3.01,;-5.39,-4.26,;-6.85,-3.78,;-6.85,-2.24,;-8.19,-1.47,;-8.96,-.14,;-9.73,-1.47,;-2.94,-3.01,;-2.17,-1.68,;-2.17,-.14,;-.63,-1.68,;.14,-3.01,;-.63,-4.35,;-2.17,-4.35,;-2.94,-5.68,;-.64,3.93,;-2.94,2.36,)|
CCc1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)nn1CC(O)=O |(8.42,-.29,;7.65,1.04,;6.11,1.04,;5.21,2.29,;3.74,1.81,;2.41,2.58,;1.07,1.81,;-.26,2.58,;.87,3.87,;-.53,3.58,;-1.86,2.08,;-3.37,2.75,;-1.96,3.12,;-1.26,.75,;.21,1.2,;-3.4,2.08,;-4.17,.74,;-5.71,.74,;-6.61,1.99,;-8.08,1.51,;-8.08,-.03,;-6.61,-.5,;-5.84,-1.84,;-4.36,-2.23,;-3.27,-1.15,;-3.96,-3.72,;-5.05,-4.81,;-6.53,-4.41,;-6.93,-2.92,;-8.42,-2.53,;-5.84,3.32,;-4.76,4.41,;-6.24,4.81,;3.74,.27,;5.21,-.2,;5.98,-1.54,;5.21,-2.87,;5.98,-4.2,;3.67,-2.87,)|
OC(=O)c1cccc(COCC23CCC(CC2)(CC3)OCc2c(noc2C2CC2)-c2c(Cl)cncc2Cl)c1 |(9.42,2.54,;8.08,1.77,;8.08,.23,;6.75,2.54,;6.75,4.08,;5.41,4.85,;4.08,4.08,;4.08,2.54,;2.75,1.77,;1.41,2.54,;.08,1.77,;-1.25,2.54,;-.12,3.83,;-1.53,3.54,;-2.85,2.04,;-4.36,2.71,;-2.96,3.08,;-2.25,.71,;-.78,1.16,;-4.39,2.04,;-5.16,.7,;-6.7,.7,;-7.61,-.54,;-9.07,-.07,;-9.07,1.47,;-7.61,1.95,;-6.84,3.28,;-5.75,4.37,;-7.24,4.77,;-6.84,-1.88,;-5.35,-2.28,;-4.26,-1.19,;-4.95,-3.76,;-6.04,-4.85,;-7.53,-4.45,;-7.93,-2.97,;-9.42,-2.57,;5.41,1.77,)|
Cn1nc(cc1OCC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(2.41,-.5,;3.74,.27,;5.21,-.2,;6.11,1.04,;5.21,2.29,;3.74,1.81,;2.41,2.58,;1.07,1.81,;-.26,2.58,;.87,3.87,;-.53,3.58,;-1.86,2.08,;-3.37,2.75,;-1.96,3.12,;-1.26,.75,;.21,1.2,;-3.4,2.08,;-4.17,.74,;-5.71,.74,;-6.61,1.99,;-8.08,1.51,;-8.08,-.03,;-6.61,-.5,;-5.84,-1.84,;-4.36,-2.23,;-3.27,-1.15,;-3.96,-3.72,;-5.05,-4.81,;-6.53,-4.41,;-6.93,-2.92,;-8.42,-2.53,;-5.84,3.32,;-4.76,4.41,;-6.24,4.81,;7.65,1.04,;8.42,-.29,;8.42,2.38,)|
OC(=O)c1cc(cc(COCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)n1)C(F)(F)F |(6.75,6.01,;5.41,5.24,;4.08,6.01,;5.41,3.7,;6.75,2.93,;6.84,1.37,;5.41,.62,;4.08,1.39,;2.75,.62,;1.41,1.39,;.08,.62,;-1.25,1.39,;-.12,2.67,;-1.53,2.38,;-2.85,.88,;-4.36,1.55,;-2.96,1.93,;-2.25,-.45,;-.78,.01,;-4.39,.88,;-5.16,-.45,;-6.7,-.45,;-7.61,.79,;-9.07,.32,;-9.07,-1.22,;-7.61,-1.7,;-6.84,-3.03,;-5.35,-3.43,;-4.26,-2.34,;-4.95,-4.92,;-6.04,-6.01,;-7.53,-5.61,;-7.93,-4.12,;-9.42,-3.72,;-6.84,2.13,;-5.75,3.22,;-7.24,3.61,;4.08,2.93,;8.19,.61,;9.53,-.14,;8.94,1.96,;7.43,-.73,)|
OC(=O)c1cc(OCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)nn1CC1CC1 |(8.42,-.29,;7.65,1.04,;8.42,2.38,;6.11,1.04,;5.21,2.29,;3.74,1.81,;2.41,2.58,;1.07,1.81,;-.26,2.58,;.87,3.87,;-.53,3.58,;-1.86,2.08,;-3.37,2.75,;-1.96,3.12,;-1.26,.75,;.21,1.2,;-3.4,2.08,;-4.17,.74,;-5.71,.74,;-6.61,1.99,;-8.08,1.51,;-8.08,-.03,;-6.61,-.5,;-5.84,-1.84,;-4.36,-2.23,;-3.27,-1.15,;-3.96,-3.72,;-5.05,-4.81,;-6.53,-4.41,;-6.93,-2.92,;-8.42,-2.53,;-5.84,3.32,;-4.76,4.41,;-6.24,4.81,;3.74,.27,;5.21,-.2,;5.98,-1.54,;5.21,-2.87,;3.87,-3.64,;5.21,-4.41,)|
CCc1nc(cc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(4.75,4.85,;6.08,4.08,;6.08,2.54,;7.41,1.77,;7.41,.23,;6.08,-.54,;4.75,.23,;3.41,-.54,;2.08,.23,;2.08,1.77,;.75,2.54,;-.59,1.77,;-1.92,2.54,;-.79,3.83,;-2.19,3.54,;-3.52,2.04,;-5.03,2.71,;-3.62,3.08,;-2.92,.71,;-1.45,1.16,;-5.06,2.04,;-5.83,.7,;-7.37,.7,;-8.28,1.95,;-9.74,1.47,;-9.74,-.07,;-8.28,-.54,;-7.51,-1.88,;-6.02,-2.28,;-4.93,-1.19,;-5.62,-3.76,;-6.71,-4.85,;-8.2,-4.45,;-8.59,-2.97,;-10.08,-2.57,;-7.51,3.28,;-6.42,4.37,;-7.9,4.77,;3.41,2.54,;4.75,1.77,;8.75,-.54,;8.75,-2.08,;10.08,.23,)|
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OC(=O)c1ccn2cc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)nc2c1 |(9.61,-1.37,;8.84,-.04,;9.61,1.29,;7.3,-.04,;6.53,-1.37,;4.99,-1.37,;4.22,-.04,;2.71,.28,;2.55,1.81,;1.22,2.58,;-.11,1.81,;-1.45,2.58,;-.32,3.87,;-1.72,3.58,;-3.05,2.08,;-4.56,2.75,;-3.15,3.12,;-2.45,.75,;-.98,1.2,;-4.59,2.08,;-5.36,.74,;-6.9,.74,;-7.8,1.99,;-9.27,1.51,;-9.27,-.03,;-7.8,-.5,;-7.03,-1.84,;-5.55,-2.23,;-4.46,-1.15,;-5.15,-3.72,;-6.24,-4.81,;-7.72,-4.41,;-8.12,-2.92,;-9.61,-2.53,;-7.03,3.32,;-5.94,4.41,;-7.43,4.81,;3.96,2.44,;4.99,1.29,;6.53,1.29,)|
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CN1CCN(CC1)c1nc(cc2cc(ccc12)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(8.5,-5.55,;8.11,-4.06,;6.62,-3.67,;6.22,-2.18,;7.31,-1.09,;8.8,-1.49,;9.19,-2.98,;6.91,.4,;8,1.49,;7.6,2.98,;6.11,3.37,;5.02,2.28,;3.54,2.68,;2.45,1.59,;2.85,.11,;4.33,-.29,;5.42,.8,;.96,1.99,;-.53,2.39,;-2.02,2.79,;-3.72,3.33,;-5.13,2.95,;-3.61,2.28,;-2.29,3.79,;-.88,4.07,;-3.01,.96,;-1.54,1.41,;-5.15,2.28,;-5.92,.95,;-7.46,.95,;-8.37,2.2,;-9.83,1.72,;-9.83,.18,;-8.37,-.29,;-7.6,-1.63,;-6.11,-2.03,;-5.02,-.94,;-5.71,-3.51,;-6.8,-4.6,;-8.29,-4.21,;-8.69,-2.72,;-10.18,-2.32,;-7.6,3.53,;-6.51,4.62,;-8,5.02,;8.69,4.06,;10.18,3.67,;8.29,5.55,)|
OC(=O)COCc1ccc(cn1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(5.08,-3.08,;6.17,-1.99,;6.56,-.5,;7.65,-2.39,;8.74,-1.3,;8.34,.19,;6.86,.59,;5.77,-.5,;4.28,-.1,;3.88,1.39,;4.97,2.48,;6.46,2.08,;2.39,1.79,;.91,2.18,;-.58,2.58,;-2.28,3.12,;-3.69,2.75,;-2.18,2.08,;-.85,3.58,;.55,3.87,;-1.58,.75,;-.11,1.2,;-3.72,2.08,;-4.49,.74,;-6.03,.74,;-6.94,1.99,;-8.4,1.51,;-8.4,-.03,;-6.94,-.5,;-6.17,-1.84,;-4.68,-2.23,;-3.59,-1.15,;-4.28,-3.72,;-5.37,-4.81,;-6.86,-4.41,;-7.25,-2.92,;-8.74,-2.53,;-6.17,3.32,;-5.08,4.41,;-6.56,4.81,)|
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OC(=O)c1cc2ccc(cc2c(n1)N1CCNCC1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.34,-2.76,;8.94,-1.27,;10.03,-.19,;7.45,-.88,;7.06,.61,;5.57,1.01,;5.17,2.5,;3.68,2.9,;2.59,1.81,;2.99,.32,;4.48,-.08,;4.88,-1.57,;6.37,-1.96,;3.79,-2.65,;2.3,-2.26,;1.21,-3.35,;1.61,-4.83,;3.1,-5.23,;4.19,-4.14,;1.11,2.21,;-.38,2.6,;-1.87,3,;-3.57,3.54,;-4.98,3.17,;-3.47,2.5,;-2.14,4,;-.74,4.29,;-2.87,1.17,;-1.4,1.62,;-5.01,2.5,;-5.78,1.16,;-7.32,1.16,;-8.22,2.41,;-9.69,1.93,;-9.69,.39,;-8.22,-.08,;-7.45,-1.42,;-5.97,-1.81,;-4.88,-.72,;-5.57,-3.3,;-6.66,-4.39,;-8.14,-3.99,;-8.54,-2.5,;-10.03,-2.11,;-7.45,3.74,;-6.37,4.83,;-7.85,5.23,)|
OC(=O)c1cc2ccc(cc2c(OCCN2CCCC2)n1)C#CC12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(9.34,-3.18,;8.94,-1.69,;10.03,-.61,;7.45,-1.3,;7.06,.19,;5.57,.59,;5.17,2.08,;3.68,2.48,;2.59,1.39,;2.99,-.1,;4.48,-.5,;4.88,-1.99,;3.79,-3.08,;2.3,-2.68,;1.21,-3.77,;-.28,-3.37,;-.75,-1.9,;-2.29,-1.9,;-2.77,-3.37,;-1.52,-4.27,;6.37,-2.39,;1.11,1.79,;-.38,2.18,;-1.87,2.58,;-3.57,3.12,;-4.98,2.75,;-3.47,2.08,;-2.14,3.58,;-.74,3.87,;-2.87,.75,;-1.4,1.2,;-5.01,2.08,;-5.78,.74,;-7.32,.74,;-8.22,1.99,;-9.69,1.51,;-9.69,-.03,;-8.22,-.5,;-7.45,-1.84,;-5.97,-2.23,;-4.88,-1.15,;-5.57,-3.72,;-6.66,-4.81,;-8.14,-4.41,;-8.54,-2.92,;-10.03,-2.53,;-7.45,3.32,;-6.37,4.41,;-7.85,4.81,)|
CCOc1nc(cc2ccc(OCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(3.41,4.08,;4.75,4.85,;6.08,4.08,;6.08,2.54,;7.41,1.77,;7.41,.23,;6.08,-.54,;4.75,.23,;3.41,-.54,;2.08,.23,;2.08,1.77,;.75,2.54,;-.59,1.77,;-1.92,2.54,;-.79,3.83,;-2.19,3.54,;-3.52,2.04,;-5.03,2.71,;-3.62,3.08,;-2.92,.71,;-1.45,1.16,;-5.06,2.04,;-5.83,.7,;-7.37,.7,;-8.28,1.95,;-9.74,1.47,;-9.74,-.07,;-8.28,-.54,;-7.51,-1.88,;-6.02,-2.28,;-4.93,-1.19,;-5.62,-3.76,;-6.71,-4.85,;-8.2,-4.45,;-8.59,-2.97,;-10.08,-2.57,;-7.51,3.28,;-6.42,4.37,;-7.9,4.77,;3.41,2.54,;4.75,1.77,;8.75,-.54,;10.08,.23,;8.75,-2.08,)|
OC(=O)Cn1ccc(NCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)n1 |(7.13,-4.2,;6.36,-2.87,;4.82,-2.87,;7.13,-1.54,;6.36,-.2,;7.27,1.04,;6.36,2.29,;4.9,1.81,;3.56,2.58,;2.23,1.81,;.9,2.58,;2.03,3.87,;.62,3.58,;-.7,2.08,;-2.22,2.75,;-.81,3.12,;-.1,.75,;1.37,1.2,;-2.24,2.08,;-3.01,.74,;-4.55,.74,;-5.46,1.99,;-6.92,1.51,;-6.92,-.03,;-5.46,-.5,;-4.69,-1.84,;-3.2,-2.23,;-2.11,-1.15,;-2.8,-3.72,;-3.89,-4.81,;-5.38,-4.41,;-5.78,-2.92,;-7.27,-2.53,;-4.69,3.32,;-3.6,4.41,;-5.09,4.81,;4.9,.27,)|
Cc1nc(NCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)sc1CC(O)=O |(8.04,1.04,;6.5,1.04,;5.59,2.29,;4.13,1.81,;2.79,2.58,;1.46,1.81,;.13,2.58,;1.26,3.87,;-.15,3.58,;-1.47,2.08,;-2.99,2.75,;-1.58,3.12,;-.87,.75,;.6,1.2,;-3.01,2.08,;-3.78,.74,;-5.32,.74,;-6.23,1.99,;-7.69,1.51,;-7.69,-.03,;-6.23,-.5,;-5.46,-1.84,;-3.97,-2.23,;-2.88,-1.15,;-3.57,-3.72,;-4.66,-4.81,;-6.15,-4.41,;-6.55,-2.92,;-8.04,-2.53,;-5.46,3.32,;-4.37,4.41,;-5.86,4.81,;4.13,.27,;5.59,-.2,;6.36,-1.54,;5.59,-2.87,;6.36,-4.2,;4.05,-2.87,)|
OC(=O)c1cn2CCN(CC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)Cc2n1 |(9.09,1.98,;8.32,3.31,;9.09,4.65,;6.78,3.31,;5.87,4.56,;4.41,4.08,;3.07,4.85,;1.74,4.08,;1.74,2.54,;.41,1.77,;-.93,2.54,;.21,3.83,;-1.2,3.54,;-2.53,2.04,;-4.04,2.71,;-2.63,3.08,;-1.92,.71,;-.45,1.16,;-4.07,2.04,;-4.84,.7,;-6.38,.7,;-7.28,1.95,;-8.75,1.47,;-8.75,-.07,;-7.28,-.54,;-6.51,-1.88,;-5.02,-2.28,;-3.93,-1.19,;-4.63,-3.76,;-5.71,-4.85,;-7.2,-4.45,;-7.6,-2.97,;-9.09,-2.57,;-6.51,3.28,;-5.42,4.37,;-6.91,4.77,;3.07,1.77,;4.41,2.54,;5.87,2.07,)|
OC(=O)c1ccc(NCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1 |(8.75,.27,;7.41,-.5,;7.41,-2.04,;6.08,.27,;4.75,-.5,;3.41,.27,;3.41,1.81,;2.08,2.58,;.75,1.81,;-.59,2.58,;.55,3.87,;-.86,3.58,;-2.19,2.08,;-3.7,2.75,;-2.29,3.12,;-1.59,.75,;-.11,1.2,;-3.73,2.08,;-4.5,.74,;-6.04,.74,;-6.94,1.99,;-8.41,1.51,;-8.41,-.03,;-6.94,-.5,;-6.17,-1.84,;-4.68,-2.23,;-3.6,-1.15,;-4.29,-3.72,;-5.37,-4.81,;-6.86,-4.41,;-7.26,-2.92,;-8.75,-2.53,;-6.17,3.32,;-5.08,4.41,;-6.57,4.81,;4.75,2.58,;6.08,1.81,)|
OC(=O)c1cncc(NCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(7.41,-2.81,;6.08,-2.04,;4.75,-2.81,;6.08,-.5,;7.41,.27,;7.41,1.81,;6.08,2.58,;4.75,1.81,;3.41,2.58,;2.08,1.81,;.75,2.58,;1.88,3.87,;.47,3.58,;-.85,2.08,;-2.36,2.75,;-.96,3.12,;-.25,.75,;1.22,1.2,;-2.39,2.08,;-3.16,.74,;-4.7,.74,;-5.61,1.99,;-7.07,1.51,;-7.07,-.03,;-5.61,-.5,;-4.84,-1.84,;-3.35,-2.23,;-2.26,-1.15,;-2.95,-3.72,;-4.04,-4.81,;-5.53,-4.41,;-5.93,-2.92,;-7.41,-2.53,;-4.84,3.32,;-3.75,4.41,;-5.24,4.81,;4.75,.27,)|
Cn1nc(NCC23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C(O)=O |(5.98,-1.54,;5.21,-.2,;3.74,.27,;3.74,1.81,;2.41,2.58,;1.07,1.81,;-.26,2.58,;.87,3.87,;-.53,3.58,;-1.86,2.08,;-3.37,2.75,;-1.96,3.12,;-1.26,.75,;.21,1.2,;-3.4,2.08,;-4.17,.74,;-5.71,.74,;-6.61,1.99,;-8.08,1.51,;-8.08,-.03,;-6.61,-.5,;-5.84,-1.84,;-4.36,-2.23,;-3.27,-1.15,;-3.96,-3.72,;-5.05,-4.81,;-6.53,-4.41,;-6.93,-2.92,;-8.42,-2.53,;-5.84,3.32,;-4.76,4.41,;-6.24,4.81,;5.21,2.29,;6.11,1.04,;7.65,1.04,;8.42,-.29,;8.42,2.38,)|
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OC(=O)c1cc(cc(OC2CC2)n1)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(noc1C1CC1)-c1c(Cl)cncc1Cl |(8.72,-1.5,;7.63,-.41,;8.03,1.07,;6.14,-.81,;5.05,.28,;3.56,-.12,;3.17,-1.61,;4.25,-2.7,;3.86,-4.19,;2.37,-4.58,;.88,-4.19,;1.28,-5.67,;5.74,-2.3,;2.79,1.21,;3.27,2.68,;2.02,3.58,;.78,2.68,;1.25,1.21,;-.56,3.45,;-2.26,3.99,;-3.67,3.61,;-2.16,2.94,;-.83,4.44,;.58,4.73,;-1.55,1.61,;-.08,2.07,;-3.7,2.94,;-4.47,1.61,;-6.01,1.61,;-6.91,.36,;-8.37,.84,;-8.37,2.38,;-6.91,2.85,;-6.14,4.19,;-5.05,5.28,;-6.54,5.67,;-6.14,-.97,;-4.65,-1.37,;-3.56,-.28,;-4.25,-2.86,;-5.34,-3.95,;-6.83,-3.55,;-7.23,-2.06,;-8.72,-1.66,)|
COc1c(cccc1-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1)C(O)=O |(4.36,1.99,;5.45,.9,;5.05,-.59,;6.14,-1.68,;5.74,-3.16,;4.25,-3.56,;3.17,-2.47,;3.56,-.99,;2.79,.35,;3.27,1.81,;2.02,2.72,;.78,1.81,;1.25,.35,;-.56,2.58,;-2.26,3.12,;-3.67,2.75,;-2.16,2.08,;-.83,3.58,;.58,3.87,;-1.55,.75,;-.08,1.2,;-3.7,2.08,;-4.47,.74,;-6.01,.74,;-6.91,1.99,;-8.37,1.51,;-8.37,-.03,;-6.91,-.5,;-6.14,-1.84,;-4.65,-2.23,;-3.56,-1.15,;-4.25,-3.72,;-5.34,-4.81,;-6.83,-4.41,;-7.23,-2.92,;-8.72,-2.53,;-6.14,3.32,;-5.05,4.41,;-6.54,4.81,;7.63,-1.28,;8.72,-2.37,;8.03,.21,)|
COc1ncc(cc1C(O)=O)-c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1-c1c(Cl)cncc1Cl)C1CC1 |(6.43,-5.28,;6.83,-3.79,;5.74,-2.7,;4.25,-3.1,;3.17,-2.01,;3.56,-.52,;5.05,-.12,;6.14,-1.21,;7.63,-.81,;8.72,-1.9,;8.03,.67,;2.79,.81,;3.27,2.28,;2.02,3.18,;.78,2.28,;1.25,.81,;-.56,3.05,;-2.26,3.59,;-3.67,3.21,;-2.16,2.54,;-.83,4.04,;.58,4.33,;-1.55,1.21,;-.08,1.67,;-3.7,2.54,;-4.47,1.21,;-6.01,1.21,;-6.91,2.45,;-8.37,1.98,;-8.37,.44,;-6.91,-.04,;-6.14,-1.37,;-4.65,-1.77,;-3.56,-.68,;-4.25,-3.26,;-5.34,-4.35,;-6.83,-3.95,;-7.23,-2.46,;-8.72,-2.06,;-6.14,3.79,;-5.05,4.88,;-6.54,5.28,)|
CC(C)Oc1cc(nc2ccc(CCC34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(2.9,-4.16,;3.99,-3.08,;5.48,-3.47,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-.54,3.87,;-1.94,3.58,;-3.27,2.08,;-4.78,2.75,;-3.37,3.12,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;4.82,.99,;3.34,1.39,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;4.03,3.96,;5.51,3.56,)|
OC(=O)c1ccc2cc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.17,-.9,;4.68,-.5,;4.28,.99,;2.79,1.39,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;3.48,3.96,;4.97,3.56,;5.37,2.08,;6.86,1.68,)|
OC(=O)c1cc(OC2CCCC2)c2cc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccc2n1 |(9.14,-1.32,;8.74,.17,;9.83,1.26,;7.25,.57,;6.17,-.52,;4.68,-.12,;3.59,-1.21,;3.99,-2.7,;5.45,-3.17,;5.45,-4.71,;3.99,-5.19,;3.08,-3.94,;4.28,1.37,;2.79,1.77,;2.39,3.25,;.91,3.65,;-.18,2.56,;-1.67,2.96,;-3.37,3.5,;-4.78,3.12,;-3.27,2.46,;-1.94,3.96,;-.54,4.24,;-2.67,1.13,;-1.2,1.58,;-4.81,2.46,;-5.58,1.12,;-7.12,1.12,;-8.02,2.37,;-9.49,1.89,;-9.49,.35,;-8.02,-.12,;-7.25,-1.46,;-5.77,-1.86,;-4.68,-.77,;-5.37,-3.34,;-6.46,-4.43,;-7.95,-4.03,;-8.34,-2.55,;-9.83,-2.15,;-7.25,3.7,;-6.17,4.79,;-7.65,5.19,;3.48,4.34,;4.97,3.94,;5.37,2.46,;6.86,2.06,)|
COc1nc(nc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(3.99,-3.08,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
CC(C)Oc1cc(nc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(2.9,-4.16,;3.99,-3.08,;5.48,-3.47,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)c1cnc2cc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)ccn12 |(9.71,2.08,;8.38,2.85,;8.38,4.39,;7.04,2.08,;7.04,.54,;5.58,.06,;4.67,1.31,;3.14,1.47,;2.51,2.87,;1.03,3.27,;-.06,2.18,;-1.55,2.58,;-3.25,3.12,;-4.66,2.75,;-3.15,2.08,;-1.82,3.58,;-.42,3.87,;-2.55,.75,;-1.08,1.2,;-4.69,2.08,;-5.46,.74,;-7,.74,;-7.9,1.99,;-9.37,1.51,;-9.37,-.03,;-7.9,-.5,;-7.13,-1.84,;-5.65,-2.23,;-4.56,-1.15,;-5.25,-3.72,;-6.34,-4.81,;-7.82,-4.41,;-8.22,-2.92,;-9.71,-2.53,;-7.13,3.32,;-6.04,4.41,;-7.53,4.81,;3.42,4.12,;4.95,3.96,;5.58,2.55,)|
OC(=O)c1cnc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cn12 |(4.6,-1.27,;6.14,-1.27,;6.91,-2.61,;6.91,.06,;8.38,.54,;8.38,2.08,;6.91,2.55,;6.29,3.96,;4.75,4.12,;3.85,2.87,;2.36,3.27,;1.27,2.18,;-.22,2.58,;-1.92,3.12,;-3.33,2.75,;-1.81,2.08,;-.49,3.58,;.92,3.87,;-1.21,.75,;.26,1.2,;-3.35,2.08,;-4.12,.74,;-5.66,.74,;-6.57,1.99,;-8.03,1.51,;-8.03,-.03,;-6.57,-.5,;-5.8,-1.84,;-4.31,-2.23,;-3.22,-1.15,;-3.91,-3.72,;-5,-4.81,;-6.49,-4.41,;-6.89,-2.92,;-8.38,-2.53,;-5.8,3.32,;-4.71,4.41,;-6.2,4.81,;4.47,1.47,;6.01,1.31,)|
OC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1F |(6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;4.82,.99,;3.34,1.39,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;4.03,3.96,;5.51,3.56,;6.6,4.65,)|
Cn1c(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(4.81,-1.27,;5.58,.06,;7.04,.54,;7.04,2.08,;5.58,2.55,;4.95,3.96,;3.42,4.12,;2.51,2.87,;1.03,3.27,;-.06,2.18,;-1.55,2.58,;-3.25,3.12,;-4.66,2.75,;-3.15,2.08,;-1.82,3.58,;-.42,3.87,;-2.55,.75,;-1.08,1.2,;-4.69,2.08,;-5.46,.74,;-7,.74,;-7.9,1.99,;-9.37,1.51,;-9.37,-.03,;-7.9,-.5,;-7.13,-1.84,;-5.65,-2.23,;-4.56,-1.15,;-5.25,-3.72,;-6.34,-4.81,;-7.82,-4.41,;-8.22,-2.92,;-9.71,-2.53,;-7.13,3.32,;-6.04,4.41,;-7.53,4.81,;3.14,1.47,;4.67,1.31,;8.38,-.23,;8.38,-1.77,;9.71,.54,)|
OC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cn1 |(6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;4.82,.99,;3.34,1.39,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;4.03,3.96,;5.51,3.56,)|
Cn1c(cc2c(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cccc12)C(O)=O |(7.67,-1.42,;6.34,-.65,;4.87,-1.12,;3.97,.12,;4.87,1.37,;4.55,2.87,;3.07,3.27,;1.98,2.18,;.49,2.58,;-1.21,3.12,;-2.62,2.75,;-1.11,2.08,;.22,3.58,;1.62,3.87,;-.51,.75,;.96,1.2,;-2.65,2.08,;-3.42,.74,;-4.96,.74,;-5.87,1.99,;-7.33,1.51,;-7.33,-.03,;-5.87,-.5,;-5.1,-1.84,;-3.61,-2.23,;-2.52,-1.15,;-3.21,-3.72,;-4.3,-4.81,;-5.79,-4.41,;-6.18,-2.92,;-7.67,-2.53,;-5.1,3.32,;-4.01,4.41,;-5.49,4.81,;5.7,3.91,;7.16,3.43,;7.48,1.92,;6.34,.89,;4.1,-2.46,;4.87,-3.79,;2.56,-2.46,)|
CCOc1cc(nc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(2.9,-4.16,;3.99,-3.08,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(Cl)n1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;3.59,-1.59,;6.17,-.9,)|
OC(=O)Cc1cccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1 |(6.22,-3.08,;5.82,-1.59,;4.33,-1.19,;6.91,-.5,;6.51,.99,;7.6,2.08,;7.2,3.56,;5.71,3.96,;4.63,2.87,;3.14,3.27,;2.05,2.18,;.56,2.58,;-1.14,3.12,;-2.55,2.75,;-1.04,2.08,;.29,3.58,;1.69,3.87,;-.44,.75,;1.03,1.2,;-2.58,2.08,;-3.35,.74,;-4.89,.74,;-5.79,1.99,;-7.26,1.51,;-7.26,-.03,;-5.79,-.5,;-5.02,-1.84,;-3.54,-2.23,;-2.45,-1.15,;-3.14,-3.72,;-4.23,-4.81,;-5.71,-4.41,;-6.11,-2.92,;-7.6,-2.53,;-5.02,3.32,;-3.93,4.41,;-5.42,4.81,;5.02,1.39,)|
COCCCOc1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(-3.05,-2.57,;-1.56,-2.97,;-.47,-1.88,;1.01,-2.28,;2.1,-1.19,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c(F)c1 |(6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;5.51,3.56,;4.03,3.96,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;3.34,1.39,;2.25,.3,;4.82,.99,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(n1)N1CCOCC1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;6.17,-.9,;3.59,-1.59,;2.1,-1.19,;1.01,-2.28,;1.41,-3.77,;2.9,-4.16,;3.99,-3.08,)|
CCOc1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(1.01,-2.28,;2.1,-1.19,;3.59,-1.59,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
COc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1CCC(O)=O |(8.54,.19,;8.14,1.68,;6.66,2.08,;6.26,3.56,;4.77,3.96,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.08,1.39,;5.57,.99,;5.97,-.5,;4.88,-1.59,;3.39,-1.19,;2.3,-2.28,;2.99,.3,)|
OC(=O)CCc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(5.97,-.5,;7.45,-.9,;7.85,-2.39,;8.54,.19,;8.14,1.68,;6.66,2.08,;5.57,.99,;4.08,1.39,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.77,3.96,;6.26,3.56,)|
OC(=O)CCc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1F |(5.97,-.5,;7.45,-.9,;7.85,-2.39,;8.54,.19,;8.14,1.68,;6.66,2.08,;5.57,.99,;4.08,1.39,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.77,3.96,;6.26,3.56,;7.35,4.65,)|
OC(=O)COc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c(F)c1 |(5.97,-.5,;7.45,-.9,;7.85,-2.39,;8.54,.19,;8.14,1.68,;6.66,2.08,;6.26,3.56,;4.77,3.96,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.08,1.39,;2.99,.3,;5.57,.99,)|
COC1CN(C1)c1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(-.53,-3.82,;.96,-4.22,;2.05,-3.13,;2.05,-1.59,;3.59,-1.59,;3.59,-3.13,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC1CN(C1)c1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(.96,-4.22,;2.05,-3.13,;2.05,-1.59,;3.59,-1.59,;3.59,-3.13,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(n1)N1CC(F)C1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;6.17,-.9,;3.59,-1.59,;2.05,-1.59,;2.05,-3.13,;.96,-4.22,;3.59,-3.13,)|
OCC1CN(C1)c1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(-.53,-3.82,;.96,-4.22,;2.05,-3.13,;2.05,-1.59,;3.59,-1.59,;3.59,-3.13,;4.68,-.5,;6.17,-.9,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;8.74,-.21,;9.14,-1.69,;9.83,.88,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(OC2CCC2)n1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;3.59,-1.59,;2.1,-1.19,;1.33,.14,;-0,-.63,;.77,-1.96,;6.17,-.9,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(OC2CC2)n1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;3.59,-1.59,;2.1,-1.19,;1.01,-.1,;.61,-1.59,;6.17,-.9,)|
OC(=O)c1cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2c(OC2CCCC2)n1 |(9.14,-1.69,;8.74,-.21,;9.83,.88,;7.25,.19,;6.86,1.68,;5.37,2.08,;4.97,3.56,;3.48,3.96,;2.39,2.87,;.91,3.27,;-.18,2.18,;-1.67,2.58,;-3.37,3.12,;-4.78,2.75,;-3.27,2.08,;-1.94,3.58,;-.54,3.87,;-2.67,.75,;-1.2,1.2,;-4.81,2.08,;-5.58,.74,;-7.12,.74,;-8.02,1.99,;-9.49,1.51,;-9.49,-.03,;-8.02,-.5,;-7.25,-1.84,;-5.77,-2.23,;-4.68,-1.15,;-5.37,-3.72,;-6.46,-4.81,;-7.95,-4.41,;-8.34,-2.92,;-9.83,-2.53,;-7.25,3.32,;-6.17,4.41,;-7.65,4.81,;2.79,1.39,;4.28,.99,;4.68,-.5,;3.59,-1.59,;2.1,-1.19,;1.63,.28,;.09,.28,;-.39,-1.19,;.86,-2.09,;6.17,-.9,)|
OC(=O)COc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cn1 |(5.97,-.5,;7.45,-.9,;7.85,-2.39,;8.54,.19,;8.14,1.68,;6.66,2.08,;5.57,.99,;4.08,1.39,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.77,3.96,;6.26,3.56,)|
OC(=O)COc1cc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)ccn1 |(3.24,-2.28,;4.33,-1.19,;3.93,.3,;5.82,-1.59,;6.91,-.5,;6.51,.99,;5.02,1.39,;4.63,2.87,;3.14,3.27,;2.05,2.18,;.56,2.58,;-1.14,3.12,;-2.55,2.75,;-1.04,2.08,;.29,3.58,;1.69,3.87,;-.44,.75,;1.03,1.2,;-2.58,2.08,;-3.35,.74,;-4.89,.74,;-5.79,1.99,;-7.26,1.51,;-7.26,-.03,;-5.79,-.5,;-5.02,-1.84,;-3.54,-2.23,;-2.45,-1.15,;-3.14,-3.72,;-4.23,-4.81,;-5.71,-4.41,;-6.11,-2.92,;-7.6,-2.53,;-5.02,3.32,;-3.93,4.41,;-5.42,4.81,;5.71,3.96,;7.2,3.56,;7.6,2.08,)|
CNC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(5.22,-.5,;6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;4.82,.99,;3.34,1.39,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;4.03,3.96,;5.51,3.56,)|
Clc1cncc(Cl)c1-c1noc(C2CC2)c1COC12CCC(CC1)(CC2)\C=C\c1ccc(Cc2nn[nH]n2)cc1 |(-4.31,-1.15,;-5.4,-2.23,;-5,-3.72,;-6.09,-4.81,;-7.57,-4.41,;-7.97,-2.92,;-9.46,-2.53,;-6.88,-1.84,;-7.65,-.5,;-9.12,-.03,;-9.12,1.51,;-7.65,1.99,;-6.88,3.32,;-5.8,4.41,;-7.28,4.81,;-6.75,.74,;-5.21,.74,;-4.44,2.08,;-2.9,2.08,;-4.41,2.75,;-3,3.12,;-1.3,2.58,;-.17,3.87,;-1.57,3.58,;-.83,1.2,;-2.3,.75,;.19,2.18,;1.28,3.27,;2.76,2.87,;3.16,1.39,;4.65,.99,;5.74,2.08,;7.23,1.68,;8,.35,;9.46,-.13,;9.46,-1.67,;8,-2.15,;7.09,-.9,;5.34,3.56,;3.85,3.96,)|
CN(C)C(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(5.22,-.5,;6.71,-.9,;7.11,-2.39,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;4.82,.99,;3.34,1.39,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;4.03,3.96,;5.51,3.56,)|
OC(=O)Cc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c(c1)C(F)(F)F |(6.71,-.9,;7.8,.19,;9.29,-.21,;7.4,1.68,;5.91,2.08,;5.51,3.56,;4.03,3.96,;2.94,2.87,;1.45,3.27,;.36,2.18,;-1.13,2.58,;-2.83,3.12,;-4.24,2.75,;-2.73,2.08,;-1.4,3.58,;.01,3.87,;-2.12,.75,;-.65,1.2,;-4.27,2.08,;-5.04,.74,;-6.58,.74,;-7.48,1.99,;-8.95,1.51,;-8.95,-.03,;-7.48,-.5,;-6.71,-1.84,;-5.22,-2.23,;-4.13,-1.15,;-4.82,-3.72,;-5.91,-4.81,;-7.4,-4.41,;-7.8,-2.92,;-9.29,-2.53,;-6.71,3.32,;-5.62,4.41,;-7.11,4.81,;3.34,1.39,;4.82,.99,;2.25,.3,;.76,.7,;2.65,-1.19,;1.16,-.79,)|
OC(=O)COCc1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(6.37,-3.47,;7.45,-2.39,;8.94,-2.78,;7.06,-.9,;8.14,.19,;7.75,1.68,;6.26,2.08,;5.17,.99,;3.68,1.39,;3.28,2.87,;1.8,3.27,;.71,2.18,;-.78,2.58,;-2.48,3.12,;-3.89,2.75,;-2.38,2.08,;-1.05,3.58,;.35,3.87,;-1.78,.75,;-.31,1.2,;-3.92,2.08,;-4.69,.74,;-6.23,.74,;-7.14,1.99,;-8.6,1.51,;-8.6,-.03,;-7.14,-.5,;-6.37,-1.84,;-4.88,-2.23,;-3.79,-1.15,;-4.48,-3.72,;-5.57,-4.81,;-7.06,-4.41,;-7.45,-2.92,;-8.94,-2.53,;-6.37,3.32,;-5.28,4.41,;-6.76,4.81,;4.37,3.96,;5.86,3.56,)|
OC(=O)CCc1cccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1 |(3.24,-2.28,;4.33,-1.19,;3.93,.3,;5.82,-1.59,;6.91,-.5,;6.51,.99,;7.6,2.08,;7.2,3.56,;5.71,3.96,;4.63,2.87,;3.14,3.27,;2.05,2.18,;.56,2.58,;-1.14,3.12,;-2.55,2.75,;-1.04,2.08,;.29,3.58,;1.69,3.87,;-.44,.75,;1.03,1.2,;-2.58,2.08,;-3.35,.74,;-4.89,.74,;-5.79,1.99,;-7.26,1.51,;-7.26,-.03,;-5.79,-.5,;-5.02,-1.84,;-3.54,-2.23,;-2.45,-1.15,;-3.14,-3.72,;-4.23,-4.81,;-5.71,-4.41,;-6.11,-2.92,;-7.6,-2.53,;-5.02,3.32,;-3.93,4.41,;-5.42,4.81,;5.02,1.39,)|
OC(=O)CCc1cc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)ccc1OCC(F)F |(2.3,-2.28,;3.39,-1.19,;2.99,.3,;4.88,-1.59,;5.97,-.5,;5.57,.99,;4.08,1.39,;3.68,2.87,;2.19,3.27,;1.11,2.18,;-.38,2.58,;-2.09,3.12,;-3.49,2.75,;-1.98,2.08,;-.66,3.58,;.75,3.87,;-1.38,.75,;.09,1.2,;-3.52,2.08,;-4.29,.74,;-5.83,.74,;-6.74,1.99,;-8.2,1.51,;-8.2,-.03,;-6.74,-.5,;-5.97,-1.84,;-4.48,-2.23,;-3.39,-1.15,;-4.08,-3.72,;-5.17,-4.81,;-6.66,-4.41,;-7.06,-2.92,;-8.54,-2.53,;-5.97,3.32,;-4.88,4.41,;-6.37,4.81,;4.77,3.96,;6.26,3.56,;6.66,2.08,;8.14,1.68,;8.54,.19,;7.45,-.9,;7.85,-2.39,;6.37,.19,)|
OC(=O)c1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(8.2,.19,;7.8,1.68,;8.89,2.77,;6.31,2.08,;5.22,.99,;3.74,1.39,;3.34,2.87,;1.85,3.27,;.76,2.18,;-.73,2.58,;-2.43,3.12,;-3.84,2.75,;-2.33,2.08,;-1,3.58,;.41,3.87,;-1.73,.75,;-.25,1.2,;-3.87,2.08,;-4.64,.74,;-6.18,.74,;-7.08,1.99,;-8.55,1.51,;-8.55,-.03,;-7.08,-.5,;-6.31,-1.84,;-4.82,-2.23,;-3.74,-1.15,;-4.43,-3.72,;-5.51,-4.81,;-7,-4.41,;-7.4,-2.92,;-8.89,-2.53,;-6.31,3.32,;-5.22,4.41,;-6.71,4.81,;4.43,3.96,;5.91,3.56,)|
OC(=O)c1cc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)ccn1 |(5.42,-1.59,;6.51,-.5,;8,-.9,;6.11,.99,;4.63,1.39,;4.23,2.87,;2.74,3.27,;1.65,2.18,;.16,2.58,;-1.54,3.12,;-2.95,2.75,;-1.44,2.08,;-.11,3.58,;1.29,3.87,;-.84,.75,;.64,1.2,;-2.98,2.08,;-3.75,.74,;-5.29,.74,;-6.19,1.99,;-7.66,1.51,;-7.66,-.03,;-6.19,-.5,;-5.42,-1.84,;-3.93,-2.23,;-2.85,-1.15,;-3.54,-3.72,;-4.63,-4.81,;-6.11,-4.41,;-6.51,-2.92,;-8,-2.53,;-5.42,3.32,;-4.33,4.41,;-5.82,4.81,;5.32,3.96,;6.8,3.56,;7.2,2.08,)|
OC(=O)c1cncc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)c1 |(5.42,-1.59,;6.51,-.5,;8,-.9,;6.11,.99,;7.2,2.08,;6.8,3.56,;5.32,3.96,;4.23,2.87,;2.74,3.27,;1.65,2.18,;.16,2.58,;-1.54,3.12,;-2.95,2.75,;-1.44,2.08,;-.11,3.58,;1.29,3.87,;-.84,.75,;.64,1.2,;-2.98,2.08,;-3.75,.74,;-5.29,.74,;-6.19,1.99,;-7.66,1.51,;-7.66,-.03,;-6.19,-.5,;-5.42,-1.84,;-3.93,-2.23,;-2.85,-1.15,;-3.54,-3.72,;-4.63,-4.81,;-6.11,-4.41,;-6.51,-2.92,;-8,-2.53,;-5.42,3.32,;-4.33,4.41,;-5.82,4.81,;4.63,1.39,)|
OC(=O)c1csc(n1)-c1ccc(\C=C\C23CCC(CC2)(CC3)OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1 |(10.51,-1.12,;8.97,-1.12,;8.2,-2.45,;8.2,.21,;8.67,1.68,;7.43,2.58,;6.18,1.68,;6.66,.21,;4.69,2.08,;3.6,.99,;2.12,1.39,;1.72,2.87,;.23,3.27,;-.86,2.18,;-2.35,2.58,;-4.05,3.12,;-5.46,2.75,;-3.95,2.08,;-2.62,3.58,;-1.21,3.87,;-3.34,.75,;-1.87,1.2,;-5.49,2.08,;-6.26,.74,;-7.8,.74,;-8.7,1.99,;-10.16,1.51,;-10.16,-.03,;-8.7,-.5,;-7.93,-1.84,;-6.44,-2.23,;-5.35,-1.15,;-6.04,-3.72,;-7.13,-4.81,;-8.62,-4.41,;-9.02,-2.92,;-10.51,-2.53,;-7.93,3.32,;-6.84,4.41,;-8.33,4.81,;2.81,3.96,;4.29,3.56,)|
CN1CCN(CC1)c1nc(cc2ccc(\C=C\C34CCC(CC3)(CC4)OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc12)C(O)=O |(.32,-4.83,;1.41,-3.74,;1.01,-2.26,;2.1,-1.17,;3.59,-1.57,;3.99,-3.05,;2.9,-4.14,;4.68,-.48,;6.17,-.88,;7.25,.21,;6.86,1.7,;5.37,2.1,;4.97,3.59,;3.48,3.99,;2.39,2.9,;.91,3.3,;-.18,2.21,;-1.67,2.6,;-3.37,3.15,;-4.78,2.77,;-3.27,2.1,;-1.94,3.6,;-.54,3.89,;-2.67,.77,;-1.2,1.23,;-4.81,2.1,;-5.58,.77,;-7.12,.77,;-8.02,2.01,;-9.49,1.54,;-9.49,-0,;-8.02,-.48,;-7.25,-1.81,;-5.77,-2.21,;-4.68,-1.12,;-5.37,-3.7,;-6.46,-4.79,;-7.95,-4.39,;-8.34,-2.9,;-9.83,-2.5,;-7.25,3.35,;-6.17,4.43,;-7.65,4.83,;2.79,1.41,;4.28,1.01,;8.74,-.19,;9.14,-1.67,;9.83,.9,)|
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2ccc(F)cc2F)C2CC2)cc1Cl
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |(-10.51,4.48,;-8.97,4.48,;-8.2,5.81,;-8.2,3.14,;-8.97,1.81,;-8.2,.48,;-6.66,.48,;-5.89,1.81,;-6.66,3.14,;-4.35,1.81,;-3.26,2.9,;-2.17,1.81,;-2.17,3.35,;-3.26,.72,;-.63,1.81,;.14,3.14,;1.68,3.14,;2.45,1.81,;3.99,1.81,;5.13,.78,;6.6,1.25,;7.07,2.72,;8.61,2.72,;9.09,1.25,;7.84,.35,;7.84,-1.19,;9.18,-1.96,;10.51,-1.19,;9.18,-3.5,;7.84,-4.27,;7.84,-5.81,;6.51,-3.5,;6.51,-1.96,;5.18,-1.19,;6.17,3.97,;6.01,5.5,;4.76,4.59,;1.68,.48,;.14,.48,;-.63,-.86,)|
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(onc3-c3c(Cl)cc(F)cc3Cl)C3CC3)cc2Cl)c(F)c1 |(-10.9,.63,;-10.13,1.97,;-10.9,3.3,;-8.59,1.97,;-7.82,.63,;-6.28,.63,;-5.51,1.97,;-3.97,1.97,;-2.88,3.05,;-1.79,1.97,;-1.79,3.51,;-2.88,.88,;-.25,1.97,;.52,3.3,;2.06,3.3,;2.83,1.97,;4.37,1.97,;5.52,.94,;6.98,1.41,;7.46,2.88,;9,2.88,;9.47,1.41,;8.23,.51,;8.23,-1.03,;9.56,-1.8,;10.9,-1.03,;9.56,-3.34,;8.23,-4.11,;8.23,-5.65,;6.89,-3.34,;6.89,-1.8,;5.56,-1.03,;6.55,4.12,;6.39,5.65,;5.15,4.75,;2.06,.63,;.52,.63,;-.25,-.7,;-6.28,3.3,;-5.51,4.63,;-7.82,3.3,)|
Cc1onc(c1COc1ccc(c(Cl)c1)C1(O)CN(C1)c1ncc(cc1F)C(O)=O)-c1c(Cl)cc(F)cc1Cl |(6.55,4.63,;7.46,3.39,;9,3.39,;9.47,1.92,;8.23,1.02,;6.98,1.92,;5.52,1.45,;4.37,2.48,;2.83,2.48,;2.06,3.81,;.52,3.81,;-.25,2.48,;.52,1.14,;-.25,-.19,;2.06,1.14,;-1.79,2.48,;-1.79,4.02,;-2.88,3.57,;-3.97,2.48,;-2.88,1.39,;-5.51,2.48,;-6.28,1.14,;-7.82,1.14,;-8.59,2.48,;-7.82,3.81,;-6.28,3.81,;-5.51,5.14,;-10.13,2.48,;-10.9,1.14,;-10.9,3.81,;8.23,-.52,;9.56,-1.29,;10.9,-.52,;9.56,-2.83,;8.23,-3.6,;8.23,-5.14,;6.89,-2.83,;6.89,-1.29,;5.56,-.52,)|
OC1(CN(C1)c1ncccc1F)c1ccc(OCc2c(cnn2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |(-1.49,1.55,;-1.62,.06,;-2.99,.76,;-3.69,-.61,;-2.32,-1.31,;-5.16,-1.09,;-5.48,-2.59,;-6.94,-3.07,;-8.14,-2.06,;-7.77,-.53,;-6.3,-.06,;-5.98,1.45,;-.16,.54,;.16,2.04,;1.63,2.52,;2.77,1.49,;4.24,1.97,;5.38,.94,;6.85,1.41,;7.32,2.88,;8.86,2.88,;9.34,1.41,;8.09,.51,;8.09,-1.03,;9.43,-1.8,;10.76,-1.03,;9.43,-3.34,;8.09,-4.11,;8.09,-5.65,;6.76,-3.34,;6.76,-1.8,;5.42,-1.03,;6.42,4.12,;6.26,5.65,;5.01,4.75,;2.45,-.02,;.99,-.49,;.67,-2,)|
COc1ncccc1[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |r,wU:8.8,10.11,wD:10.14,(-2.58,-.15,;-3.96,.55,;-5.25,-.29,;-6.62,.41,;-7.91,-.42,;-7.83,-1.96,;-6.46,-2.66,;-5.17,-1.82,;-3.79,-2.52,;-2.33,-2.05,;-1.85,-3.51,;-1.38,-4.98,;-3.32,-3.99,;-.39,-3.04,;.76,-4.07,;2.22,-3.59,;2.54,-2.08,;4,-1.61,;4.33,-.1,;5.79,.37,;7.04,-.53,;8.28,.37,;7.81,1.84,;6.27,1.84,;5.36,3.09,;5.99,4.49,;7.52,4.65,;5.08,5.74,;3.55,5.58,;2.64,6.82,;2.92,4.17,;3.83,2.92,;3.2,1.52,;7.04,-2.07,;7.81,-3.4,;6.27,-3.4,;1.4,-1.05,;-.07,-1.53,;-1.21,-.5,)|
OC1(CN(C1)c1ncc(cc1F)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |(-1.52,3.09,;-1.65,1.6,;-3.03,2.3,;-3.72,.93,;-2.35,.23,;-5.19,.45,;-5.51,-1.05,;-6.97,-1.53,;-8.12,-.5,;-7.8,1.01,;-6.33,1.48,;-6.01,2.99,;-9.58,-.97,;-10.73,.06,;-9.9,-2.48,;-8.76,-3.51,;-9.08,-5.02,;-7.93,-6.05,;-6.79,-7.08,;-6.9,-4.9,;-8.97,-7.19,;-.19,2.08,;.13,3.58,;1.6,4.06,;2.74,3.03,;4.21,3.51,;5.35,2.47,;6.81,2.95,;7.29,4.42,;8.83,4.42,;9.31,2.95,;8.06,2.05,;8.06,.51,;9.39,-.26,;10.73,.51,;9.39,-1.8,;8.06,-2.57,;8.06,-4.11,;6.73,-1.8,;6.73,-.26,;5.39,.51,;6.38,5.66,;6.22,7.19,;4.98,6.29,;2.42,1.52,;.96,1.05,;.64,-.46,)|
OC(=O)CNC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(onc3-c3c(Cl)cc(F)cc3Cl)C3CC3)cc2Cl)c(F)c1 |(-10.54,-6.07,;-9.08,-5.59,;-7.93,-6.62,;-8.76,-4.08,;-9.9,-3.05,;-9.58,-1.55,;-10.73,-.52,;-8.12,-1.07,;-6.97,-2.1,;-5.51,-1.63,;-5.19,-.12,;-3.72,.36,;-3.03,1.73,;-1.65,1.03,;-1.52,2.52,;-2.35,-.34,;-.19,1.51,;.13,3.01,;1.6,3.49,;2.74,2.46,;4.21,2.93,;5.35,1.9,;6.81,2.38,;7.29,3.84,;8.83,3.84,;9.31,2.38,;8.06,1.47,;8.06,-.07,;9.39,-.84,;10.73,-.07,;9.39,-2.38,;8.06,-3.15,;8.06,-4.69,;6.73,-2.38,;6.73,-.84,;5.39,-.07,;6.38,5.09,;6.22,6.62,;4.98,5.72,;2.42,.95,;.96,.48,;.64,-1.03,;-6.33,.91,;-6.01,2.42,;-7.8,.44,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,THB:20:19:14.13:16,9:13:19.18:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.17,wD:18.22,14.16,THB:19:18:13.12:15,8:12:18.17:15,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)|
Cc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:16.20,12.14,wD:14.15,THB:17:16:11.10:13,7:10:16.15:13,(-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(C2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.21,21.26,wD:17.20,TLB:22:21:15.16:18,11:15:20.21:18,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.1,-3.64,;.56,-3.64,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;11.6,2.88,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
OC(=O)c1cc(c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(F)(F)F |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,8:12:18.17:15,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-1.33,2.31,;-2.67,3.08,;-.56,3.64,;-2.1,.98,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.27,19.21,wD:21.22,THB:24:23:18.17:20,13:17:23.22:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;.21,3.85,;-2.87,3.85,;-1.33,5.39,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(OCC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.28,20.22,wD:22.23,THB:25:24:19.18:21,14:18:24.23:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-4,5.39,;-1.9,5.95,;-3.44,3.29,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
CCOc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,9:12:18.17:15,(-2.67,4.62,;-1.33,3.85,;-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:19.23,15.17,wD:17.18,THB:9:13:19.18:16,20:19:14.13:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-1.99,-8.9,;-3.77,-10.45,;-2.97,-11.77,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |THB:9:13:19.18:16,20:19:14.13:16|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,THB:20:19:14.13:16,9:13:19.18:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
Cc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:16.20,12.14,wD:14.15,THB:17:16:11.10:13,7:10:16.15:13,(-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(C2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.21,21.26,wD:17.20,TLB:22:21:15.16:18,11:15:20.21:18,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.1,-3.64,;.56,-3.64,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;10.33,-.99,;11.67,-1.74,;13.07,-1.09,;14.12,-2.22,;13.37,-3.56,;11.86,-3.27,;10.73,-4.31,;9.26,-3.86,;8.91,-2.36,;8.13,-4.91,;8.47,-6.41,;9.94,-6.86,;11.07,-5.82,;12.54,-6.27,;13.37,.42,;12.87,1.88,;14.38,1.58,)|
OC(=O)c1cc(c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(F)(F)F |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,8:12:18.17:15,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-1.33,2.31,;-2.67,3.08,;-.56,3.64,;-2.1,.98,)|
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OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:20:19:14.13:16,9:13:19.18:16|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1 |THB:13:17:23.22:20,24:23:18.17:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1 |THB:9:13:19.18:16,20:19:14.13:16|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCOCC1)C1CC1 |THB:13:17:23.22:20,24:23:18.17:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:19.23,15.17,wD:17.18,THB:9:13:19.18:16,20:19:14.13:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-2.97,-11.77,;-3.43,-9.45,;-1.99,-8.9,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:23.27,19.21,wD:21.22,THB:13:17:23.22:20,24:23:18.17:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;.21,3.85,;-2.87,3.85,;-1.33,5.39,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-2.97,-11.77,;-3.43,-9.45,;-1.99,-8.9,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,)|
Fc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)-c1nn[nH]n1 |wU:16.20,12.14,wD:14.15,THB:17:16:11.10:13,7:10:16.15:13,(-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,)|
FC(F)(F)Oc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)-c1nn[nH]n1 |wU:20.24,16.18,wD:18.19,THB:21:20:15.14:17,11:14:20.19:17,(.21,3.85,;-1.33,3.85,;-2.87,3.85,;-1.33,5.39,;-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;4.16,3.84,;5.67,4.16,;6.44,2.83,;5.41,1.68,)|
CS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.27,19.21,wD:21.22,THB:24:23:18.17:20,13:17:23.22:20,(5.9,3.64,;6.67,2.31,;8,3.08,;7.44,.98,;5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:25.29,21.23,wD:23.24,THB:26:25:20.19:22,15:19:25.24:22,(0,7.7,;1.33,6.93,;1.33,5.39,;2.67,4.62,;3.44,5.95,;1.9,3.29,;4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
Fc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:14.15,16.20,wD:12.14,TLB:17:16:10.11:13,7:10:15.16:13,(4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;,1.54,;-1.14,2.57,;-.52,3.98,;1.01,3.82,;1.33,2.31,;-1.29,5.31,;-.26,6.27,;-1.86,6.03,;-2.87,3.34,;-2.69,4.88,;-3.83,6.17,;-2.94,7.11,;-2.96,8.65,;-4.31,9.4,;-4.33,10.94,;-3.1,11.86,;-3.6,13.32,;-5.14,13.3,;-5.59,11.82,;-7.05,11.33,;-8.21,12.34,;-7.91,13.85,;-9.66,11.84,;-9.96,10.33,;-8.8,9.32,;-7.35,9.82,;-6.19,8.8,;-1.63,11.41,;-.13,11.75,;-.58,10.28,;1.33,-2.31,;,-3.08,;2.67,-3.08,;2.67,-4.62,;4.21,-4.62,;1.13,-4.62,;2.67,-6.16,;3.44,-7.49,;1.9,-7.49,)|
CS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.22,wD:23.27,19.21,THB:24:23:18.17:20,13:17:23.22:20,(6.1,3.29,;5.33,4.62,;4.56,5.95,;6.67,5.39,;4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)|
CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.24,wD:25.29,21.23,THB:26:25:20.19:22,15:19:25.24:22,(8,7.7,;6.67,6.93,;6.67,5.39,;5.33,4.62,;6.1,3.29,;4.56,5.95,;4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)|
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CS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.22,15.16,wD:17.17,THB:20:19:14.13:16,10:13:19.18:16,(5.62,-11.89,;7.07,-11.39,;8.53,-10.89,;7.57,-12.84,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
CCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(11.15,-11.4,;9.69,-11.9,;8.53,-10.89,;7.07,-11.39,;7.57,-12.84,;5.62,-11.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
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CS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:17.19,13.13,wD:15.14,THB:18:17:12.11:14,10:11:17.16:14,(5.62,-11.89,;7.07,-11.39,;8.53,-10.89,;7.57,-12.84,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:20:19:14.13:16,12:13:19.18:16,(11.15,-11.4,;9.69,-11.9,;8.53,-10.89,;7.07,-11.39,;7.57,-12.84,;5.62,-11.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1C(=O)O[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1nn[nH]n1 |wU:19.21,23.25,wD:21.24,TLB:18:19:24.25:22,26:25:19.20:22,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-1.99,-3.57,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.53,-10.09,;6.56,-11.63,;5.1,-12.13,;4.18,-10.9,)|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)-c1nn[nH]n1 |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;6.53,-10.09,;6.56,-11.63,;5.1,-12.13,;4.18,-10.9,)|
OC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:14:13:8.7:10,6:7:13.12:10,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Fc1cc(cc(F)c1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C#N |wU:14.17,10.11,wD:12.12,THB:15:14:9.8:11,7:8:14.13:11,(1.04,-6.13,;2.55,-6.42,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.11,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.92,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;5.56,-11.09,)|
OC(=O)c1ccc(nc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.79,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.42,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.11,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.92,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1ccc(nc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.79,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.42,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.11,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.92,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:15.18,11.12,wD:13.13,THB:6:9:15.14:12,16:15:10.9:12,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(noc2C2(F)CC2)-c2c(Cl)cccc2Cl)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:6:7:13.12:10,14:13:8.7:10,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.22,15.16,wD:17.17,THB:20:19:14.13:16,10:13:19.18:16,(6.01,-11.75,;4.55,-12.25,;5.05,-13.71,;3.09,-12.75,;4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
CCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |wU:20.23,18.20,wD:22.24,THB:17:18:24.23:21,25:24:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,3.4,;-7.88,4.55,)|
CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:20:19:14.13:16,12:13:19.18:16,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:11.11,13.16,wD:9.10,TLB:14:13:7.8:10,6:7:12.13:10,(-1.99,-3.57,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-5.43,-.48,;-3.92,-.8,;-5.75,-1.99,;-6.94,-.16,;-8.4,-.64,;-8.08,.86,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@@H](OC(=O)c3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@H]1C2 |wU:37.43,wD:17.19,15.44,TLB:18:17:14.13:38,9:13:17.16:38,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-.79,-6.16,;.59,-5.87,;2.12,-6,;2.77,-7.4,;1.89,-8.66,;4.3,-7.53,;5.32,-6.37,;6.73,-6.97,;6.6,-8.51,;5.1,-8.85,;4.49,-10.27,;2.97,-10.46,;2.04,-9.23,;2.36,-11.87,;3.29,-13.1,;4.82,-12.92,;5.42,-11.5,;6.95,-11.31,;4.97,-4.87,;3.92,-3.74,;5.42,-3.4,;-.91,-5.25,;-3.16,-7.04,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H](OC(=O)c3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@H]1C2 |wU:17.19,37.43,wD:15.44,TLB:18:17:14.13:38,9:13:17.16:38,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-.79,-6.16,;.59,-5.87,;2.12,-6,;2.77,-7.4,;1.89,-8.66,;4.3,-7.53,;5.32,-6.37,;6.73,-6.97,;6.6,-8.51,;5.1,-8.85,;4.49,-10.27,;2.97,-10.46,;2.04,-9.23,;2.36,-11.87,;3.29,-13.1,;4.82,-12.92,;5.42,-11.5,;6.95,-11.31,;4.97,-4.87,;3.92,-3.74,;5.42,-3.4,;-.91,-5.25,;-3.16,-7.04,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@H]1C2 |wU:36.42,wD:17.19,15.43,TLB:18:17:14.13:37,9:13:17.16:37,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-.79,-6.16,;.59,-5.87,;2.12,-6,;2.77,-7.4,;4.3,-7.53,;5.32,-6.37,;6.73,-6.97,;6.6,-8.51,;5.1,-8.85,;4.49,-10.27,;2.97,-10.46,;2.04,-9.23,;2.36,-11.87,;3.29,-13.1,;4.82,-12.92,;5.42,-11.5,;6.95,-11.31,;4.97,-4.87,;3.92,-3.74,;5.42,-3.4,;-.91,-5.25,;-3.16,-7.04,)|
OC(=O)c1ccc(cc1C#N)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.15,17.20,wD:13.14,TLB:18:17:11.12:14,6:11:16.17:14,(-3.33,3.01,;-3.65,1.5,;-5.11,1.02,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.29,-1.51,;-5.75,-1.99,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C#N |wU:11.10,13.15,wD:9.9,TLB:14:13:7.8:10,6:7:12.13:10,(-5.11,1.02,;-3.65,1.5,;-3.33,3.01,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-1.68,-2.06,;-2.82,-1.03,;-1.99,-3.57,;-2.31,-5.08,)|
OC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.19,12.13,wD:14.14,THB:17:16:11.10:13,6:10:16.15:13,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1c(F)cc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,7:11:17.16:14,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.04,-9.04,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1cc(F)c(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,7:11:17.16:14,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;1.04,-6.13,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C(F)(F)F |wU:13.15,9.9,wD:11.10,THB:14:13:8.7:10,6:7:13.12:10,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;5.57,-7.02,;6.09,-4.4,;7.1,-3.24,;7.25,-5.41,;4.93,-3.39,)|
Cc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C1CC1 |wU:11.10,13.15,wD:9.9,TLB:14:13:7.8:10,6:7:12.13:10,(-5.11,1.02,;-3.65,1.5,;-3.33,3.01,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-1.68,-2.06,;-2.82,-1.03,;-1.99,-3.57,;-1.52,-5.03,;-3.02,-4.71,)|
CCc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:14.17,10.11,wD:12.12,THB:15:14:9.8:11,7:8:14.13:11,(7.6,-4.7,;6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1F |wU:13.15,9.9,wD:11.10,THB:14:13:8.7:10,6:7:13.12:10,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,;7.09,-7.31,)|
Cc1cc(ccc1C(O)=O)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.19,12.13,wD:14.14,THB:17:16:11.10:13,3:10:16.15:13,(7.09,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
COc1cc(ccc1C(O)=O)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,4:11:17.16:14,(7.58,-8.77,;7.09,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1F)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1 |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,)|
Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1F)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
OC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:6:9:15.14:12,16:15:10.9:12,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-4.04,-4.01,;-2.51,-3.84,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(F)cccc2Cl)C2CC2)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:6:7:13.12:10,14:13:8.7:10,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-4.04,-4.01,;-2.51,-3.84,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:16:15:10.9:12,6:9:15.14:12|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)c(F)c1 |THB:14:13:8.7:10,6:7:13.12:10|
OC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:16.19,12.13,wD:14.14,THB:6:10:16.15:13,17:16:11.10:13,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,)|
OC(=O)c1ccc(cc1C#N)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:15.15,17.20,wD:13.14,TLB:18:17:11.12:14,6:11:16.17:14,(-3.33,3.01,;-3.65,1.5,;-5.11,1.02,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.29,-1.51,;-5.75,-1.99,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;2.91,-9.82,;1.69,-7.8,;2.86,-6.79,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,)|
Cc1cccc(Cl)c1-c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1)C1(F)CC1 |wU:15.16,19.20,wD:17.19,TLB:22:21:15.16:18,14:15:20.21:18,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,)|
OC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)C1CCC2(CC2)CC1 |THB:16:15:10.9:12,6:9:15.14:12|
OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2C2CCC3(CC3)CC2)C2CC2)c(F)c1 |THB:14:13:8.7:10,6:7:13.12:10|
OC(=O)c1ccc(cc1)[N+]1([O-])C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:14.14,16.19,wD:12.13,TLB:17:16:9.11:13,10:9:15.16:13,6:9:15.16:13,(-5.76,-.38,;-5.17,-1.8,;-6.11,-3.02,;-3.65,-2,;-2.71,-.78,;-1.18,-.99,;-.59,-2.41,;-1.53,-3.63,;-3.06,-3.43,;.93,-2.61,;.57,-1.12,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
OC(=O)c1ccc(cn1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:14:13:8.7:10,6:7:13.12:10,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(noc2C2(F)CC2)-c2c(Cl)cccc2Cl)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:6:7:13.12:10,14:13:8.7:10,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-1.86,2.72,;.19,1.54,;-.34,.09,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)c1ccc(N2C[C@H]3C[C@@H]2C[C@@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:11.10,wD:13.15,9.9,THB:14:13:8.7:10,6:7:13.12:10,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)c1ccc(cc1)N1C[C@H]2C[C@@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:13.13,wD:15.18,11.12,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
Fc1cc(cc(F)c1C#N)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.19,12.13,wD:14.14,THB:17:16:11.10:13,3:10:16.15:13,(2.04,-9.04,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;4.56,-8.18,;5.06,-9.63,;5.56,-11.09,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl)-c1nn[nH]n1 |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;5.06,-9.63,;6.53,-10.09,;6.56,-11.63,;5.1,-12.13,;4.18,-10.9,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2C(=O)NCc2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(10.53,-7.71,;10.08,-6.24,;11.13,-5.11,;10.67,-3.64,;9.17,-3.3,;8.12,-4.43,;6.62,-4.08,;8.58,-5.9,;7.53,-7.03,;7.83,-8.54,;6.48,-9.29,;5.35,-8.24,;3.84,-8.54,;2.68,-9.55,;2.38,-8.04,;6,-6.84,;5.25,-5.5,;3.71,-5.48,;2.96,-4.13,;4,-3.19,;2.4,-3.41,;1.35,-6.08,;1.56,-4.54,;.43,-3.24,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;2.04,4.96,;-.52,3.98,;-1.14,2.57,;,1.54,;)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2C(=O)NCCc2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(11.87,-10.02,;11.41,-8.55,;12.46,-7.42,;12,-5.95,;10.5,-5.61,;9.46,-6.74,;7.95,-6.39,;9.91,-8.21,;8.86,-9.34,;9.16,-10.85,;7.82,-11.6,;6.69,-10.55,;5.18,-10.85,;4.02,-11.86,;3.72,-10.35,;7.33,-9.15,;6.58,-7.81,;5.04,-7.79,;4.29,-6.44,;5.34,-5.5,;3.73,-5.72,;2.68,-8.39,;2.89,-6.85,;1.77,-5.55,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;4,2.31,;1.33,2.31,;,1.54,;;1.33,-.77,;1.33,-2.31,)|
OC(=O)[C@@H]1CCc2cc(ccc2C1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,3.2,wD:17.18,THB:20:19:14.13:16,8:13:19.18:16,(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;2.67,-4.62,;1.77,-5.55,;2.89,-6.85,;2.68,-8.39,;3.73,-5.72,;5.34,-5.5,;4.29,-6.44,;5.04,-7.79,;6.58,-7.81,;7.33,-9.15,;6.69,-10.55,;7.82,-11.6,;9.16,-10.85,;8.86,-9.34,;9.91,-8.21,;11.41,-8.55,;11.87,-10.02,;12.46,-7.42,;12,-5.95,;10.5,-5.61,;9.46,-6.74,;7.95,-6.39,;5.18,-10.85,;4.02,-11.86,;3.72,-10.35,)|
OC(=O)[C@H]1CCc2cc(ccc2C1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,3.2,THB:20:19:14.13:16,8:13:19.18:16,(2.67,4.62,;1.33,3.85,;,4.62,;1.33,2.31,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;2.67,1.54,;2.67,-4.62,;1.77,-5.55,;2.89,-6.85,;2.68,-8.39,;3.73,-5.72,;5.34,-5.5,;4.29,-6.44,;5.04,-7.79,;6.58,-7.81,;7.33,-9.15,;6.69,-10.55,;7.82,-11.6,;9.16,-10.85,;8.86,-9.34,;9.91,-8.21,;11.41,-8.55,;11.87,-10.02,;12.46,-7.42,;12,-5.95,;10.5,-5.61,;9.46,-6.74,;7.95,-6.39,;5.18,-10.85,;4.02,-11.86,;3.72,-10.35,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2oc(=O)[nH]c2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(10.53,-7.71,;10.08,-6.24,;11.13,-5.11,;10.67,-3.64,;9.17,-3.3,;8.12,-4.43,;6.62,-4.08,;8.58,-5.9,;7.53,-7.03,;7.83,-8.54,;6.48,-9.29,;5.35,-8.24,;3.84,-8.54,;2.68,-9.55,;2.38,-8.04,;6,-6.84,;5.25,-5.5,;3.71,-5.48,;2.96,-4.13,;4,-3.19,;2.4,-3.41,;1.35,-6.08,;1.56,-4.54,;.43,-3.24,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.65,3.82,;3.19,3.98,;3.96,5.31,;3.81,2.57,;2.67,1.54,;2.67,,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2C(=O)OCc2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(10.53,-7.71,;10.08,-6.24,;11.13,-5.11,;10.67,-3.64,;9.17,-3.3,;8.12,-4.43,;6.62,-4.08,;8.58,-5.9,;7.53,-7.03,;7.83,-8.54,;6.48,-9.29,;5.35,-8.24,;3.84,-8.54,;2.68,-9.55,;2.38,-8.04,;6,-6.84,;5.25,-5.5,;3.71,-5.48,;2.96,-4.13,;4,-3.19,;2.4,-3.41,;1.35,-6.08,;1.56,-4.54,;.43,-3.24,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;2.04,4.96,;-.52,3.98,;-1.14,2.57,;,1.54,;)|
FC(F)(F)C(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.21,14.15,wD:16.16,THB:19:18:13.12:15,9:12:18.17:15,(8.08,-10.23,;6.57,-9.93,;6.28,-11.44,;6.87,-8.42,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
CN(CC(O)=O)S(=O)(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.19,21.24,wD:17.18,TLB:22:21:15.16:18,12:15:20.21:18,(-3.1,4.11,;-2.62,2.65,;-1.11,2.33,;-.09,3.48,;-.56,4.94,;1.42,3.16,;-3.65,1.5,;-4.68,.36,;-4.8,2.53,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.52,-8.33,;4.55,-9.87,;3.09,-10.37,;2.17,-9.14,;.63,-9.17,;-.17,-7.85,;.58,-6.5,;-1.71,-7.87,;-2.45,-9.22,;-1.66,-10.54,;-.12,-10.51,;.67,-11.84,;5.75,-7.41,;6.36,-5.99,;7.28,-7.22,)|
OS(=O)(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.19,12.13,wD:14.14,THB:17:16:11.10:13,7:10:16.15:13,(6.52,-9.14,;5.06,-9.63,;5.56,-11.09,;3.6,-10.13,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1cnc(nc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)Cc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.19,12.13,wD:14.14,THB:17:16:11.10:13,7:10:16.15:13,(2.54,-10.5,;4.05,-10.8,;4.55,-12.25,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)CCc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,8:11:17.16:14,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)CCCc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.21,14.15,wD:16.16,THB:19:18:13.12:15,9:12:18.17:15,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
OC(=O)C1(CC1)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,9:12:18.17:15,(7.55,-10.59,;6.58,-9.4,;7.14,-7.96,;5.06,-9.63,;5.03,-11.17,;3.71,-10.38,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)C1(CCC1)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,THB:20:19:14.13:16,10:13:19.18:16,(6.81,-7.62,;6.52,-9.14,;7.68,-10.15,;5.06,-9.63,;5.56,-11.09,;4.1,-11.59,;3.6,-10.13,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)C1CC(C1)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,THB:20:19:14.13:16,10:13:19.18:16,(5.26,-14.31,;6.27,-13.15,;7.78,-13.45,;5.77,-11.69,;6.44,-10.31,;5.06,-9.63,;4.38,-11.02,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
CC(CC(O)=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:16.18,12.12,wD:14.13,THB:17:16:11.10:13,9:10:16.15:13,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;7.07,-11.39,;6.06,-12.55,;8.58,-11.68,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)Cc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:14.16,10.10,wD:12.11,THB:15:14:9.8:11,7:8:14.13:11,(2.54,-10.5,;4.05,-10.8,;4.55,-12.25,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:15.17,11.11,wD:13.12,THB:16:15:10.9:12,8:9:15.14:12,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)CCc1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.21,14.15,wD:16.16,THB:19:18:13.12:15,8:12:18.17:15,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
CC(C)(Cc1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,7:11:17.16:14,(2.89,-9.78,;4.05,-10.8,;5.21,-11.81,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.04,-11.96,;1.53,-11.66,;3.54,-13.41,)|
OC(=O)CCCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:16.18,12.12,wD:14.13,THB:17:16:11.10:13,9:10:16.15:13,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C#N |wU:13.12,15.17,wD:11.11,TLB:8:9:14.15:12,16:15:9.10:12,(-1.55,4.99,;-1.87,3.49,;-.72,2.46,;-3.33,3.01,;-3.65,1.5,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.52,-8.34,;4.55,-9.88,;3.09,-10.37,;2.17,-9.14,;.63,-9.17,;-.17,-7.85,;.58,-6.5,;-1.71,-7.87,;-2.45,-9.22,;-1.66,-10.54,;-.12,-10.51,;.67,-11.84,;5.75,-7.41,;6.36,-5.99,;7.28,-7.22,;-1.68,-2.06,;-2.82,-1.03,;-1.99,-3.57,;-2.31,-5.08,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(O)=O)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.07,-11.39,;6.06,-12.55,;8.58,-11.68,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
OC(=O)C1CN(Cc2ccc(cc2)N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)C1 |wU:19.22,15.16,wD:17.17,THB:20:19:14.13:16,10:13:19.18:16,(.1,-13.3,;1.61,-13.6,;2.11,-15.05,;2.62,-12.44,;4.16,-12.33,;4.05,-10.79,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.42,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.51,-10.9,)|
ON(Cc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C=O |wU:15.18,11.12,wD:13.13,THB:16:15:10.9:12,6:9:15.14:12,(7.58,-8.77,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;7.07,-11.39,;8.58,-11.68,)|
Fc1cc(CCc2nn[nH]n2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl |wU:20.24,16.18,wD:18.19,THB:21:20:15.14:17,13:14:20.19:17,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;5.06,-9.63,;6.57,-9.93,;7.07,-11.39,;8.54,-11.84,;8.57,-13.38,;7.11,-13.88,;6.19,-12.65,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,)|
OCCN(CCO)CCOC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:24.26,20.20,wD:22.21,THB:25:24:19.18:21,17:18:24.23:21,(14.62,-16.94,;13.11,-16.64,;12.61,-15.19,;11.09,-14.89,;10.08,-16.05,;10.58,-17.51,;12.09,-17.81,;10.59,-13.44,;9.08,-13.14,;8.58,-11.68,;7.07,-11.39,;6.06,-12.55,;6.57,-9.93,;5.06,-9.64,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NCc1nn[nH]n1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.57,-9.93,;4.05,-10.8,;4.55,-12.25,;6.06,-12.55,;7.19,-11.5,;8.53,-12.25,;8.24,-13.76,;6.71,-13.94,)|
OC(=O)CNC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.22,15.16,wD:17.17,THB:20:19:14.13:16,10:13:19.18:16,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
OS(=O)(=O)CCNC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
OC(=O)CNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:20.23,16.17,wD:18.18,THB:21:20:15.14:17,10:14:20.19:17,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
OS(=O)(=O)CCNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.25,18.19,wD:20.20,THB:23:22:17.16:19,12:16:22.21:19,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
CS(=O)(=O)CCNC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
CS(=O)(=O)CCNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.25,18.19,wD:20.20,THB:23:22:17.16:19,12:16:22.21:19,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Fc1cc(ccc1C(=O)NCCS(=O)(=O)C1CC1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.23,24.28,wD:20.22,TLB:25:24:18.19:21,3:18:23.24:21,(-.72,2.46,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.72,1.58,;-8.87,2.6,;-9.9,1.46,;-7.84,3.75,;-10.02,3.63,;-11.52,3.95,;-10.49,5.1,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
Fc1cc(ccc1C(=O)NCCS(=O)(=O)C1CCOCC1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:27.31,23.25,wD:25.26,THB:28:27:22.21:24,3:21:27.26:24,(7.09,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;10.11,-7.9,;11.27,-8.92,;8.95,-6.89,;11.12,-6.74,;10.62,-5.29,;11.63,-4.13,;13.14,-4.42,;13.64,-5.88,;12.63,-7.04,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Cc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NCCP(O)(O)=O |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.06,-9.64,;6.57,-9.93,;4.05,-10.8,;2.54,-10.5,;2.04,-9.04,;.53,-8.75,;.82,-7.24,;.23,-10.26,;-.98,-8.45,)|
Cc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C |wU:11.11,13.16,wD:9.10,TLB:14:13:7.8:10,6:7:12.13:10,(-1.99,-3.57,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-3.65,1.5,;-5.11,1.02,;-3.33,3.01,;-4.48,4.04,;-4.16,5.54,;-5.31,6.57,;-6.33,5.43,;-4.28,7.72,;-2.77,7.4,;-1.74,8.55,;-.23,8.23,;.24,6.77,;.79,9.38,;1.82,10.52,;1.94,8.35,;-.35,10.4,;-6.45,7.6,;-7.92,7.12,;-8.23,5.62,;-9.7,5.14,;-10.02,3.63,;-10.84,6.17,;-11.87,5.02,;-9.81,7.31,;-11.99,7.2,)|
OP(O)(=O)CCc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.21,14.15,wD:16.16,THB:19:18:13.12:15,9:12:18.17:15,(5.05,-13.71,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;4.05,-10.8,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OP(O)(=O)Cc1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,8:11:17.16:14,(8.08,-10.23,;6.57,-9.93,;6.28,-11.44,;6.87,-8.42,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
COC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,7:11:17.16:14,(4.55,-12.25,;4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1nnc(s1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:14.17,10.11,wD:12.12,THB:15:14:9.8:11,6:8:14.13:11,(1.65,-9.57,;3.15,-9.23,;4.2,-10.36,;3.6,-7.76,;5.06,-7.26,;5.04,-5.72,;3.56,-5.26,;2.68,-6.52,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
OC(=O)c1cc(no1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:14.17,10.11,wD:12.12,THB:15:14:9.8:11,5:8:14.13:11,(1.65,-9.57,;3.15,-9.23,;4.2,-10.36,;3.6,-7.76,;2.68,-6.52,;3.56,-5.26,;5.04,-5.72,;5.06,-7.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
Cn1nc(cc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:12.15,8.9,wD:10.10,THB:13:12:7.6:9,5:6:12.11:9,(1.14,-6.55,;2.68,-6.52,;3.6,-7.76,;5.06,-7.26,;5.04,-5.72,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;6.32,-8.14,;6.18,-9.68,;7.72,-7.49,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCCCC1 |wU:20.23,18.20,wD:22.24,THB:17:18:24.23:21,25:24:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.87,2.6,;-10.02,3.63,;-9.7,5.14,;-8.23,5.62,;-7.09,4.59,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccccc1C(=O)NS(=O)(=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.05,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;7.6,-4.7,;5.59,-2.94,;6.6,-1.78,;7.76,-2.79,;5.44,-.77,;7.61,-.62,;7.11,.84,;8.12,2,;9.63,1.7,;10.13,.24,;9.12,-.92,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCC1 |wU:20.23,18.20,wD:22.24,THB:17:18:24.23:21,25:24:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.94,3,;-9.03,4.54,;-7.49,4.62,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1COC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.96,-13.52,;8.28,-14.9,;6.9,-14.23,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;6.69,-14.1,;7.61,-15.33,;9.07,-14.84,;9.04,-13.3,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)CC1CCOC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.57,-9.93,;4.05,-10.8,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;5.05,-13.71,;6.56,-14,;7.21,-15.4,;8.74,-15.22,;9.03,-13.7,;7.69,-12.96,)|
CN1CCC(CC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:25.29,21.23,wD:23.24,THB:26:25:20.19:22,16:19:25.24:22,(9.07,-17.21,;8.57,-15.76,;9.58,-14.6,;9.08,-13.14,;7.57,-12.84,;6.56,-14,;7.06,-15.46,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.79,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.42,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)c1cn[nH]c1 |wU:20.23,18.20,wD:22.24,THB:17:18:24.23:21,25:24:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-7.25,4.61,;-8.65,5.24,;-9.68,4.09,;-8.91,2.76,)|
CC(C)CCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:21.23,17.17,wD:19.18,THB:22:21:16.15:18,14:15:21.20:18,(11.09,-14.89,;9.58,-14.6,;8.57,-15.76,;9.08,-13.14,;7.57,-12.84,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:21.23,17.17,wD:19.18,THB:22:21:16.15:18,14:15:21.20:18,(4.02,-18.94,;3.53,-17.49,;4.54,-16.33,;4.04,-14.87,;5.05,-13.71,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CCCCCCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:24.26,20.20,wD:22.21,THB:25:24:19.18:21,17:18:24.23:21,(11.98,-.21,;11.68,-1.73,;10.22,-2.23,;9.93,-3.74,;8.47,-4.24,;8.18,-5.75,;6.72,-6.25,;6.42,-7.76,;7.58,-8.77,;8.6,-7.61,;8.75,-9.78,;6.57,-9.93,;5.06,-9.64,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CCOCCOCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:24.26,20.20,wD:22.21,THB:25:24:19.18:21,17:18:24.23:21,(11.98,-.21,;11.68,-1.73,;10.22,-2.23,;9.93,-3.74,;8.47,-4.24,;8.18,-5.75,;6.72,-6.25,;6.42,-7.76,;7.58,-8.77,;8.6,-7.61,;8.75,-9.78,;6.57,-9.93,;5.06,-9.64,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
CCCS(=O)(=O)NC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.25,18.19,wD:20.20,THB:23:22:17.16:19,12:16:22.21:19,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Fc1cc(ccc1C(=O)NS(=O)(=O)C1CC1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.26,18.20,wD:20.21,THB:23:22:17.16:19,3:16:22.21:19,(7.09,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)|
FC1(CC1)c1onc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1)-c1c(Cl)cccc1Cl |wU:13.15,11.12,wD:15.16,THB:10:11:17.16:14,18:17:12.11:14,(2.91,-9.82,;3.15,-8.3,;1.69,-7.8,;2.86,-6.79,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,3.4,;-7.88,4.55,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,)|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl)C(=O)NS(=O)(=O)C1CC1 |wU:11.11,13.16,wD:9.10,TLB:14:13:7.8:10,6:7:12.13:10,(-1.99,-3.57,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;2.91,-9.82,;1.69,-7.8,;2.86,-6.79,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-5.43,-.48,;-6.94,-.16,;-3.92,-.8,;-5.75,-1.99,;-5.27,-3.45,;-6.78,-3.14,)|
CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(noc2C2(F)CC2)-c2c(Cl)cccc2Cl)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:12:13:19.18:16,20:19:14.13:16,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-1.89,-1.64,;-4.24,-1.89,;-4.66,-.41,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl)C(=O)NS(=O)(=O)C1CC1 |wU:13.16,9.10,wD:11.11,THB:6:7:13.12:10,14:13:8.7:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.34,.09,;-.34,2.45,;-1.86,2.72,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.86,;7.28,-14.36,)|
CCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)c(F)c1 |THB:20:19:14.13:16,12:13:19.18:16|
CCCCS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)c(F)c1 |TLB:21:20:14.15:17,13:14:19.20:17|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1)C(=O)NS(=O)(=O)C1CC1 |THB:14:13:8.7:10,6:7:13.12:10|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14.01,)|
CCCS(=O)(=O)NC(=O)c1ccc(nc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cn1)C(=O)NS(=O)(=O)C1CC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,)|
CCCS(=O)(=O)NC(=O)c1cnc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:20:19:14.13:16,12:13:19.18:16,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;2.55,-6.43,;1.04,-6.13,;3.05,-7.88,)|
Fc1cc(cnc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(1.04,-6.13,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.86,;7.28,-14.35,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
FC1(CC1)c1onc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cn1)C(=O)NS(=O)(=O)C1CC1)-c1c(Cl)cccc1Cl |wU:13.15,11.12,wD:15.16,THB:10:11:17.16:14,18:17:12.11:14,(2.91,-9.82,;3.15,-8.3,;1.69,-7.8,;2.86,-6.79,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-1.04,.95,;.11,-.08,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,3.4,;-7.88,4.55,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,)|
OCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.24,17.18,wD:19.19,THB:22:21:16.15:18,12:15:21.20:18,(.49,-14.02,;.79,-12.51,;2.24,-12.01,;2.54,-10.5,;1.03,-10.2,;2.83,-8.99,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
CC(=O)OCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.22,24.27,wD:20.21,TLB:25:24:18.19:21,15:18:23.24:21,(-12.63,4.18,;-11.48,3.15,;-11.8,1.65,;-10.02,3.63,;-8.87,2.6,;-7.41,3.08,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-5.11,1.02,;-3.65,1.5,;-3.33,3.01,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)CCOC(=O)C1CC1 |wU:20.23,18.20,wD:22.24,THB:25:24:19.18:21,17:18:24.23:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.87,2.6,;-10.02,3.63,;-11.48,3.15,;-11.8,1.65,;-12.63,4.18,;-14.13,4.5,;-13.1,5.65,)|
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CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.23,25.28,wD:21.22,TLB:16:19:24.25:22,26:25:19.20:22,(-14.09,3.71,;-12.63,4.18,;-12.31,5.69,;-11.48,3.15,;-10.02,3.63,;-8.87,2.6,;-7.41,3.08,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-5.11,1.02,;-3.65,1.5,;-3.33,3.01,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
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O=C(NS(=O)(=O)C1CC1)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)C1CCC2(CC2)CC1 |THB:22:21:16.15:18,12:15:21.20:18|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1)C(=O)NS(=O)(=O)C1CC1 |THB:14:13:8.7:10,6:7:13.12:10|
Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1)C(=O)NS(=O)(=O)C1CCOCC1 |THB:14:13:8.7:10,6:7:13.12:10|
Fc1cc(ccc1N1C[C@H]2C[C@@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:11.11,wD:13.16,9.10,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.86,;7.28,-14.35,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@H]1C[C@H]2C[C@@H]1CN2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |wU:20.23,wD:18.20,22.24,TLB:17:18:23.24:21,25:24:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,)|
Cn1nc(cc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:10.10,12.15,wD:8.9,TLB:13:12:6.7:9,5:6:11.12:9,(1.28,.72,;-.05,-.05,;-1.46,.57,;-2.49,-.57,;-1.72,-1.91,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-4.02,-.41,;-4.92,-1.66,;-4.65,.99,;-6.18,1.15,;-6.34,-.38,;-6.02,2.68,;-7.71,1.31,;-9.12,.68,;-8.96,2.21,)|
[O-][N+]1(C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |wU:5.4,7.9,wD:3.3,TLB:8:7:1.2:4,0:1:6.7:4,26:1:6.7:4,(.57,-1.12,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;-.59,-2.41,;-1.18,-.99,;-2.71,-.78,;-3.65,-2,;-3.06,-3.43,;-1.53,-3.63,;-5.17,-1.8,;-5.76,-.38,;-6.11,-3.02,;-7.64,-2.82,;-7.84,-4.34,;-7.43,-1.29,;-9.16,-2.61,;-10.59,-3.2,;-10.38,-1.67,)|
Fc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CCOCC2)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-.89,5.56,;.45,4.8,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;9.26,-7.16,;6.94,-5.14,;9.11,-4.99,;8.61,-3.53,;9.62,-2.37,;11.13,-2.67,;11.63,-4.13,;10.62,-5.29,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
CS(=O)(=O)NC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:20:19:14.13:16,12:13:19.18:16,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;1.53,-11.66,;4.05,-10.8,;5.06,-9.64,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Fc1cc(CCC(=O)NS(=O)(=O)C2CC2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.28,20.22,wD:22.23,THB:25:24:19.18:21,17:18:24.23:21,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;6.94,-5.14,;9.11,-4.99,;9.26,-7.16,;10.77,-7.46,;9.76,-8.62,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Fc1cc(CCC(=O)NS(=O)(=O)C2CCOCC2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:27.31,23.25,wD:25.26,THB:28:27:22.21:24,20:21:27.26:24,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;9.26,-7.16,;6.94,-5.14,;9.11,-4.99,;8.61,-3.53,;9.62,-2.37,;11.13,-2.67,;11.63,-4.13,;10.62,-5.29,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
CS(=O)(=O)NC(=O)CCc1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(onc2-c2c(F)cccc2Cl)C2CC2)c(F)c1 |wU:19.21,15.15,wD:17.16,THB:12:13:19.18:16,20:19:14.13:16,(.82,-7.24,;.53,-8.75,;.23,-10.26,;-.98,-8.45,;2.04,-9.04,;2.54,-10.5,;1.53,-11.66,;4.05,-10.8,;5.06,-9.64,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;.45,4.8,;-.89,5.56,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Fc1cc(CCC(=O)NS(=O)(=O)C2CC2)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:24.28,20.22,wD:22.23,THB:17:18:24.23:21,25:24:19.18:21,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;6.94,-5.14,;9.11,-4.99,;9.26,-7.16,;10.77,-7.46,;9.76,-8.62,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;.45,4.8,;-.89,5.56,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(C)(=O)=O)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-.89,5.56,;.45,4.8,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;2.54,-10.5,;1.53,-11.66,;2.04,-9.04,;.53,-8.75,;.82,-7.24,;.23,-10.26,;-.98,-8.45,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CC2)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-.89,5.56,;.45,4.8,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;6.94,-5.14,;9.11,-4.99,;9.26,-7.16,;10.77,-7.46,;9.76,-8.62,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CCOCC2)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-.89,5.56,;.45,4.8,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;9.26,-7.16,;6.94,-5.14,;9.11,-4.99,;8.61,-3.53,;9.62,-2.37,;11.13,-2.67,;11.63,-4.13,;10.62,-5.29,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
OC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:12.13,31.35,wD:10.36,TLB:13:12:33.9:32,6:9:12.11:32,THB:34:33:12.11:32,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
OC(=O)c1ccc(cc1)N1[C@@H]2C[C@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:31.35,wD:12.13,10.36,TLB:13:12:33.9:32,6:9:12.11:32,THB:34:33:12.11:32,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
CCc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:17.21,13.15,wD:15.16,THB:18:17:12.11:14,8:11:17.16:14,(-1.33,3.85,;-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
CC(C)c1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,9:12:18.17:15,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
CC(C)(C)c1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:17.18,19.23,wD:15.17,TLB:20:19:13.14:16,10:13:18.19:16,(1.33,-3.85,;1.33,-2.31,;2.87,-2.31,;-.21,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;4.13,2.02,;5.04,.77,;4.13,-.48,;2.67,,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;10.33,-.99,;11.67,-1.74,;13.07,-1.09,;14.12,-2.22,;13.37,-3.56,;11.86,-3.27,;10.73,-4.31,;9.26,-3.86,;8.91,-2.36,;8.13,-4.91,;8.47,-6.41,;9.94,-6.86,;11.07,-5.82,;12.54,-6.27,;13.37,.42,;12.87,1.88,;14.38,1.58,;-1.33,2.31,;-1.33,3.85,;-2.67,1.54,)|
OC(=O)c1cc(C2CCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:20.22,22.27,wD:18.21,TLB:23:22:16.17:19,12:16:21.22:19,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.42,-3.4,;1.33,-4.49,;.24,-3.4,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
OC(=O)c1cc(C2CCCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:21.23,23.28,wD:19.22,TLB:24:23:17.18:20,13:17:22.23:20,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
OC(=O)c1cc(C2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.28,19.22,wD:21.23,THB:24:23:18.17:20,13:17:23.22:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
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OC(=O)c1cc([C@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.28,19.22,wD:21.23,6.5,THB:24:23:18.17:20,13:17:23.22:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(C2CCOCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.29,20.23,wD:22.24,THB:25:24:19.18:21,14:18:24.23:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-1.33,3.85,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(C2CC3CC[C@H](C2)O3)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:26.32,22.26,wD:24.27,11.13,THB:27:26:21.20:23,16:20:26.25:23,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-1.78,3.18,;-2.43,2.02,;-4,2.31,;-2.67,1.54,;-4,3.85,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(C2CC3(C2)CCOCC3)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:27.33,23.27,wD:25.28,THB:28:27:22.21:24,17:21:27.26:24,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-2.87,2.31,;-3.35,3.77,;-1.81,3.77,;-3.19,5.31,;-4.43,6.21,;-5.84,5.58,;-6,4.05,;-4.76,3.15,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(C2CCCOCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:25.30,21.24,wD:23.25,THB:26:25:20.19:22,15:19:25.24:22,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.22,3.85,;-2.35,4.89,;-3.87,4.66,;-4.64,3.33,;-4.08,1.9,;-2.61,1.44,;,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(OC2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:20.22,22.27,wD:18.21,TLB:23:22:16.17:19,12:16:21.22:19,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;,-3.08,;-.77,-4.41,;-1.54,-3.08,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
OC(=O)c1cc(O[C@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.29,20.23,wD:22.24,7.6,THB:25:24:19.18:21,14:18:24.23:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.75,;-.56,6.22,;-2.1,6.22,;-2.58,4.75,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(O[C@@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.29,20.23,7.6,wD:22.24,THB:25:24:19.18:21,14:18:24.23:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.75,;-.56,6.22,;-2.1,6.22,;-2.58,4.75,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
Cc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1)C(O)=O |wU:16.20,12.14,wD:14.15,THB:7:10:16.15:13,17:16:11.10:13,(-1.33,2.31,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(OC2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:22.27,18.21,wD:20.22,THB:12:16:22.21:19,23:22:17.16:19,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.1,5.18,;-.56,5.18,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(C2CCOCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:24.29,20.23,wD:22.24,THB:14:18:24.23:21,25:24:19.18:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-1.33,3.85,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc([C@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:23.28,19.22,wD:21.23,6.5,THB:13:17:23.22:20,24:23:18.17:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc([C@@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:23.28,19.22,6.5,wD:21.23,THB:13:17:23.22:20,24:23:18.17:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(O[C@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:24.29,20.23,wD:22.24,7.6,THB:14:18:24.23:21,25:24:19.18:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.76,;-.56,6.22,;-2.1,6.22,;-2.58,4.76,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
OC(=O)c1cc(O[C@@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(F)cccc1Cl)C1CC1 |wU:24.29,20.23,7.6,wD:22.24,THB:14:18:24.23:21,25:24:19.18:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.76,;-.56,6.22,;-2.1,6.22,;-2.58,4.76,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;3.53,-9,;2.4,-7.95,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(C)cc(cc2s1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;-1.33,2.31,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;4,3.85,;5.33,1.54,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(OC3CC3)cc(cc2s1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.1,5.18,;-.56,5.18,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(cc(cc2s1)C(O)=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;4,3.85,;5.33,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-1.33,3.85,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(cc(cc2s1)C(O)=O)[C@H]1CCOC1 |wU:18.20,22.24,wD:20.23,37.43,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(cc(cc2s1)C(O)=O)[C@@H]1CCOC1 |wU:18.20,22.24,37.43,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(O[C@H]3CCOC3)cc(cc2s1)C(O)=O |wU:18.20,22.24,wD:20.23,30.34,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.76,;-.56,6.22,;-2.1,6.22,;-2.58,4.76,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;4,3.85,;5.33,1.54,)|
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(O[C@@H]3CCOC3)cc(cc2s1)C(O)=O |wU:18.20,22.24,30.34,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.76,;-.56,6.22,;-2.1,6.22,;-2.58,4.76,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;4,3.85,;5.33,1.54,)|
Cc1cccc(C)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(C)cc(cc2s1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(3.98,-13.05,;4.32,-11.55,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;0,-0,;0,1.54,;-1.33,2.31,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1 |THB:20:19:14.13:16,9:13:19.18:16|
OC(=O)c1cc(OC2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)C1CCC2(CC2)CC1 |TLB:23:22:16.17:19,12:16:21.22:19|
OC(=O)c1cc(C2CCOCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1 |TLB:25:24:18.19:21,14:18:23.24:21|
OC(=O)c1cc([C@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
OC(=O)c1cc([C@@H]2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
OC(=O)c1cc(C2CCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCC2(CC2)CC1)C1CC1 |TLB:23:22:16.17:19,12:16:21.22:19|
OC(=O)c1cc(C2CCCC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1CC1)C1CCC2(CC2)CC1 |TLB:24:23:17.18:20,13:17:22.23:20|
OC(=O)c1cc(C2CCC2)c2nc(sc2c1)N1C[C@H]2C[C@@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:18.21,wD:20.22,22.27,TLB:23:22:16.17:19,12:16:21.22:19,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.42,-3.4,;1.33,-4.49,;.24,-3.4,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
OC(=O)c1cc(C2CCCC2)c2nc(sc2c1)N1C[C@H]2C[C@@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.22,wD:21.23,23.28,TLB:24:23:17.18:20,13:17:22.23:20,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,)|
COc1cc(Cl)c(-c2noc(C3CC3)c2CO[C@@H]2C[C@@H]3C[C@H]2CN3c2nc3c(F)cc(cc3s2)C(O)=O)c(Cl)c1 |wU:17.18,21.22,wD:19.21,TLB:16:17:22.23:20,24:23:17.18:20,(8.73,-10.19,;7.6,-9.14,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.96,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;0,-0,;0,1.54,;-1.33,2.31,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,;3.53,-9,;2.4,-7.95,;5,-8.55,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cc(O)cc1Cl)C1CC1 |wU:19.23,15.17,wD:17.18,THB:20:19:14.13:16,9:13:19.18:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;7.6,-9.14,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
COc1ccccc1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(F)cc(cc2s1)C(O)=O |TLB:17:18:23.24:21,25:24:18.19:21|
COc1cccc(c1)-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(F)cc(cc2s1)C(O)=O |TLB:17:18:23.24:21,25:24:18.19:21|
COc1ccc(cc1)-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(F)cc(cc2s1)C(O)=O |TLB:17:18:23.24:21,25:24:18.19:21|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1O)C1CC1 |THB:20:19:14.13:16,9:13:19.18:16|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1cccc(O)c1)C1CC1 |THB:20:19:14.13:16,9:13:19.18:16|
OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccc(O)cc1)C1CC1 |THB:20:19:14.13:16,9:13:19.18:16|
CCc1cc(cc2sc(nc12)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O)C(O)=O |wU:14.16,33.38,wD:12.39,TLB:15:14:35.11:34,8:11:14.13:34,THB:36:35:14.13:34,(-1.33,3.85,;-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-2.21,-5.81,;-3.16,-7.04,;-2.53,-4.12,;-3.84,-3.31,;4,2.31,;5.33,1.54,;4,3.85,)|
OC(=O)c1cc(C2CC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:16.44,18.21,wD:37.43,TLB:40:39:17.18:38,THB:19:18:15.39:38,11:15:17.18:38,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.1,-3.64,;.56,-3.64,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;10.33,-.99,;11.67,-1.74,;13.07,-1.09,;14.12,-2.22,;13.37,-3.56,;11.86,-3.27,;10.73,-4.31,;9.26,-3.86,;8.91,-2.36,;8.13,-4.91,;8.47,-6.41,;9.94,-6.86,;11.07,-5.82,;12.54,-6.27,;13.37,.42,;12.87,1.88,;14.38,1.58,;7.48,.91,;5.67,3.13,;6.89,-.6,;6.78,-2.14,)|
OC(=O)c1cc(C2CCC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:17.45,19.22,wD:38.44,TLB:41:40:18.19:39,THB:20:19:16.40:39,12:16:18.19:39,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.42,-3.4,;1.33,-4.49,;.24,-3.4,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,;7.48,.91,;5.67,3.13,;6.89,-.6,;6.78,-2.14,)|
OC(=O)c1cc(OC2CC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:17.45,19.22,wD:38.44,TLB:41:40:18.19:39,THB:20:19:16.40:39,12:16:18.19:39,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;,-3.08,;-.77,-4.41,;-1.54,-3.08,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,;7.48,.91,;5.67,3.13,;6.89,-.6,;6.78,-2.14,)|
OC(=O)c1cc(C2CCOCC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:21.24,40.46,wD:19.47,TLB:22:21:42.18:41,14:18:21.20:41,THB:43:42:21.20:41,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-1.33,3.85,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-2.21,-5.81,;-3.16,-7.04,;-2.53,-4.12,;-3.84,-3.31,)|
OC(=O)c1cc(C2CCOC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:20.23,39.45,wD:18.46,TLB:21:20:41.17:40,13:17:20.19:40,THB:42:41:20.19:40,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-2.21,-5.81,;-3.16,-7.04,;-2.53,-4.12,;-3.84,-3.31,)|
OC(=O)c1cc(C2CC3(C2)CCOCC3)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:24.28,43.50,wD:22.51,TLB:25:24:45.21:44,17:21:24.23:44,THB:46:45:24.23:44,(7.09,.11,;6.69,-1.38,;7.78,-2.47,;5.21,-1.78,;4.12,-.69,;2.63,-1.09,;1.54,,;;,1.54,;1.54,1.54,;-1.49,1.14,;-2.58,2.23,;-2.18,3.72,;-.69,4.12,;.4,3.03,;2.23,-2.58,;.86,-3.28,;1.1,-4.8,;2.62,-5.04,;3.32,-3.67,;4.81,-3.27,;.01,-5.89,;-.01,-7.41,;1.28,-8.39,;-.13,-8.32,;-.55,-9.81,;.52,-10.91,;.1,-12.39,;-1.34,-12.92,;-1.28,-14.46,;.2,-14.88,;1.06,-13.6,;2.59,-13.54,;3.41,-14.85,;2.69,-16.21,;4.95,-14.79,;5.67,-13.43,;4.85,-12.13,;3.31,-12.18,;2.49,-10.88,;-2.62,-12.06,;-4.16,-11.96,;-3.3,-10.68,;-1.41,-7.62,;-2.64,-8.56,;-1.28,-5.9,;-2.34,-4.78,)|
OC(=O)c1cc(O[C@H]2CCOC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:21.24,40.46,wD:19.47,7.6,TLB:22:21:42.18:41,14:18:21.20:41,THB:43:42:21.20:41,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-.09,4.75,;-.56,6.22,;-2.1,6.22,;-2.58,4.75,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;-2.21,-5.81,;-3.16,-7.04,;-2.53,-4.12,;-3.84,-3.31,)|
OC(=O)CCc1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:14.15,33.37,wD:12.38,TLB:15:14:35.11:34,8:11:14.13:34,THB:36:35:14.13:34,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
OC(=O)CCc1ccc(N2[C@@H]3C[C@@H](OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)[C@@H](C3)C2=O)c(F)c1 |wU:12.12,31.34,wD:10.35,TLB:13:12:33.9:32,8:9:12.11:32,THB:34:33:12.11:32,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
OC(=O)CCc1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:15.16,34.38,wD:13.39,TLB:16:15:36.12:35,8:12:15.14:35,THB:37:36:15.14:35,(6.06,-12.55,;7.07,-11.39,;8.58,-11.68,;6.57,-9.93,;5.06,-9.63,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
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Fc1cc(ccc1C(=O)NS(=O)(=O)CCC1CCOC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:23.25,42.47,wD:21.48,TLB:24:23:44.20:43,3:20:23.22:43,THB:45:44:23.22:43,(7.09,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;6.56,-14.01,;7.06,-15.46,;6.18,-16.72,;7.1,-17.95,;8.56,-17.45,;8.53,-15.91,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.19,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.92,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.13,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.11,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.08,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.42,;5.06,-9.63,;4.05,-10.79,;6.57,-9.93,;7.07,-11.38,;5.62,-11.88,;8.53,-10.89,;7.57,-12.84,;6.54,-13.99,;7.02,-15.45,;8.52,-15.77,;9.55,-14.63,;9.08,-13.16,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)CC1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.57,-9.93,;4.05,-10.8,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;5.05,-13.71,;6.56,-14,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;6.69,-14.1,;7.61,-15.33,;9.07,-14.84,;9.04,-13.3,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)CC1CCOC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;6.57,-9.93,;4.05,-10.8,;4.55,-12.25,;3.09,-12.75,;6.01,-11.75,;5.05,-13.71,;6.56,-14,;7.21,-15.4,;8.74,-15.22,;9.03,-13.7,;7.69,-12.96,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)CCC1CCOC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(1.79,.95,;1.79,2.49,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.19,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;7.58,-8.77,;8.6,-7.61,;8.75,-9.78,;6.42,-7.76,;6.72,-6.25,;8.18,-5.75,;9.44,-6.63,;10.67,-5.71,;10.17,-4.25,;8.63,-4.28,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CCCC1 |wU:20.23,18.20,wD:22.24,TLB:24:23:19.18:21,THB:17:18:25.23:21,26:25:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;-.86,-4.91,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-2.82,-1.03,;-1.68,-2.06,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,2.76,;-9.68,4.09,;-8.65,5.24,;-7.25,4.61,)|
O[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:21.23,40.45,5.6,wD:19.46,1.0,TLB:22:21:42.18:41,15:18:21.20:41,THB:43:42:21.20:41,(10.28,-12.37,;9.04,-13.3,;9.07,-14.84,;7.61,-15.33,;6.69,-14.1,;7.57,-12.84,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
NS(=O)(=O)[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:21.23,40.45,8.9,wD:19.46,4.3,TLB:22:21:42.18:41,15:18:21.20:41,THB:43:42:21.20:41,(11.01,-9.99,;9.78,-10.91,;10.7,-12.14,;8.85,-9.68,;8.54,-11.84,;8.57,-13.38,;7.11,-13.88,;6.19,-12.65,;7.07,-11.39,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
O[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:22.24,41.46,5.6,wD:20.47,1.0,TLB:23:22:43.19:42,15:19:22.21:42,THB:44:43:22.21:42,(10.28,-12.37,;9.04,-13.3,;9.07,-14.84,;7.61,-15.33,;6.69,-14.1,;7.57,-12.84,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.08,-7.31,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
NS(=O)(=O)[C@@H]1CCC[C@H]1OC(=O)c1ccc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:22.24,41.46,8.9,wD:20.47,4.3,TLB:23:22:43.19:42,15:19:22.21:42,THB:44:43:22.21:42,(11.01,-9.99,;9.78,-10.91,;10.7,-12.14,;8.85,-9.68,;8.54,-11.84,;8.57,-13.38,;7.11,-13.88,;6.19,-12.65,;7.07,-11.39,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.08,-7.31,;3.06,-3.81,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
CO[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ncc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:23.25,42.47,6.7,wD:21.48,2.1,TLB:24:23:44.20:43,16:20:23.22:43,THB:45:44:23.22:43,(11.69,-12.97,;10.28,-12.37,;9.04,-13.3,;9.07,-14.84,;7.61,-15.33,;6.69,-14.1,;7.57,-12.84,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.08,-7.31,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
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O[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)c1ccc(cn1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:21.23,40.45,5.6,wD:19.46,1.0,TLB:22:21:42.18:41,15:18:21.20:41,THB:43:42:21.20:41,(10.28,-12.37,;9.04,-13.3,;9.07,-14.84,;7.61,-15.34,;6.69,-14.1,;7.57,-12.84,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(nc1)C(=O)NS(=O)(=O)C1CC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(nc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.25:21,26:25:18.19:21,THB:24:23:18.19:21,(-7.39,-1.68,;-6.48,-2.93,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-4.95,-2.76,;-4.33,-1.35,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.84,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;5.09,-2.18,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1C(=O)N2c1ccc(nc1)C(=O)NS(=O)(=O)C1CCCC1 |wU:20.23,18.20,wD:22.24,TLB:24:23:19.18:21,THB:17:18:25.23:21,26:25:19.18:21,(9.88,-8.68,;9.69,-7.15,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;8.28,-6.54,;7.05,-7.47,;7.07,-9.01,;5.61,-9.51,;4.69,-8.28,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;-.86,-4.91,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.5,.47,;-1.04,.95,;.11,-.08,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,2.76,;-9.68,4.09,;-8.65,5.24,;-7.25,4.61,)|
CC1(C)CC(CCO1)S(=O)(=O)NC(=O)c1ccc(cn1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:23.25,42.47,wD:21.48,TLB:24:23:44.20:43,17:20:23.22:43,THB:45:44:23.22:43,(11.06,-14.15,;9.58,-14.6,;10.78,-15.57,;9.08,-13.14,;7.57,-12.84,;6.56,-14,;7.06,-15.46,;8.57,-15.76,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
Fc1cc(cnc1C(=O)NS(=O)(=O)C1CC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:19.21,38.43,wD:17.44,TLB:20:19:40.16:39,3:16:19.18:39,THB:41:40:19.18:39,(7.08,-7.31,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;8.73,-13.85,;7.28,-14.35,;3.06,-3.81,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
Fc1cc(cnc1C(=O)NS(=O)(=O)C1CCCC1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:19.46,21.23,wD:40.45,TLB:43:42:20.21:41,THB:22:21:18.42:41,3:18:20.21:41,(-4.29,-1.51,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.5,.47,;-3.65,1.5,;-3.33,3.01,;-5.11,1.02,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-7.41,3.08,;-8.91,2.76,;-9.68,4.09,;-8.65,5.24,;-7.25,4.61,;.93,-2.61,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,;1.7,-3.12,;1.83,-.25,;.25,-3.85,;-.86,-4.91,)|
CC1(C)CC(CCO1)S(=O)(=O)NC(=O)c1ncc(cc1F)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:24.26,43.48,wD:22.49,TLB:25:24:45.21:44,17:21:24.23:44,THB:46:45:24.23:44,(11.06,-14.15,;9.58,-14.6,;10.78,-15.57,;9.08,-13.14,;7.57,-12.84,;6.56,-14,;7.06,-15.46,;8.57,-15.76,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;3.06,-3.81,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.05,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.18,)|
OC(=O)CNC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:16.17,35.39,wD:14.40,TLB:17:16:37.13:36,10:13:16.15:36,THB:38:37:16.15:36,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.19,)|
OS(=O)(=O)CCNC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:18.19,37.41,wD:16.42,TLB:19:18:39.15:38,12:15:18.17:38,THB:40:39:18.17:38,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.19,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1)C(O)=O |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1)C(O)=O |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(C(O)=O)c(F)c1 |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1F)C(O)=O |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1F)C(O)=O |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
CC[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1)C(O)=O |wU:7.8,3.3,2.1,wD:5.4,TLB:8:7:2.26:4,1:2:7.6:4,THB:27:26:7.6:4,(6.22,-3.23,;5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
CC[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cc1)C(O)=O |wU:5.4,wD:7.8,3.3,2.1,TLB:8:7:2.26:4,1:2:7.6:4,THB:27:26:7.6:4,(6.22,-3.23,;5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(nc1)C(O)=O |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(nc1)C(O)=O |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cn1)C(O)=O |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cn1)C(O)=O |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(nc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(nc1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
C[C@@H]1[C@@H]2C[C@@H](C[C@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cn1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:6.7,2.2,1.0,wD:4.3,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
C[C@H]1[C@H]2C[C@H](C[C@@H]2OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)N1c1ccc(cn1)C(=O)NS(=O)(=O)C1CCOCC1 |wU:4.3,wD:6.7,2.2,1.0,TLB:7:6:1.25:3,0:1:6.5:3,THB:26:25:6.5:3,(5.09,-2.18,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.84,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.35,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;3.06,-3.81,;3.56,-5.26,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;5.06,-9.63,;4.05,-10.8,;6.57,-9.93,;7.07,-11.39,;5.62,-11.89,;8.53,-10.89,;7.57,-12.84,;9.08,-13.14,;9.58,-14.6,;8.57,-15.76,;7.06,-15.46,;6.56,-14,)|
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OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1ccccc1)C1CC1 |r,THB:21:19:13:15.16|
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |r,THB:21:19:13:15.16|
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COc1cc2nc(sc2cc1C(O)=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(F)cccc1F)C1CC1 |r,wU:18.20,wD:15.16,20.25,THB:22:20:14:16.17,(2.87,8.01,;1.54,8.78,;.21,8.01,;.21,6.47,;-1.13,5.7,;-1.45,4.19,;-2.98,4.03,;-3.6,5.44,;-2.46,6.47,;-2.46,8.01,;-1.13,8.78,;-1.13,10.32,;-2.46,11.09,;.21,11.09,;-3.75,2.7,;-4.95,1.73,;-6.58,1.93,;-5.4,1.26,;-3.95,1.38,;-3.08,-.12,;-4.29,-1.09,;-4.06,.14,;-5.08,-2.41,;-4.33,-3.75,;-2.79,-3.78,;-5.12,-5.08,;-6.65,-5.21,;-7,-6.72,;-5.68,-7.51,;-4.52,-6.49,;-3.01,-6.84,;-2.56,-8.31,;-3.61,-9.44,;-1.06,-8.65,;-.01,-7.52,;-.47,-6.05,;-1.97,-5.71,;-2.42,-4.24,;-7.67,-4.05,;-9.12,-3.56,;-7.96,-2.54,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(noc1C1CC1)C1CCC2(CC2)CC1 |r,THB:9:13:19.18.20:15.16|
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |r,TLB:9:13:15.16:18.20.19|
COc1cc(cc2sc(nc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1)C(O)=O |r,THB:19:17:13.14:11|
COc1cc2nc(sc2cc1C(O)=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |r,THB:22:20:16.17:14|
Cc1onc(c1C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc2c(F)cc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |r,wU:14.17,wD:11.18,9.9,TLB:8:9:16:12.13,(-7.81,-4.27,;-6.8,-5.43,;-7.14,-6.93,;-5.82,-7.72,;-4.66,-6.71,;-5.26,-5.29,;-4.47,-3.97,;-2.93,-4,;-5.22,-2.63,;-4.43,-1.31,;-4.21,-.07,;-5.09,1.51,;-6.72,1.71,;-5.55,1.04,;-4.1,1.16,;-3.23,-.34,;-3.89,2.48,;-3.12,3.81,;-1.59,3.97,;-1.27,5.48,;.06,6.25,;1.4,5.48,;.06,7.79,;-1.27,8.56,;-2.6,7.79,;-2.6,6.25,;-3.75,5.22,;-1.27,10.1,;.06,10.87,;-2.6,10.87,;-3.16,-7.05,;-2.11,-5.92,;-2.56,-4.45,;-.61,-6.27,;-.16,-7.74,;-1.2,-8.87,;-2.71,-8.53,;-3.75,-9.65,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CCC1 |r,wU:17.19,wD:14.15,19.24,THB:21:19:13:15.16,(.45,13.52,;-.89,12.75,;-2.22,13.52,;-.89,11.21,;.45,10.44,;.45,8.9,;1.78,8.13,;-.89,8.13,;-1.21,6.62,;-2.74,6.46,;-3.37,7.87,;-2.22,8.9,;-2.22,10.44,;-3.51,5.13,;-4.71,4.16,;-6.34,4.36,;-5.16,3.69,;-3.72,3.81,;-2.85,2.31,;-4.05,1.34,;-3.82,2.57,;-4.84,.02,;-4.09,-1.32,;-2.55,-1.35,;-4.88,-2.65,;-6.42,-2.78,;-6.76,-4.29,;-5.44,-5.08,;-4.28,-4.06,;-2.78,-4.41,;-1.73,-3.28,;-2.18,-1.81,;-.23,-3.62,;.23,-5.09,;-.82,-6.22,;-2.32,-5.88,;-3.37,-7.01,;-7.43,-1.62,;-8.97,-1.52,;-8.86,.02,;-7.32,-.09,)|
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COC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(noc1C1(C)CC1)-c1c(Cl)cccc1Cl |r,wU:18.20,wD:15.16,20.25,THB:22:20:14:16.17,(.4,15.11,;.4,13.57,;-.94,12.8,;-2.27,13.57,;-.94,11.26,;.4,10.49,;.4,8.95,;1.73,8.18,;-.94,8.18,;-1.26,6.68,;-2.79,6.52,;-3.42,7.92,;-2.27,8.95,;-2.27,10.49,;-3.56,5.18,;-4.76,4.21,;-6.39,4.41,;-5.21,3.75,;-3.77,3.87,;-2.9,2.37,;-4.1,1.4,;-3.87,2.63,;-4.89,.08,;-4.14,-1.27,;-2.6,-1.29,;-4.93,-2.59,;-4.33,-4.01,;-5.49,-5.02,;-6.81,-4.23,;-6.47,-2.73,;-7.48,-1.57,;-6.51,-.37,;-8.83,-.82,;-8.8,-2.36,;-2.83,-4.35,;-1.78,-3.22,;-2.23,-1.75,;-.28,-3.56,;.18,-5.03,;-.87,-6.16,;-2.37,-5.82,;-3.42,-6.95,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |r,wU:17.19,wD:14.15,19.24,THB:21:19:13:15.16,(.39,8.12,;-.94,7.35,;-2.27,8.12,;-.94,5.81,;.39,5.04,;.39,3.5,;1.73,2.73,;-.94,2.73,;-1.26,1.22,;-2.79,1.06,;-3.42,2.47,;-2.27,3.5,;-2.27,5.04,;-3.56,-.28,;-4.76,-1.24,;-6.39,-1.04,;-5.21,-1.71,;-3.77,-1.59,;-2.9,-3.09,;-4.1,-4.06,;-3.87,-2.83,;-4.89,-5.38,;-4.14,-6.72,;-2.6,-6.75,;-4.93,-8.05,;-4.33,-9.46,;-5.49,-10.48,;-6.81,-9.69,;-6.47,-8.18,;-7.48,-7.02,;-6.51,-5.83,;-8.83,-6.28,;-8.8,-7.82,;-2.83,-9.81,;-1.78,-8.68,;-2.23,-7.21,;-.28,-9.02,;.18,-10.49,;-.87,-11.62,;-2.37,-11.28,;-3.42,-12.41,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.19,wD:14.15,19.24,THB:21:19:13:15.16,(-8.85,7.53,;-7.35,7.85,;-6.72,9.26,;-5.19,9.1,;-4.16,10.24,;-4.63,11.71,;-2.65,9.92,;-4.87,7.59,;-3.53,6.82,;-3.53,5.28,;-4.87,4.51,;-6.2,5.28,;-6.2,6.82,;-4.87,2.97,;-5.42,1.54,;-6.94,.89,;-5.58,.9,;-4.39,1.73,;-2.89,.87,;-3.45,-.57,;-3.86,.61,;-3.47,-2.11,;-2.15,-2.9,;-.8,-2.15,;-2.17,-4.44,;-3.43,-5.33,;-2.98,-6.8,;-1.44,-6.83,;-.94,-5.37,;.53,-4.91,;.88,-3.41,;-.25,-2.37,;2.35,-2.96,;3.48,-4.01,;3.13,-5.51,;1.66,-5.96,;1.32,-7.46,;-4.89,-4.83,;-5.9,-3.67,;-6.4,-5.13,)|
COC(=O)c1noc2cc(ccc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.19,wD:19.24,14.15,THB:21:19:16.15:13,(-3.58,8.05,;-4.61,6.9,;-4.14,5.44,;-2.63,5.12,;-5.17,4.3,;-6.7,4.46,;-7.33,3.05,;-6.18,2.02,;-6.18,.48,;-4.85,-.29,;-3.51,.48,;-3.51,2.02,;-4.85,2.79,;-4.85,-1.83,;-5.4,-3.27,;-6.92,-3.91,;-5.56,-3.9,;-4.37,-3.07,;-2.87,-3.94,;-3.43,-5.38,;-3.84,-4.2,;-3.45,-6.92,;-2.13,-7.71,;-.78,-6.96,;-2.15,-9.25,;-3.41,-10.13,;-2.96,-11.61,;-1.42,-11.63,;-.92,-10.17,;.55,-9.72,;.9,-8.22,;-.23,-7.17,;2.37,-7.76,;3.5,-8.81,;3.15,-10.31,;1.68,-10.77,;1.34,-12.27,;-4.87,-9.64,;-6.38,-9.93,;-5.88,-8.48,)|
CN1c2cc(ccc2C(=O)C1(F)F)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.19,14.15,wD:19.24,THB:4:13:19.18.20:16.15,(5.71,-18.63,;6.48,-17.3,;6.16,-15.79,;4.82,-15.02,;4.82,-13.48,;6.16,-12.71,;7.49,-13.48,;7.49,-15.02,;8.64,-16.05,;10.12,-15.66,;8.01,-17.46,;7.61,-18.95,;9.1,-18.55,;3.49,-12.71,;3.49,-11.17,;2.18,-11.5,;1.39,-12.15,;2.16,-13.48,;.82,-12.71,;.82,-11.17,;2.16,-10.4,;-.51,-10.4,;-1.84,-11.17,;-1.07,-12.51,;-3.18,-10.4,;-3.65,-8.94,;-5.19,-8.94,;-5.67,-10.4,;-4.42,-11.31,;-4.42,-12.85,;-5.96,-12.85,;-7.05,-11.76,;-6.73,-14.18,;-5.96,-15.52,;-4.42,-15.52,;-3.65,-14.18,;-2.17,-13.78,;-2.88,-7.61,;-2.88,-6.07,;-1.55,-6.84,)|
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OC(=O)c1ccc(N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2c(onc2-c2ccccc2Cl)C2CC2)c(F)c1 |r,THB:15:13:10.9:7|
CS(=O)(=O)NC(=O)c1ccc(cc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.18,14.14,wD:19.23,THB:10:13:19.18.20:16.15,(10.06,-10.45,;8.72,-11.22,;7.95,-12.55,;9.49,-12.55,;7.39,-10.45,;6.06,-11.22,;6.06,-12.76,;4.72,-10.45,;3.39,-11.22,;2.05,-10.45,;2.05,-8.91,;3.39,-8.14,;4.72,-8.91,;.72,-8.14,;.72,-6.6,;-.3,-6.68,;-1.34,-7.81,;-.61,-8.91,;-1.95,-8.14,;-1.95,-6.6,;-.61,-5.83,;-3.28,-5.83,;-4.61,-6.6,;-4.61,-8.14,;-5.95,-5.83,;-6.42,-4.36,;-7.96,-4.36,;-8.44,-5.83,;-7.19,-6.73,;-7.19,-8.27,;-8.68,-8.67,;-9.77,-7.58,;-9.08,-10.16,;-7.99,-11.25,;-6.5,-10.85,;-6.11,-9.36,;-4.31,-9.36,;-5.52,-3.12,;-4.11,-2.49,;-5.36,-1.59,)|
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CC(C)S(=O)(=O)NC(=O)c1ccc(cc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:19.20,16.16,wD:21.25,THB:12:15:21.20.22:18.17,(10.06,-8.91,;10.06,-10.45,;11.39,-11.22,;8.72,-11.22,;7.95,-12.55,;9.49,-12.55,;7.39,-10.45,;6.06,-11.22,;6.06,-12.76,;4.72,-10.45,;3.39,-11.22,;2.05,-10.45,;2.05,-8.91,;3.39,-8.14,;4.72,-8.91,;.72,-8.14,;.72,-6.6,;-.3,-6.68,;-1.34,-7.81,;-.61,-8.91,;-1.95,-8.14,;-1.95,-6.6,;-.61,-5.83,;-3.28,-5.83,;-4.61,-6.6,;-4.61,-8.14,;-5.95,-5.83,;-6.42,-4.36,;-7.96,-4.36,;-8.44,-5.83,;-7.19,-6.73,;-7.19,-8.27,;-8.68,-8.67,;-9.77,-7.58,;-9.08,-10.16,;-7.99,-11.25,;-6.5,-10.85,;-6.11,-9.36,;-4.31,-9.36,;-5.52,-3.12,;-4.11,-2.49,;-5.36,-1.59,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |r,wU:24.29,21.30,wD:19.21,THB:27:26:19.25.20:23.22,(-9.77,-7.58,;-8.68,-8.67,;-9.08,-10.16,;-7.99,-11.25,;-6.5,-10.85,;-6.11,-9.36,;-4.31,-9.36,;-7.19,-8.27,;-7.19,-6.73,;-8.44,-5.83,;-7.96,-4.36,;-6.42,-4.36,;-5.52,-3.12,;-4.11,-2.49,;-5.36,-1.59,;-5.95,-5.83,;-4.61,-6.6,;-4.61,-8.14,;-3.28,-5.83,;-1.95,-6.6,;-.61,-5.83,;.72,-6.6,;-.3,-6.68,;-1.34,-7.81,;-.61,-8.91,;-1.95,-8.14,;.72,-8.14,;2.05,-8.91,;2.05,-10.45,;3.39,-11.22,;4.72,-10.45,;4.72,-8.91,;3.39,-8.14,;6.06,-11.22,;6.06,-12.76,;7.39,-10.45,;8.72,-11.22,;7.95,-12.55,;9.49,-12.55,;10.06,-10.45,;10.83,-9.11,;11.59,-10.29,)|
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CS(=O)(=O)NC(=O)c1ccc(N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |r,wU:15.15,12.11,wD:17.20,THB:10:11:17.16.18:14.13,(10.06,-10.45,;8.72,-11.22,;7.95,-12.55,;9.49,-12.55,;7.39,-10.45,;6.06,-11.22,;6.06,-12.76,;4.72,-10.45,;3.39,-11.22,;2.05,-10.45,;2.05,-8.91,;.72,-8.14,;.72,-6.6,;-.3,-6.68,;-1.34,-7.81,;-.61,-8.91,;-1.95,-8.14,;-1.95,-6.6,;-.61,-5.83,;-3.28,-5.83,;-4.61,-6.6,;-4.61,-8.14,;-5.95,-5.83,;-6.42,-4.36,;-7.96,-4.36,;-8.44,-5.83,;-7.19,-6.73,;-7.19,-8.27,;-8.68,-8.67,;-9.77,-7.58,;-9.08,-10.16,;-7.99,-11.25,;-6.5,-10.85,;-6.11,-9.36,;-4.31,-9.36,;-5.52,-3.12,;-4.11,-2.49,;-5.36,-1.59,;3.39,-8.14,;3.39,-6.6,;4.72,-8.91,)|
CS(=O)(=O)NC(=O)c1ccc(N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(Cl)c1 |r,wU:15.15,12.11,wD:17.20,THB:10:11:17.16.18:14.13,(10.06,-10.45,;8.72,-11.22,;7.95,-12.55,;9.49,-12.55,;7.39,-10.45,;6.06,-11.22,;6.06,-12.76,;4.72,-10.45,;3.39,-11.22,;2.05,-10.45,;2.05,-8.91,;.72,-8.14,;.72,-6.6,;-.3,-6.68,;-1.34,-7.81,;-.61,-8.91,;-1.95,-8.14,;-1.95,-6.6,;-.61,-5.83,;-3.28,-5.83,;-4.61,-6.6,;-4.61,-8.14,;-5.95,-5.83,;-6.42,-4.36,;-7.96,-4.36,;-8.44,-5.83,;-7.19,-6.73,;-7.19,-8.27,;-8.68,-8.67,;-9.77,-7.58,;-9.08,-10.16,;-7.99,-11.25,;-6.5,-10.85,;-6.11,-9.36,;-4.31,-9.36,;-5.52,-3.12,;-4.11,-2.49,;-5.36,-1.59,;3.39,-8.14,;3.39,-6.6,;4.72,-8.91,)|
Oc1cc(ccc1C#N)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:13.14,10.10,wD:15.19,THB:3:9:15.14.16:12.11,(2.18,4.76,;1.86,6.26,;.52,7.03,;.52,8.57,;1.86,9.34,;3.19,8.57,;3.19,7.03,;4.34,6,;5.48,4.97,;-.81,9.34,;-.81,10.88,;-1.83,10.8,;-2.87,9.67,;-2.14,8.57,;-3.48,9.34,;-3.48,10.88,;-2.14,11.65,;-4.81,11.65,;-6.14,10.88,;-5.31,9.43,;-7.48,11.65,;-7.95,13.12,;-9.49,13.12,;-9.97,11.65,;-8.72,10.75,;-8.72,9.21,;-10.21,8.81,;-11.3,9.9,;-10.61,7.32,;-9.52,6.23,;-8.03,6.63,;-7.64,8.12,;-6.01,8.55,;-7.05,14.36,;-5.64,14.99,;-6.89,15.9,)|
OC(=O)c1ncc(cn1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:13.14,10.10,wD:15.19,THB:6:9:15.14.16:12.11,(5.37,-5.15,;5.37,-3.6,;6.71,-2.83,;4.03,-2.83,;2.65,-3.57,;1.31,-2.8,;1.31,-1.26,;2.65,-.49,;3.98,-1.26,;-.02,-.49,;-.02,1.05,;-1.33,.72,;-2.13,.07,;-1.36,-1.26,;-2.69,-.49,;-2.69,1.05,;-1.36,1.82,;-4.02,1.82,;-5.36,1.05,;-5.36,-.55,;-6.69,1.82,;-7.17,3.28,;-8.71,3.28,;-9.18,1.82,;-7.94,.91,;-7.94,-.63,;-9.48,-.63,;-10.23,.69,;-10.25,-1.96,;-9.48,-3.29,;-7.94,-3.29,;-7.17,-1.96,;-5.48,-1.96,;-6.4,4.62,;-6.4,6.16,;-5.06,5.39,)|
OC(=O)c1cccc(c1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:16.17,13.13,wD:18.22,THB:9:12:18.17.19:14.15,(9.7,-8.85,;8.36,-9.62,;8.36,-11.16,;7.03,-8.85,;7.03,-7.31,;5.7,-6.54,;4.36,-7.31,;4.36,-8.85,;5.7,-9.62,;3.03,-9.62,;1.94,-10.7,;4.12,-10.7,;1.69,-8.85,;1.69,-7.31,;.54,-7.25,;-.41,-8.28,;.36,-9.62,;-.97,-8.85,;-.97,-7.31,;.36,-6.54,;-2.31,-6.54,;-3.64,-7.31,;-3.64,-8.85,;-4.97,-6.54,;-5.45,-5.07,;-6.99,-5.07,;-7.47,-6.54,;-6.22,-7.44,;-6.22,-8.98,;-7.76,-8.98,;-8.53,-7.65,;-8.53,-10.31,;-7.76,-11.65,;-6.22,-11.65,;-5.45,-10.31,;-3.91,-10.31,;-4.54,-3.82,;-3.14,-3.2,;-4.38,-2.29,)|
OC(=O)c1cc(F)cc(c1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.18,wD:19.23,14.14,THB:21:19:16.15:13,(-11.55,4.62,;-10.76,3.3,;-11.51,1.96,;-9.22,3.32,;-8.47,4.67,;-6.93,4.69,;-6.18,6.03,;-6.14,3.37,;-6.89,2.02,;-8.43,2,;-6.1,.7,;-4.78,1.49,;-7.42,-.09,;-5.31,-.62,;-5.05,-2.14,;-6.02,-3.47,;-4.86,-2.77,;-4.27,-1.44,;-2.53,-1.41,;-2.27,-2.94,;-3.24,-2.14,;-1.51,-4.27,;.03,-4.28,;.81,-2.94,;.8,-5.61,;.17,-7.02,;1.32,-8.05,;2.65,-7.28,;2.33,-5.77,;3.37,-4.63,;2.89,-3.16,;1.38,-2.84,;3.92,-2.02,;5.43,-2.34,;5.9,-3.81,;4.87,-4.95,;5.35,-6.42,;-1.33,-7.34,;-2.48,-8.36,;-2.8,-6.86,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |r,THB:13:17:23.22.24:20.19|
COC12CCC(CC1)(CC2)c1noc(C2CC2)c1C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc2c(OC(F)(F)F)cc(cc2s1)C(O)=O |r,THB:29:28:21.27.22:25.24|
Cc1cc(cc2sc(nc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl)C(O)=O |r,wU:14.16,wD:16.21,11.12,THB:18:16:13.12:10,(-10.7,-3.65,;-10.7,-2.11,;-12.04,-1.34,;-12.04,.2,;-10.7,.97,;-9.37,.2,;-7.9,.68,;-7,-.57,;-7.9,-1.82,;-9.37,-1.34,;-5.46,-.57,;-4.02,-1.12,;-3.38,-2.64,;-3.39,-1.28,;-4.22,-.09,;-3.35,1.41,;-1.91,.85,;-3.09,.43,;-.37,.83,;.42,2.15,;-.33,3.5,;1.96,2.13,;2.88,3.36,;4.34,2.86,;4.32,1.32,;2.84,.87,;2.35,-.59,;.82,-.35,;2.38,-2.13,;3.69,-1.33,;2.43,4.83,;.93,5.17,;-.12,4.04,;.47,6.65,;1.52,7.77,;3.02,7.43,;3.48,5.96,;4.98,5.62,;-13.37,.97,;-14.7,.2,;-13.37,2.51,)|
CCc1cc(cc2sc(nc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |r,wU:15.17,12.13,wD:17.22,THB:8:11:18.17.16:14.13,(4.9,-6.52,;4.13,-5.18,;4.9,-3.85,;6.44,-3.85,;7.21,-2.52,;6.44,-1.18,;4.9,-1.18,;3.87,-.04,;2.46,-.66,;2.63,-2.2,;4.13,-2.52,;1.13,.11,;1.13,1.65,;.04,1.68,;-.88,.68,;-.2,-.66,;-1.54,.11,;-1.54,1.65,;-.2,2.42,;-2.87,2.42,;-4.2,1.65,;-3.43,.31,;-5.54,2.42,;-5.7,3.95,;-7.21,4.27,;-7.98,2.93,;-6.94,1.79,;-6.94,.25,;-8.43,-.15,;-9.52,.94,;-8.83,-1.64,;-7.74,-2.73,;-6.25,-2.33,;-5.86,-.84,;-4.37,-.44,;-4.55,4.98,;-3.22,5.74,;-4.55,6.52,;8.75,-2.52,;9.52,-3.85,;9.52,-1.18,)|
Cc1cc(cc2sc(nc12)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1ccccc1C(F)(F)F)C1CC1)C(O)=O |r,THB:7:10:17.16.15:13.12|
CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |r,wU:23.25,20.21,wD:25.30,THB:15:19:26.25.24:22.21,(11.96,-6.2,;11.19,-4.86,;9.65,-4.86,;8.57,-3.77,;8.96,-2.29,;9.9,-3,;7.08,-4.17,;6.31,-2.84,;7.08,-1.5,;4.77,-2.84,;4,-4.17,;2.46,-4.17,;1.69,-5.51,;1.69,-2.84,;.18,-2.52,;.02,-.99,;1.43,-.36,;2.46,-1.5,;4,-1.5,;-1.31,-.22,;-1.31,1.32,;-2.4,1.36,;-3.33,.36,;-2.65,-.99,;-3.98,-.22,;-3.98,1.32,;-2.65,2.09,;-5.31,2.09,;-6.65,1.32,;-5.88,-.01,;-7.98,2.09,;-9.39,1.47,;-10.42,2.61,;-9.65,3.95,;-8.14,3.63,;-7,4.66,;-8.33,5.43,;-5.67,5.43,;-7,6.2,;-9.39,-.07,;-10.88,-.47,;-11.96,.62,;-11.27,-1.96,;-10.19,-3.05,;-8.7,-2.65,;-8.3,-1.16,;-6.81,-.76,)|
OCCN(CCO)CCOC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:26.28,23.24,wD:28.33,THB:18:22:29.28.27:25.24,(13.29,-6.66,;12.37,-5.33,;10.59,-5.33,;9.82,-4,;10.41,-2.57,;11.94,-2.37,;12.53,-.95,;8.33,-4.39,;7.24,-3.31,;5.76,-3.7,;4.99,-2.37,;5.76,-1.04,;3.45,-2.37,;2.68,-3.7,;1.14,-3.7,;.37,-5.04,;.37,-2.37,;-1.14,-2.05,;-1.3,-.52,;.11,.11,;1.14,-1.04,;2.68,-1.04,;-2.63,.25,;-2.63,1.79,;-3.72,1.82,;-4.65,.82,;-3.97,-.52,;-5.3,.25,;-5.3,1.79,;-3.97,2.56,;-6.64,2.56,;-7.97,1.79,;-7.2,.46,;-9.3,2.56,;-9.46,4.09,;-10.97,4.41,;-11.74,3.08,;-10.71,1.93,;-10.71,.39,;-12.2,-0,;-13.29,1.09,;-12.6,-1.49,;-11.51,-2.58,;-10.02,-2.18,;-9.62,-.69,;-8.13,-.3,;-8.32,5.12,;-6.99,5.9,;-8.33,6.66,)|
OCCN(CCO)C(=O)COC(=O)c1cc(F)c2nc(sc2c1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:27.29,24.25,wD:29.34,THB:19:23:30.29.28:26.25,(13.29,-6.66,;12.37,-5.33,;10.59,-5.33,;9.82,-4,;10.41,-2.57,;11.94,-2.37,;12.53,-.95,;8.33,-4.39,;7.24,-5.48,;7.24,-3.31,;5.76,-3.7,;4.99,-2.37,;5.76,-1.04,;3.45,-2.37,;2.68,-3.7,;1.14,-3.7,;.37,-5.04,;.37,-2.37,;-1.14,-2.05,;-1.3,-.52,;.11,.11,;1.14,-1.04,;2.68,-1.04,;-2.63,.25,;-2.63,1.79,;-3.72,1.82,;-4.65,.82,;-3.97,-.52,;-5.3,.25,;-5.3,1.79,;-3.97,2.56,;-6.64,2.56,;-7.97,1.79,;-7.2,.46,;-9.3,2.56,;-9.46,4.09,;-10.97,4.41,;-11.74,3.08,;-10.71,1.93,;-10.71,.39,;-12.2,-0,;-13.29,1.09,;-12.6,-1.49,;-11.51,-2.58,;-10.02,-2.18,;-9.62,-.69,;-8.13,-.3,;-8.32,5.12,;-6.99,5.9,;-8.33,6.66,)|
CC1(C)Cc2ccc(cc2Oc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)nc12)C(O)=O |(-2.09,-4.1,;-2.09,-2.51,;-.72,-3.3,;-3.63,-2.51,;-4.59,-1.3,;-6.07,-1.76,;-7.19,-.71,;-6.85,.79,;-5.38,1.25,;-4.25,.2,;-2.86,.87,;-1.48,.2,;-.35,1.25,;1.12,.79,;1.47,-.71,;2.94,-1.16,;4.07,-.11,;5.54,-.57,;6.01,-2.03,;7.55,-2.03,;8.03,-.57,;6.78,.34,;6.78,1.88,;8.12,2.65,;9.45,1.88,;8.12,4.19,;6.78,4.96,;5.45,4.19,;5.45,2.65,;4.12,1.88,;5.24,-3.37,;3.87,-4.16,;5.24,-4.96,;.34,-1.76,;-1.13,-1.3,;-7.98,1.84,;-9.45,1.39,;-7.64,3.34,)|
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4ccccc4OC(F)(F)F)C4CC4)ccc3Oc2c1
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4c(Cl)cc(F)cc4Cl)C4CC4)ccc3Oc2c1 |(-9.45,.62,;-7.98,1.07,;-7.64,2.57,;-6.85,.02,;-7.19,-1.48,;-6.07,-2.53,;-4.59,-2.07,;-3.63,-3.28,;-2.09,-3.28,;-2.09,-4.87,;-.72,-4.07,;-1.13,-2.07,;.34,-2.53,;1.47,-1.48,;2.94,-1.93,;4.07,-.88,;5.54,-1.34,;6.01,-2.8,;7.55,-2.8,;8.03,-1.34,;6.78,-.43,;6.78,1.11,;8.12,1.88,;9.45,1.11,;8.12,3.42,;6.78,4.19,;6.78,5.73,;5.45,3.42,;5.45,1.88,;4.12,1.11,;5.24,-4.14,;3.87,-4.93,;5.24,-5.73,;1.12,.02,;-.35,.48,;-1.48,-.57,;-2.86,.1,;-4.25,-.57,;-5.38,.48,)|
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cc(F)cc4Cl)C4CC4)ccc3Oc2c1 |(-9.45,.62,;-7.98,1.07,;-7.64,2.57,;-6.85,.02,;-7.19,-1.48,;-6.07,-2.53,;-4.59,-2.07,;-3.63,-3.28,;-2.09,-3.28,;-1.13,-2.07,;.34,-2.53,;1.47,-1.48,;2.94,-1.93,;4.07,-.88,;5.54,-1.34,;6.01,-2.8,;7.55,-2.8,;8.03,-1.34,;6.78,-.43,;6.78,1.11,;8.12,1.88,;9.45,1.11,;8.12,3.42,;6.78,4.19,;6.78,5.73,;5.45,3.42,;5.45,1.88,;4.12,1.11,;5.24,-4.14,;3.87,-4.93,;5.24,-5.73,;1.12,.02,;-.35,.48,;-1.48,-.57,;-2.86,.1,;-4.25,-.57,;-5.38,.48,)|
OC(=O)c1ccc(nc1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cncc2Cl)C2CC2)cc1Cl |(-10.1,-3.96,;-9.7,-2.47,;-10.79,-1.38,;-8.21,-2.07,;-7.82,-.58,;-6.33,-.18,;-5.24,-1.27,;-5.64,-2.76,;-7.13,-3.16,;-3.75,-.87,;-2.42,-1.64,;-1.65,-.31,;-1.65,1.23,;-2.98,.46,;-.16,.09,;.24,1.58,;1.73,1.97,;2.81,.89,;4.3,1.28,;5.39,.19,;6.88,.59,;7.35,2.06,;8.89,2.06,;9.37,.59,;8.12,-.31,;8.12,-1.85,;9.46,-2.62,;10.79,-1.85,;9.46,-4.16,;8.12,-4.93,;6.79,-4.16,;6.79,-2.62,;5.46,-1.85,;6.58,3.39,;6.58,4.93,;5.25,4.16,;2.42,-.6,;.93,-1,;.53,-2.49,)|
OC(=O)c1ccc(nc1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-9.05,-23.69,;-9.04,-22.15,;-10.38,-21.38,;-7.71,-21.38,;-7.71,-19.84,;-6.38,-19.07,;-5.04,-19.84,;-5.04,-21.38,;-6.38,-22.15,;-3.71,-19.07,;-3.31,-17.58,;-1.82,-17.98,;-1.82,-16.44,;-2.22,-19.47,;-.49,-17.21,;-.49,-15.67,;.84,-14.9,;2.18,-15.67,;3.51,-14.9,;4.84,-15.67,;6.18,-14.9,;6.18,-13.36,;7.64,-12.88,;8.55,-14.13,;7.64,-15.37,;8.04,-16.86,;6.95,-17.95,;5.46,-17.55,;7.35,-19.44,;8.84,-19.84,;9.93,-18.75,;9.53,-17.26,;10.62,-16.17,;5.09,-12.27,;4.69,-10.78,;3.6,-11.87,;2.18,-17.21,;.84,-17.98,;.84,-19.52,)|
Cc1nc(ccc1C(O)=O)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-6.5,-6.07,;-6.5,-4.53,;-5.16,-3.76,;-5.16,-2.22,;-6.5,-1.45,;-7.83,-2.22,;-7.88,-3.79,;-9.21,-4.56,;-9.21,-6.1,;-10.55,-3.79,;-3.83,-1.45,;-2.34,-1.85,;-1.94,-.36,;-1.94,1.18,;-3.43,.04,;-.61,.41,;-.61,1.95,;.72,2.72,;2.06,1.95,;3.39,2.72,;4.72,1.95,;6.06,2.72,;6.06,4.26,;7.52,4.74,;8.43,3.49,;7.52,2.25,;7.92,.76,;9.41,.36,;10.5,1.45,;9.81,-1.13,;8.72,-2.22,;7.23,-1.82,;6.83,-.33,;5.35,.07,;4.97,5.35,;4.57,6.84,;3.48,5.75,;2.06,.41,;.72,-.36,;.72,-1.9,)|
Cc1cc(cnc1N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |(-6.5,.09,;-6.5,-1.45,;-7.83,-2.22,;-7.88,-3.79,;-6.5,-4.53,;-5.16,-3.76,;-5.16,-2.22,;-3.83,-1.45,;-2.34,-1.85,;-1.94,-.36,;-1.94,1.18,;-3.43,.04,;-.61,.41,;-.61,1.95,;.72,2.72,;2.06,1.95,;3.39,2.72,;4.72,1.95,;6.06,2.72,;6.06,4.26,;7.52,4.74,;8.43,3.49,;7.52,2.25,;7.92,.76,;9.41,.36,;10.5,1.45,;9.81,-1.13,;8.72,-2.22,;7.23,-1.82,;6.83,-.33,;5.35,.07,;4.97,5.35,;4.57,6.84,;3.48,5.75,;2.06,.41,;.72,-.36,;.72,-1.9,;-9.21,-4.56,;-9.21,-6.1,;-10.55,-3.79,)|
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)cc2Cl)c(F)c1 |(-9.21,-6.1,;-9.21,-4.56,;-10.55,-3.79,;-7.88,-3.79,;-6.5,-4.53,;-5.16,-3.76,;-5.16,-2.22,;-3.83,-1.45,;-2.34,-1.85,;-1.94,-.36,;-1.94,1.18,;-3.43,.04,;-.61,.41,;-.61,1.95,;.72,2.72,;2.06,1.95,;3.39,2.72,;4.72,1.95,;6.06,2.72,;6.06,4.26,;7.52,4.74,;8.43,3.49,;7.52,2.25,;7.92,.76,;9.41,.36,;10.5,1.45,;9.81,-1.13,;8.72,-2.22,;7.23,-1.82,;6.83,-.33,;5.35,.07,;4.97,5.35,;4.57,6.84,;3.48,5.75,;2.06,.41,;.72,-.36,;.72,-1.9,;-6.5,-1.45,;-6.5,.09,;-7.83,-2.22,)|
OC(=O)c1ccc(nc1C(F)(F)F)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-10.53,-3.37,;-9.21,-4.16,;-9.22,-5.7,;-7.86,-3.4,;-7.83,-1.83,;-6.5,-1.06,;-5.16,-1.83,;-5.16,-3.37,;-6.51,-4.19,;-6.49,-5.73,;-6.47,-7.27,;-4.95,-5.71,;-8.03,-5.74,;-3.83,-1.06,;-2.34,-1.46,;-1.94,.03,;-1.94,1.57,;-3.43,.42,;-.61,.8,;-.61,2.34,;.72,3.11,;2.06,2.34,;3.39,3.11,;4.72,2.34,;6.06,3.11,;6.06,4.65,;7.52,5.12,;8.43,3.88,;7.52,2.63,;7.92,1.14,;9.41,.74,;10.5,1.83,;9.81,-.74,;8.72,-1.83,;7.23,-1.43,;6.83,.05,;5.35,.45,;4.97,5.73,;4.57,7.22,;3.48,6.13,;2.06,.8,;.72,.03,;.72,-1.51,)|
Cc1cc(ncc1C(O)=O)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-9.16,-1.45,;-7.83,-2.22,;-6.5,-1.45,;-5.16,-2.22,;-5.16,-3.76,;-6.5,-4.53,;-7.88,-3.79,;-9.21,-4.56,;-10.55,-3.79,;-9.21,-6.1,;-3.83,-1.45,;-2.34,-1.85,;-1.94,-.36,;-1.94,1.18,;-3.43,.04,;-.61,.41,;-.61,1.95,;.72,2.72,;2.06,1.95,;3.39,2.72,;4.72,1.95,;6.06,2.72,;6.06,4.26,;7.52,4.74,;8.43,3.49,;7.52,2.25,;7.92,.76,;9.41,.36,;10.5,1.45,;9.81,-1.13,;8.72,-2.22,;7.23,-1.82,;6.83,-.33,;5.35,.07,;4.97,5.35,;4.57,6.84,;3.48,5.75,;2.06,.41,;.72,-.36,;.72,-1.9,)|
COc1cccc(OC)c1-c1noc(C2CC2)c1COc1ccc(c(Cl)c1)C1(O)CN(C1)c1ncc(cc1F)C(O)=O |(3.59,-2.62,;4.92,-1.85,;6.26,-2.62,;6.26,-4.16,;7.59,-4.93,;8.92,-4.16,;8.92,-2.62,;10.26,-1.85,;11.59,-2.62,;7.59,-1.85,;7.59,-.31,;8.84,.59,;8.36,2.06,;6.82,2.06,;6.05,3.39,;6.05,4.93,;4.72,4.16,;6.34,.59,;5.01,-.18,;3.68,.59,;2.14,.59,;1.37,1.93,;-.17,1.93,;-.94,.59,;-.17,-.74,;-.94,-2.07,;1.37,-.74,;-2.48,.59,;-2.48,2.13,;-3.57,-.5,;-4.66,.59,;-3.57,1.68,;-6.2,.59,;-6.97,-.74,;-8.51,-.74,;-9.28,.59,;-8.51,1.93,;-6.97,1.93,;-6.2,3.26,;-10.82,.59,;-11.59,-.74,;-11.59,1.93,)|
Cc1cc(Cl)c(-c2noc(C3CC3)c2COc2ccc(c(Cl)c2)C2(O)CN(C2)c2ncc(cc2F)C(O)=O)c(Cl)c1 |(8.26,-5.7,;8.26,-4.16,;6.92,-3.39,;6.92,-1.85,;5.59,-1.08,;8.26,-1.08,;8.26,.46,;9.5,1.36,;9.03,2.83,;7.49,2.83,;6.72,4.16,;6.72,5.7,;5.38,4.93,;7.01,1.36,;5.68,.59,;4.34,1.36,;2.8,1.36,;2.03,2.7,;.49,2.7,;-.28,1.36,;.49,.03,;-.28,-1.3,;2.03,.03,;-1.82,1.36,;-1.82,2.9,;-2.91,.27,;-3.99,1.36,;-2.91,2.45,;-5.53,1.36,;-6.3,.03,;-7.84,.03,;-8.61,1.36,;-7.84,2.7,;-6.3,2.7,;-5.53,4.03,;-10.15,1.36,;-10.92,.03,;-10.92,2.7,;9.59,-1.85,;10.92,-1.08,;9.59,-3.39,)|
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(onc3-c3c(Cl)cncc3Cl)C3CC3)cc2Cl)c(F)c1 |(-10.92,-.74,;-10.15,.59,;-10.92,1.93,;-8.61,.59,;-7.84,-.74,;-6.3,-.74,;-5.53,.59,;-3.99,.59,;-2.91,-.5,;-1.82,.59,;-1.82,2.13,;-2.91,1.68,;-.28,.59,;.49,1.93,;2.03,1.93,;2.8,.59,;4.34,.59,;5.68,-.18,;7.01,.59,;7.49,2.06,;9.03,2.06,;9.5,.59,;8.26,-.31,;8.26,-1.85,;6.92,-2.62,;5.59,-1.85,;6.92,-4.16,;8.26,-4.93,;9.59,-4.16,;9.59,-2.62,;10.92,-1.85,;6.72,3.39,;6.72,4.93,;5.38,4.16,;2.03,-.74,;.49,-.74,;-.28,-2.07,;-6.3,1.93,;-5.53,3.26,;-7.84,1.93,)|
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(cnn3-c3c(Cl)cccc3Cl)C3CC3)cc2Cl)c(F)c1 |(-10.92,-.74,;-10.15,.59,;-10.92,1.93,;-8.61,.59,;-7.84,-.74,;-6.3,-.74,;-5.53,.59,;-3.99,.59,;-2.91,-.5,;-1.82,.59,;-1.82,2.13,;-2.91,1.68,;-.28,.59,;.49,1.93,;2.03,1.93,;2.8,.59,;4.34,.59,;5.68,-.18,;7.01,.59,;7.49,2.06,;9.03,2.06,;9.5,.59,;8.26,-.31,;8.26,-1.85,;6.92,-2.62,;5.59,-1.85,;6.92,-4.16,;8.26,-4.93,;9.59,-4.16,;9.59,-2.62,;10.92,-1.85,;6.72,3.39,;6.72,4.93,;5.38,4.16,;2.03,-.74,;.49,-.74,;-.28,-2.07,;-6.3,1.93,;-5.53,3.26,;-7.84,1.93,)|
Cc1noc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)C1CC1)C(=O)C1CC1
CCc1noc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1C[C@](O)(C1)C(F)(F)F |r,wU:35.41,wD:35.44,(5.87,-6.36,;4.96,-5.12,;3.43,-5.28,;2.66,-6.62,;1.15,-6.3,;.99,-4.77,;2.4,-4.14,;-.35,-4,;-1.68,-4.78,;-3.01,-4.01,;-3.02,-2.47,;-1.68,-1.7,;-.35,-2.46,;-1.69,-.16,;-3.27,.75,;-3.12,2.51,;-1.88,1.71,;-2.16,3.14,;-3.54,3.76,;-3.47,5.43,;-3.02,4.3,;-5.04,3.1,;-4.84,1.69,;-3.55,2.22,;-4.65,1.16,;-4.33,-.15,;-2.79,-.16,;-2.31,1.3,;-5.33,-1.32,;-5.61,-2.83,;-6.78,-1.83,;-.36,.62,;-.36,2.16,;.98,-.15,;1.38,-1.64,;2.87,-1.24,;4.41,-1.19,;2.47,.25,;3.61,-2.59,;4.34,-3.94,;2.25,-3.33,;4.96,-1.85,)|
CCc1noc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
O[C@]1(CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1)C(F)(F)F |r,wU:1.0,wD:1.46,(4.26,-1.19,;2.72,-1.24,;1.23,-1.64,;.83,-.15,;2.31,.25,;-.51,.62,;-.51,2.16,;-1.84,-.16,;-3.42,.75,;-3.27,2.51,;-2.03,1.71,;-2.32,3.14,;-3.69,3.76,;-3.62,5.43,;-3.17,4.3,;-5.2,3.1,;-5,1.69,;-3.7,2.22,;-4.8,1.16,;-4.48,-.15,;-2.94,-.16,;-2.46,1.3,;-5.49,-1.32,;-5.77,-2.83,;-6.94,-1.83,;-1.84,-1.7,;-3.17,-2.47,;-3.17,-4.01,;-1.83,-4.78,;-.5,-4,;-.5,-2.46,;.84,-4.77,;2.24,-4.14,;3.28,-5.28,;2.51,-6.62,;1,-6.3,;4.81,-5.12,;6.05,-4.21,;6.22,-5.74,;3.45,-2.59,;4.19,-3.94,;2.1,-3.33,;4.81,-1.85,)|
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
CC(C)(O)c1coc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
CC(C)(O)c1coc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(C1)C(F)F |(-5.55,-5.64,;-6.45,-4.39,;-7.99,-4.55,;-7.08,-5.8,;-5.83,-2.98,;-6.6,-1.65,;-5.57,-.51,;-4.16,-1.13,;-4.32,-2.66,;-2.83,-.36,;-1.49,-1.13,;-.16,-.36,;-.16,1.18,;-1.49,1.95,;-2.83,1.18,;-1.49,3.49,;-.16,4.26,;1.17,3.49,;1.17,1.95,;2.51,1.18,;3.84,1.95,;3.84,3.49,;2.51,4.26,;2.71,3.49,;1.94,2.15,;5.17,1.18,;5.34,-.35,;6.84,-.67,;7.61,.66,;6.58,1.8,;7.47,-2.08,;7.31,-3.61,;8.71,-2.99,;-2.83,4.26,;-2.83,5.8,;-4.16,3.49,;-5.65,3.89,;-6.05,2.4,;-4.56,2,;-7.38,1.63,;-8.71,2.4,;-7.38,.09,)|
CC(C)(O)c1coc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1
CC(C)(O)c1noc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1C[C@](O)(C1)C(F)(F)F |r,wU:37.43,wD:37.46,(4.68,-6.79,;4.52,-5.26,;6.05,-5.1,;4.35,-3.73,;2.98,-5.43,;2.22,-6.76,;.71,-6.45,;.55,-4.92,;1.95,-4.29,;-.79,-4.15,;-2.12,-4.92,;-3.46,-4.15,;-3.46,-2.61,;-2.13,-1.84,;-.79,-2.61,;-2.13,-.3,;-3.72,.61,;-3.57,2.37,;-2.32,1.57,;-2.61,2.99,;-3.99,3.61,;-3.92,5.29,;-3.46,4.15,;-5.49,2.96,;-5.29,1.55,;-3.99,2.07,;-5.09,1.02,;-4.78,-.29,;-3.24,-.3,;-2.75,1.16,;-5.78,-1.46,;-6.06,-2.98,;-7.23,-1.98,;-.8,.47,;-.8,2.01,;.54,-.3,;.94,-1.78,;2.42,-1.38,;3.16,-2.73,;2.02,.11,;3.96,-1.34,;5.5,-1.29,;4.01,-2.88,;3.92,.2,)|
O[C@]1(CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc(o1)C1CC1)C(F)(F)F |r,wU:1.46,wD:1.0,(-6.81,.39,;-5.72,1.47,;-4.28,.95,;-3.75,2.4,;-5.2,2.92,;-2.42,3.17,;-2.42,4.71,;-1.08,2.4,;.25,3.17,;1.58,2.4,;1.58,.86,;2.92,.09,;4.25,.86,;4.25,2.4,;2.92,3.17,;3.74,1.95,;2.78,2.54,;5.59,.09,;5.75,-1.45,;7.25,-1.77,;8.02,-.43,;6.99,.71,;7.88,-3.17,;7.72,-4.71,;9.13,-4.08,;-1.08,.86,;.25,.09,;.25,-1.45,;-1.08,-2.22,;-2.42,-1.45,;-2.42,.09,;-3.75,-2.22,;-3.91,-3.76,;-5.42,-4.08,;-6.19,-2.74,;-5.16,-1.6,;-7.72,-2.58,;-8.96,-1.68,;-9.13,-3.21,;-7.26,1.47,;-8.03,2.81,;-8.03,.14,;-8.8,1.47,)|
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc(o1)C1CC1
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc(o1)C1CC1
FC(F)C1CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc(o1)C1CC1
CCCc1ncc(o1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
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CCOc1nnc(o1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC1
CCOc1nnc(o1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1
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FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(on1)C1CC1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(on1)C1CC1
FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(CC2CC2)no1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(CC2CC2)no1
O=C(C1CCC1)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(CC2CC2)no1
O=C(C1CCC1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(CC2CC2)no1
FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(CC2CC2)no1
FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(no1)C1CC1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(no1)C1CC1
O=C(C1CCC1)N(CC12CCC(CC1)(CC2)c1nc(CC2CC2)no1)c1cccc(c1)-c1nc(no1)C1CC1
COCc1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(C1)C(F)F |(-9.64,-3.67,;-8.11,-3.83,;-7.2,-2.58,;-5.67,-2.74,;-4.64,-1.6,;-3.23,-2.22,;-3.4,-3.76,;-4.9,-4.08,;-1.9,-1.45,;-.57,-2.22,;.77,-1.45,;.77,.09,;-.57,.86,;-1.9,.09,;-.57,2.4,;.77,3.17,;2.1,2.4,;2.1,.86,;3.43,.09,;4.77,.86,;4.77,2.4,;3.43,3.17,;3.64,2.4,;2.87,1.06,;6.1,.09,;6.26,-1.45,;7.77,-1.77,;8.54,-.43,;7.51,.71,;8.39,-3.17,;8.23,-4.71,;9.64,-4.08,;-1.9,3.17,;-1.9,4.71,;-3.23,2.4,;-4.72,2.79,;-5.12,1.31,;-3.63,.91,;-6.45,.54,;-7.79,1.31,;-6.45,-1,)|
COCc1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1
Cn1nc(cc1C1CC1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
Cn1nc(cc1C1CC1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1
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CCn1cc(oc1=O)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
COCc1coc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nnc(o1)C1CC1
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CCOCC1)c1cccc(c1)-c1nc(no1)C1CC1
CC(C)(C)CNC(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
CN(C)[C@H]1CCN(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1 |r|
CC1(CC1)NC(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(cs1)C1CC1)c1cccc(c1)-c1coc(n1)C1CC1
FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(cs1)C1CC1)c1cccc(c1)-c1coc(n1)C1CC1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(cs1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC1(F)CC(C1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1noc(n1)C1CC1
FC(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(C)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
OC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(=O)NC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(F)(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC1(COC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1noc(n1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
FC(F)(F)C1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CC(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CC1(COC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
FC1(F)CC1c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
Cn1nc(cc1C1CC1)C12CCC(CN(C(=O)C3CC(F)(F)C3)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
Cn1nc(cc1C12CCC(CN(C(=O)C3CC(F)(F)C3)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2)C1CC1
Cn1cc(nc1C1CC1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
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FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)c1cccc(c1)-c1nnc(o1)C1CC1
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)c1cccc(c1)-c1nnc(o1)C1CC1
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC(F)C1CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1 |(-7.89,-1.32,;-7.89,.22,;-9.22,.99,;-6.55,.99,;-6.16,2.48,;-4.67,2.08,;-5.07,.59,;-3.33,2.85,;-3.33,4.39,;-2,2.08,;-.67,2.85,;.67,2.08,;.67,.54,;2,-.23,;3.33,.54,;3.33,2.08,;2,2.85,;2.82,1.38,;1.6,2.08,;4.67,-.23,;4.83,-1.76,;6.34,-2.08,;7.11,-.75,;6.07,.4,;8.64,-.59,;10.04,-1.21,;9.88,.32,;-2,.54,;-.67,-.23,;-.67,-1.77,;-2,-2.54,;-3.33,-1.77,;-3.33,-.23,;-4.67,-2.54,;-6.07,-1.91,;-7.11,-3.06,;-6.34,-4.39,;-4.83,-4.07,;-8.64,-2.9,;-9.88,-1.99,;-10.04,-3.52,)|
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C1(CC1)C#N)c1cccc(c1)-c1nc(no1)C1CC1 |(-3.72,-4.29,;-2.77,-3.08,;-4.28,-2.78,;-1.37,-3.72,;-.72,-2.32,;-2.12,-1.68,;.6,-1.84,;2.29,-2.11,;.8,-.27,;2.11,.55,;1.66,2.31,;3.06,1.66,;2.62,2.93,;1.24,3.55,;-.26,2.89,;.25,1.79,;1.31,5.22,;1.77,4.09,;1.23,2.01,;2.56,1.23,;2.56,-.31,;1.22,-1.07,;-.11,-.29,;-.1,1.25,;1.21,-2.61,;1.73,-4.06,;2.73,-2.89,;.13,-3.89,;-.87,-5.06,;-.55,.6,;-.55,2.14,;-1.88,2.92,;-3.21,2.16,;-3.22,.62,;-1.89,-.16,;-4.56,-.15,;-4.73,-1.68,;-6.24,-1.99,;-7,-.65,;-5.96,.49,;-6.87,-3.39,;-6.72,-4.93,;-8.12,-4.29,)|
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FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnn(c1)C1COC1
Cc1csc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnn(c1)-c1cccnc1
CC1(COC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nnc(o3)C3CC3)(CC1)CC2
FC(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nnc(o3)C3CC3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nnc(o3)C3CC3)(CC1)CC2
FC(F)n1cc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)Cn1cc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)Cn1cc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cn1nc(cc1C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C(F)F)(CC1)CC2)C1CC1
Cn1nc(cc1C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C(C)(C)C)(CC1)CC2)C1CC1
Cn1nc(cc1C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C3(C)CC3)(CC1)CC2)C1CC1
Cn1nc(cc1C1CC1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C(F)F)(CC1)CC2
CC(C)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(C2CC2)n(C)n1)C(=O)C12CC(F)(C1)C2
Cn1nc(cc1C1CC1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C3CC3)(CC1)CC2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C3(C)CC3)(CC1)CC2
CC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3noc(n3)C3(C)CC3)(CC1)CC2
CC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)COC1)C(=O)C12CC(F)(C1)C2
FC(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1cnc(nc1)C(F)(F)F)C(=O)C12CC(F)(C1)C2 |(-9.77,-4.14,;-8.87,-2.9,;-9.49,-1.49,;-7.34,-3.06,;-6.31,-1.91,;-4.9,-2.54,;-5.06,-4.07,;-6.57,-4.39,;-3.56,-1.77,;-2.23,-2.54,;-.9,-1.77,;-.9,-.23,;-2.23,.54,;-3.56,-.23,;-2.23,2.08,;-.9,2.85,;.44,2.08,;.44,.54,;1.77,-.23,;3.1,.54,;2.3,1.84,;1.21,.75,;3.1,2.08,;1.77,2.85,;4.44,-.23,;4.44,-1.77,;5.77,-2.54,;7.22,-1.85,;7.1,-.23,;5.77,.54,;8.55,-2.62,;9.88,-3.4,;7.78,-3.95,;9.33,-1.29,;-3.56,2.85,;-3.56,4.39,;-4.9,2.08,;-6.39,2.48,;-6.78,.99,;-8.12,.22,;-5.3,.59,;-5.43,1.15,)|
CC1(CC1)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CC(C)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
FC(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CC(F)(F)c1nc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CO[C@H]1CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)c1cccc(c1)-c1nc(no1)C1CC1 |r,wD:2.1,(-9.28,.99,;-7.95,.22,;-6.62,.99,;-5.13,.59,;-4.73,2.08,;-6.22,2.48,;-3.4,2.85,;-3.4,4.39,;-2.06,2.08,;-.73,2.85,;.6,2.08,;.6,.54,;1.94,-.23,;3.27,.54,;3.27,2.08,;1.94,2.85,;2.82,1.29,;1.46,2.08,;4.61,-.23,;6.01,.4,;7.04,-.75,;6.27,-2.08,;4.77,-1.76,;8.57,-.59,;9.48,-1.83,;9.2,.82,;10.11,-.43,;-2.06,.54,;-.73,-.23,;-.73,-1.77,;-2.06,-2.54,;-3.4,-1.77,;-3.4,-.23,;-4.73,-2.54,;-6.14,-1.91,;-7.17,-3.06,;-6.4,-4.39,;-4.89,-4.07,;-8.7,-2.9,;-9.95,-1.99,;-10.11,-3.52,)|
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C3CN(C3)C(=O)C(F)(F)F)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnn(c3)S(=O)(=O)C3CC3)(CC1)CC2
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1 |(-7.89,.22,;-6.55,.99,;-7.89,1.76,;-6.16,2.48,;-4.67,2.08,;-5.07,.59,;-3.33,2.85,;-3.33,4.39,;-2,2.08,;-.67,2.85,;.67,2.08,;.67,.54,;2,-.23,;3.33,.54,;2.88,1.37,;1.52,2.15,;3.33,2.08,;2,2.85,;4.67,-.23,;6.07,.4,;7.11,-.75,;6.34,-2.08,;4.83,-1.76,;8.64,-.59,;10.04,-1.21,;9.88,.32,;-2,.54,;-.67,-.23,;-.67,-1.77,;-2,-2.54,;-3.33,-1.77,;-3.33,-.23,;-4.67,-2.54,;-6.07,-1.91,;-7.11,-3.06,;-6.34,-4.39,;-4.83,-4.07,;-8.64,-2.9,;-9.88,-1.99,;-10.04,-3.52,)|
FC(F)C1CC(C1)C(=O)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1 |(-9.22,.99,;-7.89,.22,;-7.89,-1.32,;-6.55,.99,;-6.16,2.48,;-4.67,2.08,;-5.07,.59,;-3.33,2.85,;-3.33,4.39,;-2,2.08,;-.67,2.85,;.67,2.08,;.67,.54,;2,-.23,;3.33,.54,;2.88,1.37,;1.52,2.15,;3.33,2.08,;2,2.85,;4.67,-.23,;6.07,.4,;7.11,-.75,;6.34,-2.08,;4.83,-1.76,;8.64,-.59,;10.04,-1.21,;9.88,.32,;-2,.54,;-.67,-.23,;-.67,-1.77,;-2,-2.54,;-3.33,-1.77,;-3.33,-.23,;-4.67,-2.54,;-6.07,-1.91,;-7.11,-3.06,;-6.34,-4.39,;-4.83,-4.07,;-8.64,-2.9,;-9.88,-1.99,;-10.04,-3.52,)|
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(on1)C1CC1 |(-7.89,.22,;-6.55,.99,;-7.89,1.76,;-6.16,2.48,;-4.67,2.08,;-5.07,.59,;-3.33,2.85,;-3.33,4.39,;-2,2.08,;-.67,2.85,;.67,2.08,;.67,.54,;2,-.23,;3.33,.54,;2.88,1.37,;1.52,2.15,;3.33,2.08,;2,2.85,;4.67,-.23,;6.07,.4,;7.11,-.75,;6.34,-2.08,;4.83,-1.76,;8.64,-.59,;10.04,-1.21,;9.88,.32,;-2,.54,;-.67,-.23,;-.67,-1.77,;-2,-2.54,;-3.33,-1.77,;-3.33,-.23,;-4.67,-2.54,;-6.07,-1.91,;-7.11,-3.06,;-6.34,-4.39,;-4.83,-4.07,;-8.64,-2.9,;-9.88,-1.99,;-10.04,-3.52,)|
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FC1(F)CCC(C1)C(=O)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(on1)C1CC1 |(-8.44,2.33,;-7.11,1.56,;-8.44,.79,;-6.34,.23,;-4.83,.55,;-4.67,2.08,;-6.07,2.71,;-3.33,2.85,;-3.33,4.39,;-2,2.08,;-.67,2.85,;.67,2.08,;.67,.54,;2,-.23,;3.33,.54,;2.88,1.37,;1.52,2.15,;3.33,2.08,;2,2.85,;4.67,-.23,;6.07,.4,;7.11,-.75,;6.34,-2.08,;4.83,-1.76,;8.64,-.59,;10.04,-1.21,;9.88,.32,;-2,.54,;-.67,-.23,;-.67,-1.77,;-2,-2.54,;-3.33,-1.77,;-3.33,-.23,;-4.67,-2.54,;-6.07,-1.91,;-7.11,-3.06,;-6.34,-4.39,;-4.83,-4.07,;-8.64,-2.9,;-9.88,-1.99,;-10.04,-3.52,)|
COc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(C)no1)C(=O)C12CC(F)(C1)C2
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C(C)(C)C#N)C(=O)C1CCC1 |(-5.51,7.52,;-5.5,5.98,;-4.16,5.22,;-4.16,3.68,;-2.82,2.91,;-1.49,3.69,;-1.5,5.23,;-2.83,5.99,;-2.81,1.37,;-4.14,.6,;-4.13,-.94,;-2.79,-1.71,;-1.46,-.93,;-1.47,.61,;.18,-1.66,;2.01,-.94,;.75,.79,;2.15,.14,;1.71,1.41,;.33,2.03,;-1.17,1.37,;-.66,.27,;.4,3.7,;.86,2.57,;.32,.49,;1.65,-.29,;1.65,-1.83,;.31,-2.59,;-1.02,-1.81,;-1.01,-.27,;.07,-4.74,;-1.06,-6,;1.29,-6.05,;.38,-6.45,;.63,-8.1,;-.38,-3.44,;-1.76,-4.46,;1.22,-4,;2.55,-3.23,;3.32,-4.56,;2.45,-4.87,)|
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C(C)(C)C#N)C(=O)C1CCCC1 |(-7.32,-4.35,;-5.95,-3.64,;-5.88,-2.1,;-4.51,-1.39,;-4.45,.15,;-5.74,.98,;-7.11,.27,;-7.18,-1.27,;-3.08,.86,;-3.01,2.39,;-1.64,3.1,;-.35,2.28,;-.72,.43,;-1.78,.03,;.86,-.26,;2.07,.6,;1.77,2.34,;3.17,1.69,;2.73,2.96,;1.35,3.58,;-.15,2.92,;.05,1.51,;1.42,5.25,;1.88,4.12,;1.34,2.04,;2.67,1.26,;2.66,-.28,;1.33,-1.04,;-0,-.26,;-.3,.97,;1.46,-2.98,;.18,-4.04,;3.33,-3.09,;1.08,-4.6,;.73,-6.1,;.81,-1.98,;2.38,-2.68,;-.71,-2.19,;-1.43,-3.54,;-2.95,-3.27,;-3.16,-1.74,;-1.77,-1.07,)|
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1nc(C)no1)C(=O)C12CC(F)(C1)C2 |(-9.32,-2.31,;-7.99,-1.54,;-6.65,-2.31,;-5.32,-1.54,;-3.99,-2.31,;-3.99,-3.85,;-5.32,-4.62,;-6.65,-3.85,;-2.65,-1.54,;-1.32,-2.31,;.02,-1.54,;.02,,;-1.32,.77,;-2.65,,;-1.32,2.31,;.02,3.08,;1.35,2.31,;1.35,.77,;2.68,,;4.02,.77,;3.56,1.6,;2.2,2.38,;4.02,2.31,;2.68,3.08,;5.35,,;6.76,.63,;7.79,-.52,;9.32,-.36,;7.02,-1.85,;5.51,-1.53,;-2.65,3.08,;-2.65,4.62,;-3.99,2.31,;-5.47,2.71,;-5.87,1.22,;-7.2,.45,;-4.38,.82,;-4.57,1.34,)|
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(C)s1)C(=O)C1CCCC1
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(C)s1)C(=O)C1CC(F)(F)C1
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(C)s1)C(=O)C1CCC(F)(F)C1
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(C)s1)C(=O)C1C[C@](O)(C1)C(F)(F)F |r,wU:34.42,wD:34.39,(-8.55,-2.31,;-7.22,-1.54,;-5.89,-2.31,;-4.55,-1.54,;-3.22,-2.31,;-3.22,-3.85,;-4.55,-4.62,;-5.89,-3.85,;-1.89,-1.54,;-.55,-2.31,;.78,-1.54,;.78,,;-.55,.77,;-1.89,,;-.55,2.31,;.78,3.08,;2.12,2.31,;2.12,.77,;3.45,,;4.78,.77,;4.78,2.31,;3.45,3.08,;4.38,1.69,;3.02,2.47,;6.12,,;7.52,.63,;8.55,-.52,;7.78,-1.85,;8.41,-3.26,;6.28,-1.53,;-1.89,3.08,;-1.89,4.62,;-3.22,2.31,;-3.62,.82,;-5.11,1.22,;-6.44,.45,;-4.71,2.71,;-6.44,1.99,;-6.44,3.53,;-7.77,1.22,;-7.77,2.76,)|
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(ccn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
COc1nccc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
COc1nccc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC1
COc1nccc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1
Cc1cc(cnc1F)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
FC(F)(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)c1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)c1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(=O)Nc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2OCOc2c1
CS(=O)(=O)Nc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
NS(=O)(=O)c1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cccc(c1)C#N
FC(F)(F)Oc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1cc(ccc1F)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2[nH]c(=O)oc2c1
FC(F)(F)c1cc(cn2ncnc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1cc(cn2ncnc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2c(C)cc(cn2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1cc(cn2ncnc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(C)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(NS(=O)(=O)C2CC2)cc1
CS(=O)(=O)Nc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc(nc1)C1CC1
CS(=O)(=O)Nc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COCc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COCc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2o1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc2nc(sc2c1)C1CC1
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2ncsc2c1
Cc1nc2ncc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(cc1)C1(CC1)C#N
FC(F)(F)c1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CCOc1ccc(nn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2OC(F)(F)Oc2c1
CCc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(Cl)c(Cl)c1
Fc1ccc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccn2ccnc2c1
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)(F)c1ccnc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cccc(n1)C#N
Fc1ccc(nc1-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2)C(F)(F)F
Fc1ccc(cc1C#N)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1ccc(nn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cc1C#N)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(cn1)C#N
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccn2ncnc2c1
FC(F)C(F)(F)Oc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1ccnc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cc1OC)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(cc1)C#N
Cc1nc2cc(ccc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cn1ncc2cc(ccc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2cc(ccc2o1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2ncc(C#N)n2n1
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccn2cnnc2c1
FC(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cccn2ncnc12
Cc1cnc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc(C#N)c2ncccc12
Cc1c(C)c2ncnn2cc1-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cn1ncc2cc(C#N)c(nc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc2cc(cnn12)C#N
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(Cl)nn2cccc12
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc2ccsc2cc1C#N
Fc1cc(cn2ccnc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc2cccnn12
Cc1cnn2c(cnc2c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1cn2cc(c(C)cc2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2c(cc(cn2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2)C(F)(F)F
Cc1cn2cc(cc(C)c2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2nncn2c1
Cc1nc2ccc(cn2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1ccc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cc(Br)cn2ncnc12
Cc1cc(nc2scnc12)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc2CCOCc2cc1C#N
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cnc2cc(Cl)cnn12
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1cccn2ccnc12
Oc1ccc2cc(ccc2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccc2NC(=O)Cc2c1
CCOc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC(F)Oc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CC(=O)Nc1cn2nc(ccc2n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
FC1(F)CC(C1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1ccnc(OC2CC2)n1
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)C(=O)C12CC(F)(C1)C2
CS(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C1(CC1)C#N)C(=O)C12CC(F)(C1)C2 |(-5.67,9.13,;-4.87,7.74,;-3.33,7.58,;-3.01,6.07,;-1.68,5.3,;-1.68,3.76,;-3.01,2.99,;-4.35,3.76,;-4.35,5.3,;-5.49,6.33,;-3.01,1.45,;-4.35,.68,;-4.35,-.86,;-3.01,-1.63,;-1.68,-.86,;-1.68,.68,;-.13,-.75,;-.47,-2.58,;-1.83,-3.78,;-2,-2.25,;-2.92,-3.38,;-2.74,-4.88,;-1.41,-5.83,;-.61,-5.24,;-4.22,-5.68,;-3.48,-4.71,;-1.42,-4.1,;-1.43,-2.56,;-.11,-1.77,;1.23,-2.53,;1.25,-4.07,;-.08,-4.85,;2.56,-1.75,;3.54,-.56,;2.02,-.31,;3.18,-3.29,;3.75,-4.72,;1.13,.21,;1.86,1.9,;2.01,-1.32,;1.7,-3,;3.61,-1.21,;5.31,-1.17,;2.85,-.09,;4.03,-2.49,)|
Cc1nc2ccc(cc2o1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C1(CC1)C#N)C(=O)C12CC(F)(C1)C2 |(-5.67,9.13,;-4.87,7.75,;-3.34,7.59,;-3.02,6.08,;-1.69,5.31,;-1.69,3.77,;-3.02,3,;-4.35,3.77,;-4.35,5.31,;-5.5,6.34,;-3.02,1.46,;-4.35,.69,;-4.35,-.85,;-3.02,-1.62,;-1.69,-.85,;-1.69,.69,;-.16,-.74,;-.49,-2.61,;-1.84,-3.77,;-2,-2.24,;-2.92,-3.37,;-2.75,-4.87,;-1.42,-5.82,;-.62,-5.24,;-4.22,-5.67,;-3.49,-4.7,;-1.42,-4.09,;-1.44,-2.55,;-.11,-1.76,;1.23,-2.52,;1.24,-4.06,;-.08,-4.84,;2.55,-1.74,;3.53,-.55,;2.01,-.3,;3.17,-3.31,;3.74,-4.74,;1.1,.2,;1.84,1.85,;2.01,-1.31,;1.69,-2.99,;3.6,-1.2,;5.3,-1.21,;2.84,-.08,;4.02,-2.48,)|
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C1(CC1)C#N)C(=O)C12CC(F)(C1)C2 |(-7.69,6.13,;-7.29,4.64,;-5.8,4.24,;-5.4,2.75,;-3.91,2.36,;-2.82,3.45,;-3.22,4.93,;-4.71,5.33,;-3.51,.87,;-4.6,-.22,;-4.2,-1.71,;-2.71,-2.1,;-1.62,-1.01,;-2.02,.47,;-.17,-1.59,;1.29,-.62,;.73,1.15,;2.12,.5,;1.68,1.77,;.3,2.4,;-1.2,1.74,;-.69,.64,;.38,4.07,;.83,2.94,;.3,.86,;1.63,.08,;1.62,-1.46,;.28,-2.22,;-1.05,-1.45,;-1.04,.09,;.27,-3.76,;.79,-5.21,;1.79,-4.04,;-.66,-5.24,;-1.75,-6.5,;-.36,-3.23,;-1.77,-4.31,;1.75,-3.3,;1.17,-4.85,;2.31,-2.45,;3.24,-1.22,;1.09,-1.87,;3.27,-3.54,)|
COc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1ccc(cc1)C1(CC1)C#N)C(=O)C12CC(F)(C1)C2 |(-4.22,7.7,;-5.3,6.61,;-4.9,5.12,;-5.99,4.03,;-5.59,2.54,;-4.1,2.15,;-3.02,3.24,;-3.42,4.72,;-3.7,.66,;-4.79,-.43,;-4.39,-1.92,;-2.9,-2.31,;-1.81,-1.22,;-2.21,.26,;.11,-1.6,;1.93,-.75,;.53,.94,;1.93,.29,;1.49,1.56,;.11,2.18,;-1.39,1.53,;-.88,.43,;.18,3.86,;.64,2.73,;.11,.64,;1.44,-.13,;1.43,-1.67,;.09,-2.44,;-1.24,-1.66,;-1.23,-.12,;.08,-3.98,;.6,-5.43,;1.6,-4.25,;-.59,-5.58,;-1.79,-6.73,;-.39,-3.24,;-1.66,-4.47,;1.56,-3.51,;1.09,-4.89,;2.15,-2.68,;3.11,-1.47,;.94,-2.06,;3.07,-3.8,)|
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CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(C)(=O)=O)nc3)(CC1)CC2
Cc1nc2ncc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(NS(C)(=O)=O)nc3)(CC1)CC2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
COc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CCOc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ncc(OC(F)F)cn3)(CC1)CC2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(=O)(=O)C(F)(F)F)cc3)(CC1)CC2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cn3)(CC1)CC2
CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
COc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc4nc(C)sc4c3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(=O)(=O)C4CC4)cc3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(cc3)C(F)(F)F)(CC1)CC2
CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
COc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc4OC(F)(F)Oc4c3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(nc3)C(F)(F)F)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc4nc(C)sc4c3)(CC1)CC2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(=O)(=O)C(F)(F)F)cc3)(CC1)CC2
COCc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
COCc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CC(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ncc(C)cn3)(CC1)CC2
CCc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CCOc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)C)C(=O)C12CC(F)(C1)C2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(=O)(=O)C4CC4)cc3)(CC1)CC2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)CC1)C(=O)C12CC(F)(C1)C2
COc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)CC1)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)CC1)C(=O)C12CC(F)(C1)C2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
CC1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(C2CC2)n(C)n1)C(=O)C12CC(F)(C1)C2
COc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(C2CC2)n(C)n1)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(C2CC2)n(C)n1)C(=O)C12CC(F)(C1)C2
Cn1nc(cc1C1CC1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc4NC(Sc4c3)C3CC3)(CC1)CC2
Cn1nc(cc1C1CC1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc4[nH]c(=O)oc4c3)(CC1)CC2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(nn1C)C1CC1)C(=O)C12CC(F)(C1)C2
COc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(nn1C)C1CC1)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cc(nn1C)C1CC1)C(=O)C12CC(F)(C1)C2
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)N1CCOCC1
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Cc1nc2ccc(cc2s1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cn1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
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CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)C)C(=O)C12CC(F)(C1)C2
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CC(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc4nc(C)sc4c3)(CC1)CC2
CC(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
CC(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
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CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
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CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(cc3)C(F)(F)F)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc4[nH]c(=O)oc4c3)(CC1)CC2
CC(C)S(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
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CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ncc(OC(F)F)cn3)(CC1)CC2
CCc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
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CCc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
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CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc4nc(sc4c3)C3CC3)(CC1)CC2
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CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
FC(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
FC(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
FC(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
FC(F)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
FC(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(F)F)C(=O)C12CC(F)(C1)C2
CS(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(F)F)C(=O)C12CC(F)(C1)C2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(F)F)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(F)F)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
Cc1nc2ccc(cc2s1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
CCOc1ccc(cc1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cn1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3ccc4[nH]c(=O)oc4c3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3cnc4nc(sc4c3)C3CC3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
CCOc1ccc(cc1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cncc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
Cc1nc2ccc(cc2s1)-c1cncc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CS(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CCOc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
FC(F)(F)c1ccc(nc1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C3CC3)(CC1)CC2
FC(F)(F)c1ccc(nc1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc(nc3)C(F)(F)F)(CC1)CC2
CCOc1ccc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
FC(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
COc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CCc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CCc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CCOc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
FC(F)Oc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
COc1cnc(nc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cn1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
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CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C1(C)COC1
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C(C)(C)C)C(=O)C1C[C@@](C)(O)C1 |r,wU:38.43,wD:38.44,(-10.09,-2.31,;-10.09,-3.85,;-8.75,-4.62,;-7.42,-3.85,;-7.42,-2.31,;-6.08,-1.54,;-4.75,-2.31,;-4.75,-3.85,;-6.08,-4.62,;-3.42,-1.54,;-2.08,-2.31,;-.75,-1.54,;-.75,,;-2.08,.77,;-3.42,,;-2.08,2.31,;-.75,3.08,;.58,2.31,;.58,.77,;1.92,,;3.25,.77,;3.25,2.31,;1.92,3.08,;2.73,1.68,;1.45,2.42,;4.59,,;5.99,.63,;7.02,-.52,;6.25,-1.85,;4.75,-1.53,;8.55,-.36,;9.46,-1.6,;9.18,1.05,;10.09,-.2,;-3.42,3.08,;-3.42,4.62,;-4.75,2.31,;-6.24,2.71,;-6.64,1.22,;-7.86,2.16,;-7.97,.45,;-5.15,.82,)|
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CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C1(C)COC1
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C1C[C@@H](C1)OC |r,wD:38.45,(-10.09,-2.31,;-10.09,-3.85,;-8.75,-4.62,;-7.42,-3.85,;-7.42,-2.31,;-6.08,-1.54,;-4.75,-2.31,;-4.75,-3.85,;-6.08,-4.62,;-3.42,-1.54,;-2.08,-2.31,;-.75,-1.54,;-.75,,;-2.08,.77,;-3.42,,;-2.08,2.31,;-.75,3.08,;.58,2.31,;.58,.77,;1.92,,;3.25,.77,;3.25,2.31,;1.92,3.08,;2.81,1.73,;1.61,2.42,;4.59,,;4.75,-1.53,;6.25,-1.85,;7.02,-.52,;5.99,.63,;8.55,-.36,;9.46,-1.6,;9.18,1.05,;10.09,-.2,;-3.42,3.08,;-3.42,4.62,;-4.75,2.31,;-5.15,.82,;-6.64,1.22,;-6.24,2.71,;-7.97,.45,;-9.3,1.22,)|
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CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C3C[C@@](C)(O)C3)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2 |r,wU:19.20,wD:19.21,(8.79,-1.6,;7.89,-.36,;8.51,1.05,;9.42,-.2,;6.36,-.52,;5.33,.63,;3.92,,;4.08,-1.53,;5.59,-1.85,;2.58,.77,;1.25,,;-.08,.77,;-.08,2.31,;-1.42,3.08,;-2.75,2.31,;-4.08,3.08,;-4.08,4.62,;-5.42,2.31,;-6.91,2.71,;-7.3,1.22,;-8.64,1.99,;-8.64,.45,;-5.82,.82,;-2.75,.77,;-1.42,,;-1.42,-1.54,;-2.75,-2.31,;-4.08,-1.54,;-4.08,,;-5.42,-2.31,;-6.75,-1.54,;-8.09,-2.31,;-8.09,-3.85,;-9.42,-4.62,;-10.6,-3.63,;-10.33,-2.11,;-12.05,-4.16,;-6.75,-4.62,;-5.42,-3.85,;1.25,3.08,;2.58,2.31,;.94,2.42,;2.14,1.73,)|
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CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(C)COC1)C(=O)C1C[C@](O)(C1)C(F)(F)F |r,wU:39.45,wD:39.48,(5.42,-8.28,;4.1,-7.49,;4.13,-5.95,;2.8,-5.16,;2.83,-3.62,;1.51,-2.83,;.16,-3.58,;.14,-5.12,;1.46,-5.91,;-1.16,-2.79,;-2.51,-3.54,;-3.83,-2.74,;-3.8,-1.21,;-2.46,-.46,;-1.14,-1.25,;-2.43,1.08,;-3.96,2,;-3.91,3.8,;-2.67,3,;-2.95,4.42,;-4.33,5.04,;-4.26,6.71,;-3.81,5.58,;-5.83,4.38,;-5.63,2.97,;-4.34,3.5,;-3.1,2.59,;-3.58,1.13,;-5.12,1.13,;-5.44,2.45,;-6.12,-.04,;-7.29,.96,;-4.95,-1.04,;-5.95,-2.21,;-7.12,-1.21,;-1.09,1.83,;-1.06,3.37,;.23,1.04,;.61,-.45,;2.1,-.08,;2.82,-1.44,;1.73,1.42,;3.64,-.06,;5.18,-.04,;3.66,-1.6,;3.63,1.48,)|
FC(F)Oc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(CC1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CS(=O)(=O)Nc1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(CC1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(CC1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C1(CC1)C(F)(F)F)C(=O)C12CC(F)(C1)C2
FC(F)(F)C1(CC1)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc4nc(sc4c3)C3CC3)(CC1)CC2
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3ccc(OC(F)F)cc3)(CC1)CC2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(F)F)C(=O)C12CC(F)(C1)C2
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3cnc4nc(sc4c3)C3CC3)(CC1)CC2
CCOc1ccc(cc1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3ccc(OC(F)F)cc3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3cnc4nc(sc4c3)C3CC3)(CC1)CC2
CCOc1ccc(cn1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
Cc1nc2ccc(cc2s1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
COc1ncc(cn1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3cnc(nc3)C3CC3)(CC1)CC2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3ccc4[nH]c(=O)oc4c3)(CC1)CC2
CCOc1cnc(nc1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CCc1cnc(nc1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3ccc(OC(F)F)cn3)(CC1)CC2
Cc1nc2ccc(cc2s1)-c1ccnc(c1)N(CC12CCC(CC1)(CC2)c1cc(nn1C)C1CC1)C(=O)C12CC(F)(C1)C2
Cn1nc(cc1C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cc(ccn3)-c3ccc(NS(C)(=O)=O)cc3)(CC1)CC2)C1CC1
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C12CC(F)(C1)C2
Fc1ccc2oc(nc2c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1
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Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nnc(o1)C1CC1)C(=O)C1CCC(F)(F)C1
Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)C(=O)C1CC(F)(F)C1 |(-10.64,-3.08,;-9.1,-3.08,;-8.2,-4.33,;-6.73,-3.85,;-5.4,-4.62,;-4.07,-3.85,;-4.07,-2.31,;-5.4,-1.54,;-6.73,-2.31,;-8.2,-1.83,;-2.73,-1.54,;-1.4,-2.31,;-.06,-1.54,;-.06,,;-1.4,.77,;-2.73,,;-1.4,2.31,;-.06,3.08,;1.27,2.31,;1.27,.77,;2.6,,;3.94,.77,;3.5,1.82,;2.27,2.53,;3.94,2.31,;2.6,3.08,;5.27,0,;6.67,.63,;7.7,-.52,;6.93,-1.85,;5.43,-1.53,;9.24,-.35,;10.64,-.98,;10.48,.55,;-2.73,3.08,;-2.73,4.62,;-4.07,2.31,;-5.55,2.71,;-5.95,1.22,;-7.28,.45,;-7.28,1.99,;-4.46,.82,)|
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Cc1nc2ccc(cc2s1)-c1cccc(c1)N(CC12CCC(CC1)(OC2)c1nc(no1)C1CC1)C(=O)C1CCC(F)(F)C1 |(-9.72,-3,;-8.18,-3,;-7.28,-4.24,;-5.81,-3.77,;-4.48,-4.54,;-3.15,-3.77,;-3.15,-2.23,;-4.48,-1.46,;-5.81,-2.23,;-7.28,-1.75,;-1.81,-1.46,;-.48,-2.23,;.85,-1.46,;.85,.08,;-.48,.85,;-1.81,.08,;-.48,2.39,;.85,3.16,;2.19,2.39,;2.19,.85,;3.52,.08,;4.86,.85,;4.42,1.9,;3.19,2.61,;4.86,2.39,;3.52,3.16,;6.18,.09,;6.35,-1.45,;7.85,-1.77,;8.62,-.43,;7.59,.71,;8.48,-3.17,;8.32,-4.7,;9.72,-4.08,;-1.81,3.16,;-1.81,4.7,;-3.15,2.39,;-3.31,.86,;-4.81,.54,;-5.58,1.88,;-7.07,2.27,;-6.92,1.11,;-4.55,3.02,)|
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NCC3(CC3)S(C)(=O)=O)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)N3CC(O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NC3CCS(=O)(=O)CC3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(O)c1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)F)C(=O)N1CCN(CC(F)(F)F)CC1
CC(C)(O)c1ccc(cc1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)F)C(=O)NCC(F)(F)CO
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NCC3(CO)CCOCC3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NCC3(O)CC3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NCCN3CCOCC3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)NCCC3(O)CCCC3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2
COC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:10:14:16.17:20.21.19,(7.87,-2.84,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
NC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:9:13:15.16:19.20.18,(6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
OC(=O)CNC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:13:17:19.20:23.24.22,(5.2,-7.46,;6.53,-6.69,;7.87,-7.46,;6.53,-5.15,;5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
OS(=O)(=O)CCNC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:15:19:21.22:25.26.24,(11.3,-1.51,;10.53,-2.84,;11.87,-3.61,;9.76,-4.18,;9.2,-2.07,;7.87,-2.84,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
CS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:13:17:19.20:23.24.22,(7.1,-4.18,;7.87,-2.84,;8.64,-1.51,;9.2,-3.61,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
COc1cc2nc(sc2cc1C(O)=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:6:14:16.17:20.21.19,(5.2,1.78,;5.2,.24,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
COc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |TLB:8:11:13.14:17.18.16,(3.86,2.55,;2.53,1.78,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:13:17:19.20:23.24.22,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;3.86,2.55,;4.63,1.21,;3.09,3.88,;5.2,3.32,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
OC(=O)c1cc(c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(F)(F)F |TLB:8:12:14.15:18.19.17,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,;2.53,1.78,;2.53,3.32,;4.07,1.78,;.99,1.78,)|
Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |TLB:7:10:12.13:16.17.15,(2.53,1.78,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,)|
OC(=O)c1cc(C2CC2)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:11:15:20.21.22:17.18,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.1,-3.64,;.56,-3.64,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;7.01,2.5,;5.81,1.54,;5.81,,;7.01,-.96,;8.51,-.62,;9.18,.77,;8.51,2.16,;10.72,.77,;11.49,2.1,;10.72,3.44,;13.03,2.1,;13.93,.86,;15.4,1.33,;15.4,2.87,;13.93,3.35,;13.46,4.81,;14.49,5.96,;16,5.64,;14.01,7.42,;12.51,7.74,;11.48,6.6,;11.95,5.13,;10.92,3.99,;13.46,-.61,;13.78,-2.11,;12.31,-1.64,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1ccccc1)C1CC1 |TLB:9:13:15.16:19.20.18|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |TLB:9:13:15.16:19.20.18|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1OC(F)F)C1CC1 |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-8.09,-5.67,;-7.06,-4.52,;-7.61,-7.13,;-8.64,-8.28,;-10.15,-7.96,;-10.62,-6.49,;-12.13,-6.17,;-13.16,-7.32,;-12.69,-8.78,;-14.67,-7,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(F)cccc1F)C1CC1 |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
COc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(F)cccc1F)C1CC1)C(O)=O |TLB:8:11:13.14:17.18.16,(3.86,2.55,;2.53,1.78,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,)|
COc1cc2nc(sc2cc1C(O)=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(F)cccc1F)C1CC1 |TLB:6:14:16.17:20.21.19,(5.2,1.78,;5.2,.24,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(noc1C1CC1)C1CCC2(CC2)CC1 |TLB:9:13:15.16:19.20.18|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |TLB:9:13:15.16:19.20.18|
COc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1)C(O)=O |TLB:8:11:13.14:17.18.16|
COc1cc2nc(sc2cc1C(O)=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |TLB:6:14:16.17:20.21.19|
Cc1onc(c1C(=O)OC1CC2CCC(C1)N2c1nc2c(F)cc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |TLB:17:16:12.13:9.10.15,(-9.59,.07,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.17,-2.64,;-7.63,-2.64,;-6.86,-3.97,;-6.86,-1.3,;-5.32,-1.3,;-4.65,-2.69,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;2.53,1.78,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CCC1 |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-10.29,1.45,;-8.92,2.15,;-8.22,.77,)|
CC(C)(C)c1onc(c1C(=O)OC1CC2CCC(C1)N2c1nc2c(F)cc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |TLB:20:19:15.16:12.13.18,(-9.12,1.54,;-9.59,.07,;-11.06,.55,;-8.13,-.4,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.17,-2.64,;-7.63,-2.64,;-6.86,-3.97,;-6.86,-1.3,;-5.32,-1.3,;-4.65,-2.69,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;2.53,1.78,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,)|
CC1(CC1)c1onc(c1C(=O)OC1CC2CCC(C1)N2c1nc2c(F)cc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |TLB:20:19:15.16:12.13.18,(-8.07,-.14,;-9.59,.07,;-9.65,1.61,;-10.95,.8,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.17,-2.64,;-7.63,-2.64,;-6.86,-3.97,;-6.86,-1.3,;-5.32,-1.3,;-4.65,-2.69,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;2.53,1.78,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-3.88,;-11.54,-3.41,;-11.54,-1.87,;-10.07,-1.39,;-9.59,.07,;-8.07,-.14,;-9.65,1.61,;-10.95,.8,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:10:13:15.16:19.20.18,(1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;1.65,.13,;.14,-.19,;2.68,-1.01,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.1,6.1,;6.54,4.66,;7.31,3.33,;8.83,3.1,;9.96,4.15,;9.84,5.68,;8.57,6.55,;11.18,6.45,;12.51,5.68,;12.51,4.14,;13.85,6.45,;14.01,7.99,;15.51,8.31,;16.28,6.97,;15.25,5.83,;15.57,4.32,;14.43,3.29,;12.96,3.77,;14.75,1.78,;16.21,1.31,;17.36,2.34,;17.04,3.85,;18.18,4.88,;12.86,9.02,;11.36,9.34,;12.39,10.48,)|
OC(=O)c1noc2cc(ccc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:8:12:14.15:18.19.17,(.29,6.7,;-.74,5.55,;-2.25,5.87,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;5.2,1.3,;6.44,2.58,;4.91,2.36,;4.14,1.02,;4.71,-.41,;6.18,-.87,;7.45,0,;7.57,1.54,;8.79,-.77,;10.12,0,;10.12,1.54,;11.45,-.77,;11.61,-2.3,;13.12,-2.62,;13.89,-1.29,;12.86,-.14,;13.18,1.36,;14.64,1.84,;15.79,.81,;14.96,3.35,;13.82,4.38,;12.36,3.9,;12.03,2.39,;10.57,1.92,;10.47,-3.33,;9.99,-4.79,;8.96,-3.65,)|
CN1c2cc(ccc2C(=O)C1(F)F)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:4:13:15.16:19.20.18,(1.65,5.55,;2.13,4.09,;3.59,3.61,;4.92,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;1.22,2.84,;-.12,2.09,;-.12,3.6,;7.59,4.38,;7.1,6.1,;6.54,4.66,;7.31,3.33,;8.83,3.1,;9.96,4.15,;9.84,5.68,;8.57,6.55,;11.18,6.45,;12.51,5.68,;12.51,4.14,;13.85,6.45,;14.01,7.99,;15.51,8.31,;16.28,6.97,;15.25,5.83,;15.57,4.32,;14.43,3.29,;12.96,3.77,;14.75,1.78,;16.21,1.31,;17.36,2.34,;17.04,3.85,;18.18,4.88,;12.86,9.02,;11.36,9.34,;12.39,10.48,)|
Cn1c(nc2c(F)cc(cc12)C(O)=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:2:14:16.17:20.21.19,(-.74,1.41,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;2.53,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;5.2,.24,;6.53,-.53,;5.2,1.78,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:9:13:15.16:19.20.18,(5.2,-4.38,;5.2,-2.84,;6.53,-2.07,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-9.94,1.36,;-9.31,2.77,;-10.45,3.8,;-11.79,3.03,;-11.47,1.53,;-12.5,.38,;-14,.7,;-14.48,2.17,;-15.03,-.44,;-14.56,-1.91,;-13.05,-2.23,;-12.02,-1.08,;-10.51,-1.4,;-7.8,3.09,;-6.66,4.12,;-6.34,2.62,)|
Cn1c(nc2c(F)cc(cc12)C(O)=O)N1C2CCC1CC(C2)OC(=O)Cc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:2:14:16.17:20.21.19,(-.74,1.41,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;2.53,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;5.2,.24,;6.53,-.53,;5.2,1.78,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-9.94,1.36,;-9.31,2.77,;-10.45,3.8,;-11.79,3.03,;-11.47,1.53,;-12.5,.38,;-14,.7,;-14.48,2.17,;-15.03,-.44,;-14.56,-1.91,;-13.05,-2.23,;-12.02,-1.08,;-10.51,-1.4,;-7.8,3.09,;-6.66,4.12,;-6.34,2.62,)|
OC(=O)c1ccc(cc1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:6:9:11.12:15.16.14,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |TLB:6:7:9.10:13.14.12,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;.29,-.15,;1.06,-1.48,;-1.25,-.15,)|
OC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(Cl)c1 |TLB:6:7:12.13.14:9.10,(-5.8,.19,;-5.03,1.52,;-5.8,2.86,;-3.49,1.52,;-2.72,2.86,;-1.18,2.86,;-.41,1.52,;1.13,1.52,;1.57,3.25,;.36,2.29,;.36,.75,;1.57,-.21,;3.07,.14,;3.74,1.52,;3.07,2.91,;5.28,1.52,;6.05,2.86,;5.28,4.19,;7.59,2.86,;8.49,1.61,;9.96,2.09,;9.96,3.63,;8.49,4.1,;8.02,5.57,;9.05,6.71,;10.55,6.39,;8.57,8.18,;7.06,8.5,;6.03,7.35,;6.51,5.89,;5.48,4.74,;8.02,.15,;8.34,-1.36,;6.87,-.88,;-1.18,.19,;-.41,-1.14,;-2.72,.19,)|
OC(=O)c1ccc(cc1C(F)(F)F)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:6:13:15.16:19.20.18,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;.29,-.15,;-1.25,-.15,;-2.02,-1.48,;-2.79,-2.81,;-3.35,-.71,;-.68,-2.25,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(c1)C(F)(F)F |TLB:6:7:9.10:13.14.12,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,3.77,;11.42,3.29,;11.42,1.75,;9.96,1.28,;9.48,-.19,;7.98,-.51,;6.95,.64,;7.5,-1.97,;8.53,-3.12,;10.04,-2.8,;10.51,-1.33,;12.02,-1.01,;9.48,5.23,;8.34,6.26,;9.8,6.74,;.29,-.15,;-1.25,-.15,;1.06,-1.48,;1.83,-2.81,;-.27,-2.25,;2.4,-.71,)|
COc1cc(ccc1C(O)=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:4:11:13.14:17.18.16,(-1.25,-2.81,;-2.02,-1.48,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;-2.02,1.19,;-3.56,1.19,;-4.33,2.52,;-4.33,-.15,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
COc1cc(ccc1N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |TLB:7:8:10.11:14.15.13,(.29,-2.81,;1.06,-1.48,;.29,-.15,;-1.25,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;-3.56,1.19,;-4.33,2.52,;-4.33,-.15,)|
OC(=O)c1ccc(cc1F)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:6:10:12.13:16.17.15,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;.29,-.15,;-1.25,-.15,;-2.02,-1.48,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1cc(F)cc(c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:8:10:12.13:16.17.15,(-3.56,-1.48,;-2.02,-1.48,;-1.25,-2.81,;-1.25,-.15,;-2.02,1.19,;-1.25,2.52,;-2.02,3.86,;.29,2.52,;1.06,1.19,;.29,-.15,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2OC(F)F)C2CC2)c(F)c1 |TLB:6:7:9.10:13.14.12,(-4.33,-.15,;-3.56,1.19,;-4.33,2.52,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;7.98,5.55,;6.95,4.41,;7.5,7.02,;8.53,8.16,;10.04,7.84,;10.51,6.38,;12.02,6.06,;13.05,7.2,;12.57,8.67,;14.56,6.88,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;.29,-.15,;1.06,-1.48,;-1.25,-.15,)|
CS(=O)(=O)NC(=O)c1ccc(cc1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:10:13:15.16:19.20.18,(-5.87,-1.69,;-5.87,-.15,;-7.41,-.15,;-5.87,1.39,;-4.33,-.15,;-3.56,1.19,;-4.33,2.52,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
CCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:12:15:17.18:21.22.20,(-9.72,-1.48,;-8.18,-1.48,;-7.41,-.15,;-5.87,-.15,;-5.87,1.39,;-5.87,-1.69,;-4.33,-.15,;-3.56,1.19,;-4.33,2.52,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
CCCCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:14:17:19.20:23.24.22,(-12.03,-.15,;-10.49,-.15,;-9.72,-1.48,;-8.18,-1.48,;-7.41,-.15,;-5.87,-.15,;-5.87,1.39,;-5.87,-1.69,;-4.33,-.15,;-3.56,1.19,;-4.33,2.52,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
CC(C)S(=O)(=O)NC(=O)c1ccc(cc1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:12:15:17.18:21.22.20,(-8.18,-1.48,;-7.41,-.15,;-8.18,1.19,;-5.87,-.15,;-5.87,1.39,;-5.87,-1.69,;-4.33,-.15,;-3.56,1.19,;-4.33,2.52,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1C(=O)OC1CC2CCC(C1)N2c1ccc(cc1)C(=O)NS(=O)(=O)C1CC1 |TLB:27:26:22.23:19.20.25,(12.02,6.06,;10.51,6.38,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,5.23,;9.96,3.77,;11.42,3.29,;11.42,1.75,;9.96,1.28,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;9.05,2.52,;7.51,2.52,;6.74,3.86,;6.74,1.19,;5.2,1.19,;4.54,2.58,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;2.6,1.19,;1.06,1.19,;.29,-.15,;-1.25,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;-3.56,1.19,;-4.33,2.52,;-4.33,-.15,;-5.87,-.15,;-5.87,1.39,;-5.87,-1.69,;-7.41,-.15,;-8.74,-.92,;-8.74,.62,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1C(=O)OC1CC2CCC(C1)N2c1ccc(cc1)C(=O)NS(=O)(=O)CC1CC1 |TLB:27:26:22.23:19.20.25,(12.02,6.06,;10.51,6.38,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,5.23,;9.96,3.77,;11.42,3.29,;11.42,1.75,;9.96,1.28,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;9.05,2.52,;7.51,2.52,;6.74,3.86,;6.74,1.19,;5.2,1.19,;4.54,2.58,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;2.6,1.19,;1.06,1.19,;.29,-.15,;-1.25,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;-3.56,1.19,;-4.33,2.52,;-4.33,-.15,;-5.87,-.15,;-5.87,1.39,;-5.87,-1.69,;-7.41,-.15,;-8.18,-1.48,;-8.18,-3.02,;-9.51,-2.25,)|
CS(=O)(=O)NC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |TLB:10:11:13.14:17.18.16,(-7.41,2.52,;-5.87,2.52,;-5.87,4.06,;-5.87,.98,;-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;.29,-.15,;1.06,-1.48,;-1.25,-.15,)|
CS(=O)(=O)NC(=O)c1ccc(N2C3CCC2CC(C3)OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(Cl)c1 |TLB:10:11:13.14:17.18.16,(-7.41,2.52,;-5.87,2.52,;-5.87,4.06,;-5.87,.98,;-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,2.52,;.29,2.52,;1.06,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,;.29,-.15,;1.06,-1.48,;-1.25,-.15,)|
Oc1cc(ccc1C#N)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:3:9:11.12:15.16.14,(-2.02,-1.48,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;-2.02,1.19,;-3.56,1.19,;-5.1,1.19,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1ncc(cn1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:6:9:11.12:15.16.14,(-4.33,2.52,;-3.56,1.19,;-4.33,-.15,;-2.02,1.19,;-1.25,-.15,;.29,-.15,;1.06,1.19,;.29,2.52,;-1.25,2.52,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,2.52,;6.74,3.86,;9.05,2.52,;9.96,1.28,;11.42,1.75,;11.42,3.29,;9.96,3.77,;9.48,5.23,;10.51,6.38,;12.02,6.06,;10.04,7.84,;8.53,8.16,;7.5,7.02,;7.98,5.55,;6.95,4.41,;9.48,-.19,;9.8,-1.7,;8.34,-1.22,)|
OC(=O)c1cccc(c1)S(=O)(=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:9:12:14.15:18.19.17,(-2.79,5.19,;-3.56,3.86,;-5.1,3.86,;-2.79,2.52,;-3.56,1.19,;-2.79,-.15,;-1.25,-.15,;-.48,1.19,;-1.25,2.52,;1.06,1.19,;1.06,2.73,;1.06,-.35,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,-.15,;6.74,-1.48,;9.05,-.15,;9.96,1.1,;11.42,.62,;11.42,-.92,;9.96,-1.39,;9.48,-2.86,;7.98,-3.18,;6.95,-2.03,;7.5,-4.64,;8.53,-5.79,;10.04,-5.47,;10.51,-4,;12.02,-3.68,;9.48,2.56,;8.34,3.6,;9.8,4.07,)|
OC(=O)c1cc(F)cc(c1)S(=O)(=O)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:10:13:15.16:19.20.18,(-2.79,5.19,;-3.56,3.86,;-5.1,3.86,;-2.79,2.52,;-3.56,1.19,;-2.79,-.15,;-3.56,-1.48,;-1.25,-.15,;-.48,1.19,;-1.25,2.52,;1.06,1.19,;1.06,2.73,;1.06,-.35,;2.6,1.19,;3.03,2.92,;1.83,1.96,;1.83,.42,;3.03,-.54,;4.54,-.2,;5.2,1.19,;4.54,2.58,;6.74,1.19,;7.51,-.15,;6.74,-1.48,;9.05,-.15,;9.96,1.1,;11.42,.62,;11.42,-.92,;9.96,-1.39,;9.48,-2.86,;7.98,-3.18,;6.95,-2.03,;7.5,-4.64,;8.53,-5.79,;10.04,-5.47,;10.51,-4,;12.02,-3.68,;9.48,2.56,;8.34,3.6,;9.8,4.07,)|
OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |TLB:13:17:19.20:23.24.22|
COC12CCC(CC1)(CC2)c1noc(C2CC2)c1C(=O)OC1CC2CCC(C1)N2c1nc2c(OC(F)(F)F)cc(cc2s1)C(O)=O |TLB:29:28:24.25:21.22.27|
Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl)C(O)=O |TLB:7:10:12.13:16.17.15,(2.53,1.78,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-3.88,;-11.54,-3.41,;-11.54,-1.87,;-10.07,-1.39,;-9.59,.07,;-8.07,-.14,;-9.65,1.61,;-10.95,.8,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,)|
CCc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |TLB:8:11:13.14:17.18.16,(3.86,2.55,;2.53,1.78,;2.53,.24,;3.86,-.53,;3.86,-2.07,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,-2.64,;-6.86,-3.97,;-9.17,-2.64,;-10.07,-1.39,;-11.54,-1.87,;-11.54,-3.41,;-10.07,-3.88,;-9.59,-5.35,;-10.62,-6.49,;-12.13,-6.17,;-10.15,-7.96,;-8.64,-8.28,;-7.61,-7.13,;-8.09,-5.67,;-7.06,-4.52,;-9.59,.07,;-9.91,1.58,;-8.45,1.1,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,)|
Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1ccccc1C(F)(F)F)C1CC1)C(O)=O |TLB:7:10:12.13:16.17.15|
CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |TLB:15:19:21.22:25.26.24,(11.87,-3.61,;10.53,-2.84,;9.2,-3.61,;7.87,-2.84,;7.1,-4.18,;8.64,-1.51,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,1.28,;-11.54,.8,;-11.54,-.74,;-10.07,-1.22,;-9.59,-2.68,;-8.07,-2.47,;-9.65,-4.22,;-10.95,-3.4,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,)|
OCCN(CCO)CCOC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:18:22:24.25:28.29.27,(13.2,.24,;11.87,-.53,;11.87,-2.07,;10.53,-2.84,;10.53,-4.38,;11.87,-5.15,;11.87,-6.69,;9.2,-2.07,;7.87,-2.84,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
OCCN(CCO)C(=O)COC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |TLB:19:23:25.26:29.30.28,(14.53,-2.07,;13.2,-2.84,;11.87,-2.07,;10.53,-2.84,;10.53,-4.38,;11.87,-5.15,;11.87,-6.69,;9.2,-2.07,;9.2,-.53,;7.87,-2.84,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;2.53,1.78,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.15,-3.03,;-1.94,-2.07,;-1.94,-.53,;-3.15,.43,;-4.65,.08,;-5.32,-1.3,;-4.65,-2.69,;-6.86,-1.3,;-7.63,.03,;-6.86,1.36,;-9.17,.03,;-10.07,-1.22,;-11.54,-.74,;-11.54,.8,;-10.07,1.28,;-9.59,2.74,;-8.09,3.06,;-7.06,1.92,;-7.61,4.53,;-8.64,5.67,;-10.15,5.35,;-10.62,3.89,;-12.13,3.57,;-9.59,-2.68,;-8.45,-3.71,;-9.91,-4.19,)|
OC(=O)c1cnc(N2C(=O)CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc23)c(Cl)c1 |(8.74,.64,;7.41,-.13,;7.41,-1.67,;6.08,.64,;4.75,-.13,;3.41,.63,;3.41,2.18,;2.08,2.95,;2.08,4.49,;3.41,5.26,;.74,5.26,;-.59,4.49,;-.59,2.95,;-1.92,2.18,;-1.92,.64,;-3.25,-.13,;-4.6,.65,;-5.94,-.13,;-7.34,.49,;-8.38,-.65,;-7.6,-1.99,;-6.1,-1.68,;-4.96,-2.72,;-5.27,-4.22,;-6.72,-4.69,;-4.13,-5.26,;-2.63,-4.79,;-2.32,-3.29,;-3.46,-2.25,;-3.06,-.75,;-7.65,2.05,;-7.19,3.5,;-8.74,3.19,;-.58,-.13,;.75,.65,;.75,2.18,;4.75,2.95,;4.75,4.49,;6.08,2.18,)|
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(3.31,-11.16,;4.8,-10.76,;5.2,-9.28,;5.89,-11.85,;5.49,-13.35,;6.58,-14.43,;8.06,-14.03,;8.46,-12.54,;7.38,-11.45,;9.95,-12.14,;11.28,-12.91,;12.06,-11.55,;12.83,-10.22,;10.73,-10.78,;13.55,-11.16,;13.95,-9.67,;15.43,-9.27,;16.52,-10.36,;17.86,-9.59,;19.19,-10.36,;20.53,-9.59,;20.69,-8.06,;22.19,-7.75,;22.95,-9.08,;21.93,-10.21,;22.33,-11.7,;21.24,-12.79,;19.75,-12.39,;21.65,-14.28,;23.13,-14.67,;24.22,-13.58,;23.82,-12.1,;24.91,-11.01,;19.6,-6.97,;19.2,-5.48,;18.12,-6.57,;16.13,-11.84,;14.65,-12.25,;14.25,-13.74,)|
CNC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CN(C)C(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nnn[nH]1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C=O)cc1
CC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(N)=O
OC(=O)c1ccc(CNC(=O)c2cccc(c2)-c2ccccc2)cc1
OC(=O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
OC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(O)=O
COc1cc(ccc1C(C)(C)C)C(=O)NCc1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1cccc(c1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CC(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CCC(O)=O)cc1
Cc1cc(CNC(=O)c2ccc(cc2)C(C)(C)C)ccc1C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C(O)=O)c(F)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1Cl)C(O)=O
CC(NC(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O
COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CCOc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)Oc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CSc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
C[S+]([O-])c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)S(N)(=O)=O
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1Cl
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl
Cc1ccc(cc1C)C(=O)NCc1ccc(cc1)C(O)=O
COc1ccc(cc1OC)C(=O)NCc1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)C(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OCC(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C(O)=O)c(Cl)c1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(SC(F)(F)F)cc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
OC(=O)c1ccc2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |THB:8:12:14.15:17.18.19,20:18:12:14.15|
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(22.69,-5.59,;21.15,-5.58,;20.38,-4.25,;20.38,-6.92,;21.14,-8.25,;20.37,-9.58,;18.83,-9.57,;17.81,-10.71,;16.41,-10.08,;16.57,-8.55,;18.08,-8.23,;18.85,-6.91,;15.07,-10.84,;13.74,-10.07,;12.41,-10.84,;12.41,-12.38,;13.74,-13.15,;15.07,-12.38,;11.08,-13.16,;9.75,-12.39,;8.41,-13.16,;8.25,-14.7,;6.74,-15.02,;5.97,-13.69,;7,-12.54,;6.68,-11.03,;7.82,-10.01,;9.29,-10.48,;7.5,-8.5,;6.03,-8.03,;4.88,-9.07,;5.21,-10.57,;4.08,-11.61,;9.4,-15.73,;9.88,-17.18,;10.91,-16.04,)|
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1
COc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(O)=O |THB:8:11:13.14:16.17.18,19:17:11:13.14|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)F)C1CC1 |THB:9:13:15.16:18.19.20,21:19:13:15.16|
OC(=O)c1ccc2nc(sc2c1)N1CC[C@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wD:15.19,(23.74,-6.1,;22.2,-6.09,;21.44,-4.76,;21.43,-7.43,;22.2,-8.76,;21.42,-10.09,;19.89,-10.08,;18.86,-11.22,;17.46,-10.59,;17.62,-9.06,;19.13,-8.74,;19.9,-7.42,;16.13,-11.35,;15.35,-10.02,;13.85,-10.34,;13.69,-11.87,;15.1,-12.49,;12.36,-12.64,;11.02,-11.87,;9.69,-12.65,;9.53,-14.18,;8.02,-14.5,;7.25,-13.17,;8.28,-12.03,;7.95,-10.52,;6.49,-10.06,;5.35,-11.1,;6.16,-8.56,;7.3,-7.52,;8.77,-7.99,;9.1,-9.49,;10.56,-9.97,;10.67,-15.21,;11.15,-16.67,;12.18,-15.52,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |THB:21:19:15.16:13|
OC(=O)c1ccc2nc(sc2c1)N1CC(C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:9:13:15.16:18.19.20,21:19:13:15.16|
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1ccc2nc(sc2c1)N1CCCC(CC1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1c(F)cccc1F)C1CC1 |(22.87,-6.17,;21.33,-6.17,;20.56,-4.83,;20.55,-7.5,;21.32,-8.84,;20.54,-10.16,;19.01,-10.15,;17.99,-11.29,;16.59,-10.66,;16.75,-9.13,;18.25,-8.82,;19.02,-7.5,;15.25,-11.43,;13.92,-10.65,;12.59,-11.43,;12.59,-12.97,;13.92,-13.73,;15.25,-12.97,;11.26,-13.74,;9.93,-12.97,;8.59,-13.74,;8.43,-15.28,;6.92,-15.6,;6.15,-14.27,;7.18,-13.12,;6.85,-11.62,;8,-10.59,;9.46,-11.06,;7.67,-9.09,;6.21,-8.61,;5.06,-9.66,;5.39,-11.16,;4.26,-12.2,;9.57,-16.31,;10.05,-17.76,;11.08,-16.62,)|
Cc1cc(cc2sc(nc12)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(O)=O |THB:7:10:12.13:15.16.17,18:16:10:12.13|
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccc(Cl)c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Br)cc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(F)cc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc2OCCOc2c1
COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1NCc1ccccc1
COc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Cc1ccc2nc(\C=C\c3ccccc3)c(NCc3ccccc3)n2c1
Cc1ccc2nc(CCc3ccccc3)c(NCc3ccccc3)n2c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(cc1)-c1ccccc1
Cc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Cc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccc1
COc1ccc(CNc2c(nc3ccc(C)cn23)-c2cccs2)cc1
C[C@H](Nc1c(nc2ccc(C)cn12)-c1cccs1)c1ccccc1 |r|
C[C@@H](Nc1c(nc2ccc(C)cn12)-c1cccs1)c1ccccc1 |r|
Cc1ccc2nc(-c3cccs3)c(Cc3ccccc3)n2c1
Cc1ccc2nc(-c3cccs3)c(NCCCc3ccccc3)n2c1
Cc1ccc2nc(-c3cccs3)c(NCCc3ccccc3)n2c1
C(Nc1c(nc2ccc(cn12)-c1ccccc1)-c1cccs1)c1ccccc1
FC(F)(F)c1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Brc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
COc1ccc(CNc2c(nc3ccc(Cl)cn23)-c2cc(Cl)ccn2)cc1
CCc1ccn2c(NCc3ccccc3)c(nc2c1)-c1cccs1
Cc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
C(Nc1c(nc2ccccn12)-c1cccs1)c1ccccc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cc(Cl)ccn1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccc(Cl)n1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccn1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cccnc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccncc1
Cc1ccc2nc(-c3cccn3C)c(NCc3ccccc3)n2c1
Cc1ccc2nc(-c3ccoc3)c(NCc3ccccc3)n2c1
Cc1ccc2nc(-c3ccsc3)c(NCc3ccccc3)n2c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(F)c(Cl)c1
Cc1csc(n1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Cc1ccc2nc(-c3ccco3)c(NCc3ccccc3)n2c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)cn1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1cnccn1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)c(Cl)c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccccc1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc2ccccc2c1
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccccc1C
Cc1ccc(CNc2c(nc3ccc(C)cn23)-c2cccs2)cc1
Cc1ccn2c(NCCCCc3ccccc3)c(nc2c1)-c1cccs1
COc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
Clc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
CNc1ccc2cc(ccc2c1)C(=O)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)c1cccc(\C=C\C(=O)OC)c1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OCC |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC1NC(=O)NC1=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)NC1CC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)N1CC[C@H](O)C1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)O[C@H]1CCOC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])CC(C)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCc1cc(O)no1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(N)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCNC(N)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNS(=O)(=O)c1ccccc1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(C)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OC1CCCCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])Cc5[nH]ncc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NS(C)(=O)=O |r|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCn1oc(=O)[nH]c1=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)O[C@@H]1CCOC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OCc1cccs1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCc1nn[nH]n1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(S)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCNC(=O)N1CC[C@H](O)C1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(N)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCNS(=O)(=O)c1ccccc1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCNS(C)(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNS(=O)(=O)C1CC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNS(C)(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)c1ccccn1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OCc1ccccc1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OC1CCC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OC(C)C |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])CC5(CC5)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])CC(F)(F)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)OC |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(F)ccc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(Cl)cc3n2C)CC1 |r|
CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(Cl)cc3n2C)CC1 |r|
Cc1ccc2nc([C@H](CC3CCN(CC3)C(=O)C3CCCC3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Cc1ccc2nc([C@H](CC3CCNCC3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3n2C)CC1 |r|
CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3n2C)CC1 |r|
CC(C)CN1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(F)ccc3n2C)CC1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O |r|
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O |r|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)NCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl |r|
Clc1ccc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1 |r|
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc34)cc2Cl)cc1 |r|
COc1c(cccc1C(C)(C)C)C(=O)Nc1ccc(CC(O)=O)cc1
OC(=O)Cc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(CC(O)=O)cc1
OC(=O)Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(CC(O)=O)c1
COc1cc(ccc1C(C)(C)C)C(=O)Nc1ccc(CC(O)=O)cc1
Cc1cc(CC(O)=O)ccc1NC(=O)c1ccc(cc1)C(C)(C)C
OC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(CCCC(O)=O)cc1
CC(C)(C)c1cccc(c1)C(=O)Nc1ccc(CC(O)=O)cc1
CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(O)=O)cc2)c(O)c1
COc1cc(ccc1C(=O)Nc1ccc(CC(O)=O)cc1)C(C)(C)C
COc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)ccc1CC(O)=O
Cc1cc(NC(=O)c2ccc(cc2)C(C)(C)C)ccc1CC(O)=O
OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(Cl)cc(Cl)c2)cc1
OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2ccccc2)cc1
OC(=O)Cc1ccc(NC(=O)c2cccc3ccccc23)cc1
CC(C)(C)c1ccc(cc1)C(=O)N(Cc1ccccc1)c1ccc(CC(O)=O)cc1
CN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(CC(O)=O)cc1
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1CC(O)=O
COc1ccc(cc1C(=O)Nc1ccc(CC(O)=O)cc1)-c1ccccc1
COc1c(cccc1-c1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1
CC(C(O)=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
OC(=O)c1ccc(nc1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(4.66,-13.58,;5.99,-14.35,;5.99,-15.89,;7.33,-13.58,;7.34,-12.04,;8.67,-11.27,;10,-12.05,;10,-13.58,;8.67,-14.35,;11.34,-11.28,;11.74,-9.79,;13.23,-10.19,;14.56,-10.96,;12.83,-11.69,;14.57,-9.42,;15.9,-10.19,;17.24,-9.42,;17.24,-7.87,;18.57,-7.1,;19.9,-7.86,;21.23,-7.09,;21.39,-5.55,;22.89,-5.23,;23.67,-6.56,;22.64,-7.71,;22.97,-9.21,;21.82,-10.24,;20.36,-9.77,;22.15,-11.74,;23.62,-12.21,;24.76,-11.17,;24.43,-9.67,;25.56,-8.63,;20.24,-4.53,;19.76,-3.07,;18.73,-4.22,;15.9,-7.11,;14.57,-7.88,;13.24,-7.11,)|
OC(=O)c1cnc(N2CC(O)(C2)c2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)cc2Cl)c(F)c1 |(6.23,-27.28,;7.56,-28.05,;7.56,-29.59,;8.9,-27.27,;10.24,-28.05,;11.57,-27.28,;11.58,-25.74,;12.91,-24.98,;13.31,-23.49,;14.81,-23.89,;16.13,-24.65,;14.4,-25.38,;16.14,-23.12,;17.48,-23.89,;18.81,-23.12,;18.81,-21.57,;20.14,-20.79,;21.47,-21.56,;22.8,-20.78,;22.96,-19.25,;24.46,-18.92,;25.24,-20.25,;24.21,-21.4,;24.54,-22.9,;23.39,-23.94,;21.93,-23.46,;23.72,-25.44,;25.19,-25.91,;26.33,-24.87,;26,-23.37,;27.14,-22.33,;21.81,-18.23,;21.33,-16.76,;20.3,-17.91,;17.47,-20.8,;16.14,-21.57,;14.81,-20.8,;10.24,-24.97,;10.25,-23.43,;8.91,-25.73,)|
Cc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)-n2cc3ccc(cc3n2)C(O)=O)cc1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Cc1cc(Cc2cc(on2)-c2ccc(Br)cc2)cc(C)c1OC(C)(C)C(O)=O
Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2-c2ccc(F)cc2)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(OC3CCCCC3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Cc1ccc2nc([C@H](Cc3ccc(Cl)cc3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2CCN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Cc1ccc2nc([C@H](Cc3ccc(cc3)C#N)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
CCN(CC)C(=O)c1ccc(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)cc1 |r|
CC(C)NC(=O)c1ccc(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)cc1 |r|
CC(C)S(=O)(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(C)ccc3n2C)CC1 |r|
CC(C)Cn1c(nc2ccc(C)cc12)[C@H](CC1CCN(CC1)C(=O)C(C)C)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
CC(C)C(=O)N1CCC(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r|
CC(C)NC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2CC(=O)N(CC2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Cc1ccc2nc([C@H](Cc3ccc(cc3)C(N)=O)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Cc1ccc2nc([C@H](Cc3ccccc3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.6,-3.46,;24.75,-4.49,;26.25,-4.16,;27.04,-5.48,;26,-6.65,;24.61,-6.02,;23.28,-6.79,;21.94,-6.02,;20.62,-6.81,;19.25,-6.04,;17.93,-6.82,;16.6,-6.05,;17.94,-8.35,;16.62,-9.12,;15.28,-8.35,;13.95,-9.14,;13.95,-10.69,;12.6,-11.45,;11.26,-10.69,;11.26,-9.15,;12.6,-8.37,;9.94,-8.38,;8.61,-9.15,;9.94,-6.84,;19.28,-9.12,;19.28,-10.65,;20.62,-8.35,;26.34,-8.15,;25.2,-9.17,;23.73,-8.69,;25.52,-10.68,;26.99,-11.15,;28.13,-10.11,;27.81,-8.61,;28.94,-7.57,)|
OC(=O)c1ccc(cc1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.13,(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO |r|
[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](COC3=O)Oc3ccccc3OC)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO |r|
[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](COC3=O)Oc3ccc(cc3)[N+]([O-])=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO |r|
[H][C@@]12CC[C@@]3(C)[C@H](C\C=C4/[C@H](COC4=O)Oc4ccc(cc4OC)[N+]([O-])=O)C(=C)CC[C@]3([H])[C@]1(C)COC(C)(C)O2 |r|
c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5
CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O
CC(=O)NCCN(Cc1ccccc1)C(=O)c1c2COc3ccc(Br)cc3-c2nn1C
Cn1nc(C(=O)N(CCNc2cc(ccc2F)C(O)=O)Cc2cccc(F)c2)c2COc3ccc(F)cc3-c12
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(cc-21)C1CC1
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(C=C)cc-21
CC(=O)NCCN(CC1CCCCC1)C(=O)c1nn(C)c-2c1COc1ccc(Cl)cc-21
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(I)cc-21
CC(=O)NCCN(Cc1ccccn1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(Cl)cc-21
CC(C)n1nc(C(=O)N(CCNC(C)=O)Cc2ccccc2)c2COc3ccc(Br)cc3-c12
Cn1nc(C(=O)N(CCN)Cc2ccccc2)c2COc3ccccc3-c12
CC(=O)NCCN(Cc1nn(C)c-2c1COc1ccccc-21)Cc1ccccc1
CC(=O)NCCN(Cc1ccc(F)cc1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
CC(=O)NCCN(Cc1cccc(F)c1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
CC(=O)NCCN(Cc1ccccc1F)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
CN(CCNC(C)=O)C(=O)c1nn(C)c-2c1COc1ccccc-21
CC(=O)NCCNC(=O)c1nn(C)c-2c1COc1ccccc-21
CC(N(CCNC(C)=O)C(=O)c1nn(C)c-2c1COc1ccc(Cl)cc-21)c1ccccc1
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccc(Br)cc-21
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(F)cc(cc2s1)C(O)=O |r,TLB:31:30:2.3:6.7.8|
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1COc1ccccc-21
Cn1nc(C(=O)N(CC(=O)Nc2cc(ccc2F)C(O)=O)Cc2cccc(F)c2)c2COc3ccc(F)cc3-c12
CC(=O)NCCN(Cc1ccccc1)C(=O)c1n[nH]c-2c1COc1ccc(Br)cc-21
CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c-2c1C(C)(C)Oc1ccc(Br)cc-21
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
CCC(C)c1ccc2OCc3c(nn(C)c3-c2c1)C(=O)N(CCNC(C)=O)Cc1ccccc1
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OCC)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C(C(C)=O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]45O[C@]4(CC[C@]35C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(C=C[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,c:13,t:11|
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2CC[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 |r,c:12|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C\C=C\C(C)=O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12C[C@@H](O)[C@@]3(C)[C@@]([H])([C@@H](O)[C@H](O)C4=C(CC[C@]34C)[C@H](C)C[C@H](O)C(=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:13|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)CC(OC)OC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C[C@@H](O)C4=C([C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)[C@H](C[C@]34C)OC)[C@@]1(C)CCC(=O)C2(C)C |r,c:11|
[H][C@@]12O[C@@H](O[C@]1([H])[C@@]1([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]1(C)[C@@]1(C)CCC([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)=C21)C(C)C |r,t:42|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)C(C)(C)C(OC)OC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@]12C[C@@]3(C)C(C[C@H](OC)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:29|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@@H]5OC(C)(C)O[C@H]5C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)C(=O)C(C)C)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(CCC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)=C)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1 |r,c:12|
[H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@H](O)C(C)(C)O |r,t:7,9|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OCC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O |r,c:12|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C(=O)C=C4[C@](O)(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CC(=O)C=C2C |r,c:36,t:11|
[H][C@]1(C[C@@H](C)[C@@]2(CC[C@@]3(C)C2=C[C@H](O)[C@@]2([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]32C)O1)[C@H](O)C(C)=C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)CC(=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)O |r,c:28|
[H][C@@]1(CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)[C@H](C)CC[C@@H](O)C(C)(C)O |r,t:7,9|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C(=O)C=C4[C@]5(CC[C@]34C)OC(=O)C[C@H]5C)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]1(OC1(C)C)[C@]1([H])C[C@@H](C)C2=C3C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]4(C)[C@@]3(C)C[C@]2([H])O1 |r,c:12|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:6,27|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)OCCCC)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12C[C@@H](O)[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:12|
[H][C@]12C[C@@H](C)C3=C4C=C[C@@]5([H])[C@@]6(C)CCC(=O)C(C)(C)[C@]6([H])CC[C@]5(C)[C@@]4(C)C[C@@]3(O[C@H]1C(C)(C)O)O2 |r,c:5,7,TLB:32:31:5.3.2:36|
[H][C@@]12C[C@@H](O)[C@@]3(C)[C@@]([H])([C@@H](O)[C@H](O)C4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:13|
[H][C@@]12O[C@@](CC[C@@]3(C)C(=O)C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)(OC1(C)C)[C@H](C)C[C@@H]2OC(C)=O |r,c:10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12C[C@@H](O)[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@@H]3OC(C)(C)O[C@H]3C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:12|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](O)[C@@]3(C)CO3)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)C(C)C)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C\C=C(\C=O)c3ccccc3)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(CCC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@]12C[C@@]3(C)C([C@H](O)C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)O |r,c:28|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C[C@@H](O)C4=C([C@H](C)CC(=O)OC)[C@H](C[C@]34C)OC)[C@@]1(C)CCC(=O)C2(C)C |r,c:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(CCC4=C(CC[C@]34C)[C@H](C)C[C@H](O)[C@H](O)C(C)=C)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)C[C@H]1OC(C)=O |r,c:12|
[H][C@]12C[C@@]3(C)C([C@H](O)C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:28|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)CC(=O)[C@H](O2)C(C)(C)O |r,c:6,27|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]1(OC1(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)C[C@@H]1OCC)OC(C)=O |r,c:11|
[H][C@]12C[C@@]3(C)C(CC[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)O |r,c:27|
[H][C@]1(C[C@@H](C)[C@@]2(CC[C@@]3(C)C2=C[C@H](OC)[C@@]2([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]32C)O1)[C@H](O)C(C)=C |r,t:11|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)OC |r,c:28|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)=C |r,c:28|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:28|
[H][C@@]1(OC1(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1)OC(C)=O |r,c:11|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C=CC4=C([C@H](C)C[C@H](O)[C@H](O)C(C)=C)C(=O)C[C@]34C)[C@@]1(C)CCC(=O)C2(C)C |r,c:8,10|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(C(=O)C[C@]34C)[C@]3(C)C[C@H](O)[C@@H](O3)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
[H][C@]12C[C@@]3(C)C(CC[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](O)C(C)(C)O |r,c:27|
[H][C@@]1(OC1(C)C)[C@@H](O)C[C@](C)(O)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1=O |r,c:13|
[H][C@]12C[C@@]3(C)C(C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@H](OC(C)=O)[C@@H](O2)C(C)(C)O |r,c:28|
[H][C@@]12CC[C@@]3(C)[C@@]([H])(C(=O)C=C4[C@@]5(CC[C@]34C)OC(=O)C[C@H]5C)[C@@]1(C)CCC(=O)C2(C)C |r,t:10|
[H][C@@]1(OC1(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]2(C)CC1=O)OC(C)=O |r,c:11|
[H][C@@]12C[C@@H](O)[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@H](O)C(=O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C |r,t:12|
[H][C@]12C[C@@]3(C)C(C=C[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]34C)=C1[C@H](C)C[C@]([H])(O2)[C@@H](OC(C)=O)C(C)(C)O |r,c:6,27|
[H][C@@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)CC4=C(CC[C@]34C)[C@H](C)C[C@@H]3OC(C)(C)O[C@H]3C(C)=C)[C@@]1(C)CCC(=O)C2(C)C |r,t:11|
CC(C)c1onc(c1COc1ccc(cc1)S(C)(=O)=O)-c1c(Cl)cccc1Cl |(60.49,-19.96,;58.96,-19.8,;58.33,-18.4,;58.06,-21.05,;56.52,-21.06,;56.05,-22.52,;57.3,-23.43,;58.54,-22.52,;60,-22.98,;61.14,-21.95,;62.61,-22.41,;62.93,-23.92,;64.4,-24.38,;65.54,-23.35,;65.2,-21.83,;63.74,-21.37,;67,-23.81,;68.14,-22.77,;68.09,-24.9,;66.61,-25.29,;57.31,-24.97,;58.65,-25.73,;59.98,-24.95,;58.65,-27.28,;57.31,-28.05,;55.98,-27.28,;55.98,-25.74,;54.65,-24.97,)|
CC(C)c1onc(c1COc1cccc(CO)c1)-c1c(Cl)cccc1Cl |(25.69,-33.38,;24.15,-33.22,;23.52,-31.82,;23.25,-34.47,;21.71,-34.47,;21.24,-35.94,;22.5,-36.84,;23.73,-35.93,;25.2,-36.4,;26.34,-35.36,;27.81,-35.83,;28.13,-37.33,;29.59,-37.8,;30.73,-36.76,;30.4,-35.25,;31.53,-34.21,;33,-34.67,;28.93,-34.79,;22.5,-38.38,;23.84,-39.15,;25.17,-38.37,;23.85,-40.7,;22.51,-41.47,;21.17,-40.7,;21.18,-39.15,;19.84,-38.38,)|
CC(C)c1onc(c1COc1ccc(COc2ccc(cc2)C#N)cc1)-c1c(Cl)cccc1Cl |(73.2,-47.85,;71.66,-47.7,;71.03,-46.29,;70.76,-48.95,;69.22,-48.95,;68.75,-50.42,;70.01,-51.32,;71.24,-50.41,;72.71,-50.88,;73.85,-49.84,;75.32,-50.31,;75.64,-51.81,;77.11,-52.28,;78.25,-51.24,;79.71,-51.71,;80.85,-50.67,;82.32,-51.13,;82.64,-52.63,;84.11,-53.1,;85.25,-52.06,;84.91,-50.55,;83.44,-50.09,;86.72,-52.53,;88.18,-52.99,;77.91,-49.73,;76.45,-49.27,;70.02,-52.86,;71.35,-53.62,;72.68,-52.85,;71.36,-55.17,;70.02,-55.95,;68.68,-55.18,;68.69,-53.63,;67.35,-52.86,)|
CC(C)c1onc(c1COc1ccc(cc1)C#N)-c1c(Cl)cccc1Cl |(9.81,-19.6,;8.28,-19.45,;7.65,-18.04,;7.38,-20.7,;5.84,-20.7,;5.37,-22.17,;6.63,-23.07,;7.86,-22.16,;9.33,-22.63,;10.46,-21.59,;11.93,-22.06,;12.25,-23.56,;13.72,-24.03,;14.86,-22.99,;14.53,-21.48,;13.06,-21.02,;16.33,-23.46,;17.8,-23.92,;6.63,-24.61,;7.97,-25.37,;9.3,-24.6,;7.97,-26.92,;6.63,-27.7,;5.3,-26.92,;5.3,-25.38,;3.97,-24.61,)|
COC(=O)c1ccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)cc1 |(65.15,-52.07,;63.68,-51.61,;62.55,-52.65,;62.88,-54.15,;61.08,-52.18,;59.94,-53.22,;58.47,-52.76,;58.15,-51.26,;56.68,-50.79,;55.54,-51.83,;54.08,-51.36,;52.94,-52.4,;51.47,-51.93,;51.15,-50.43,;49.68,-49.96,;48.54,-51,;47.07,-50.53,;46.59,-49.07,;45.05,-49.07,;44.58,-50.54,;45.84,-51.44,;45.85,-52.98,;47.18,-53.75,;48.51,-52.97,;47.19,-55.3,;45.85,-56.07,;44.52,-55.3,;44.52,-53.75,;43.18,-52.98,;47.5,-47.82,;49.03,-47.98,;46.87,-46.42,;52.28,-49.39,;53.74,-49.85,;59.27,-50.21,;60.74,-50.67,)|
COC(=O)c1cccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C(C)C)cc2)c1 |(71.09,-4.84,;69.95,-5.88,;68.48,-5.42,;68.15,-3.92,;67.35,-6.46,;67.69,-7.97,;66.55,-9.01,;65.08,-8.55,;64.76,-7.05,;63.29,-6.58,;62.15,-7.62,;60.69,-7.15,;59.55,-8.19,;58.08,-7.72,;57.76,-6.22,;56.29,-5.75,;55.15,-6.79,;53.68,-6.32,;53.2,-4.86,;51.66,-4.86,;51.19,-6.33,;52.45,-7.23,;52.46,-8.77,;53.79,-9.54,;55.12,-8.76,;53.8,-11.09,;52.46,-11.86,;51.13,-11.09,;51.13,-9.54,;49.79,-8.77,;54.11,-3.61,;55.64,-3.77,;53.47,-2.21,;58.89,-5.18,;60.35,-5.64,;65.88,-6,)|
CC(C)c1onc(c1COc1cccc(c1)C#N)-c1c(Cl)cccc1Cl |(10.75,-33.29,;9.22,-33.14,;8.59,-31.73,;8.32,-34.38,;6.78,-34.39,;6.31,-35.85,;7.57,-36.76,;8.8,-35.85,;10.27,-36.31,;11.41,-35.28,;12.87,-35.75,;13.19,-37.25,;14.66,-37.72,;15.8,-36.68,;15.47,-35.17,;14,-34.71,;16.6,-34.13,;17.74,-33.08,;7.57,-38.3,;8.91,-39.06,;10.24,-38.29,;8.91,-40.61,;7.58,-41.38,;6.24,-40.61,;6.24,-39.07,;4.91,-38.3,)|
COC(=O)c1cccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)c1 |(86.03,-19.45,;84.9,-20.49,;83.43,-20.02,;83.09,-18.52,;82.29,-21.06,;82.63,-22.58,;81.49,-23.61,;80.02,-23.15,;79.7,-21.64,;78.23,-21.18,;77.09,-22.21,;75.62,-21.75,;75.14,-20.28,;73.6,-20.29,;73.13,-21.75,;74.39,-22.66,;74.4,-24.2,;75.73,-24.96,;77.06,-24.18,;75.74,-26.51,;74.4,-27.28,;73.07,-26.51,;73.07,-24.97,;71.73,-24.2,;76.05,-19.03,;77.58,-19.19,;75.42,-17.63,;80.83,-20.6,)|
CC(C)c1onc(c1COc1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(43.82,-19.15,;42.28,-18.99,;41.65,-17.59,;41.38,-20.24,;39.84,-20.25,;39.37,-21.71,;40.63,-22.62,;41.86,-21.71,;43.33,-22.17,;44.47,-21.14,;45.94,-21.6,;46.26,-23.11,;47.72,-23.57,;48.86,-22.54,;48.53,-21.03,;47.06,-20.57,;50.33,-23,;51.47,-21.96,;50.66,-24.51,;40.63,-24.16,;41.97,-24.92,;43.3,-24.15,;41.98,-26.47,;40.64,-27.24,;39.3,-26.47,;39.31,-24.93,;37.97,-24.16,)|
CC(C)c1onc(c1COc1ccccc1)-c1c(Cl)cccc1Cl |(68.8,-5.51,;67.27,-5.35,;66.64,-3.95,;66.37,-6.6,;64.83,-6.61,;64.36,-8.07,;65.62,-8.97,;66.85,-8.06,;68.32,-8.53,;69.46,-7.5,;70.92,-7.96,;71.25,-9.46,;72.71,-9.93,;73.85,-8.89,;73.52,-7.38,;72.05,-6.92,;65.62,-10.51,;66.96,-11.28,;68.29,-10.5,;66.96,-12.83,;65.63,-13.6,;64.29,-12.83,;64.3,-11.29,;62.96,-10.52,)|
CC(C)c1onc(c1COc1ccc(COc2ccc(CO)cc2)cc1)-c1c(Cl)cccc1Cl |(8.45,-4.59,;6.92,-4.43,;6.29,-3.03,;6.02,-5.68,;4.48,-5.69,;4.01,-7.15,;5.26,-8.06,;6.5,-7.15,;7.96,-7.61,;9.1,-6.58,;10.57,-7.05,;10.89,-8.55,;12.36,-9.01,;13.5,-7.98,;14.97,-8.44,;16.1,-7.4,;17.57,-7.87,;17.89,-9.37,;19.36,-9.84,;20.5,-8.8,;21.97,-9.26,;23.1,-8.22,;20.16,-7.29,;18.7,-6.83,;13.16,-6.47,;11.7,-6.01,;5.27,-9.6,;6.6,-10.36,;7.94,-9.59,;6.61,-11.91,;5.27,-12.68,;3.94,-11.91,;3.94,-10.37,;2.61,-9.6,)|
COC(=O)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(70.07,-36.96,;69.74,-35.46,;68.27,-35,;67.93,-33.5,;67.13,-36.04,;67.47,-37.55,;66.33,-38.59,;64.87,-38.13,;64.54,-36.62,;65.67,-35.58,;63.08,-36.16,;61.93,-37.19,;60.47,-36.73,;60.15,-35.22,;58.68,-34.76,;57.54,-35.79,;56.07,-35.33,;55.59,-33.86,;54.05,-33.87,;53.58,-35.33,;54.84,-36.24,;54.85,-37.78,;56.18,-38.54,;57.51,-37.77,;56.19,-40.09,;54.85,-40.86,;53.51,-40.09,;53.52,-38.55,;52.18,-37.78,;56.49,-32.61,;58.03,-32.77,;55.86,-31.21,;61.27,-34.18,;62.74,-34.65,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(28.6,-47.07,;27.07,-46.92,;26.44,-45.51,;26.17,-48.17,;24.63,-48.17,;24.16,-49.64,;25.42,-50.54,;26.65,-49.63,;28.12,-50.1,;29.26,-49.06,;30.72,-49.53,;31.05,-51.03,;32.51,-51.5,;33.65,-50.46,;33.32,-48.95,;31.85,-48.49,;35.12,-50.93,;35.44,-52.43,;36.91,-52.9,;38.05,-51.86,;37.71,-50.35,;36.24,-49.89,;38.84,-49.3,;40.31,-49.76,;38.51,-47.8,;25.42,-52.08,;26.76,-52.84,;28.09,-52.07,;26.76,-54.39,;25.43,-55.17,;24.09,-54.4,;24.09,-52.85,;22.76,-52.08,)|
CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C#N)cc1)-c1c(Cl)cccc1Cl |(8.77,-19.43,;7.24,-19.27,;6.61,-17.87,;6.34,-20.52,;4.8,-20.53,;4.32,-21.99,;5.58,-22.9,;6.82,-21.99,;8.28,-22.45,;9.42,-21.42,;10.89,-21.89,;11.21,-23.39,;12.68,-23.85,;13.82,-22.82,;15.29,-23.28,;16.42,-22.24,;17.89,-22.71,;18.21,-24.21,;19.68,-24.68,;20.82,-23.64,;20.48,-22.13,;19.02,-21.67,;21.62,-21.09,;22.75,-20.04,;13.48,-21.31,;12.02,-20.85,;5.59,-24.44,;6.92,-25.2,;8.25,-24.43,;6.93,-26.75,;5.59,-27.52,;4.26,-26.75,;4.26,-25.21,;2.93,-24.44,)|
CC(C)c1onc(c1COc1ccc(COc2ccc(cc2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(31.53,-4.64,;30,-4.48,;29.37,-3.08,;29.09,-5.73,;27.55,-5.73,;27.08,-7.2,;28.34,-8.1,;29.57,-7.19,;31.04,-7.66,;32.18,-6.62,;33.65,-7.09,;33.97,-8.59,;35.44,-9.06,;36.58,-8.02,;38.04,-8.49,;39.18,-7.45,;40.65,-7.92,;40.97,-9.42,;42.44,-9.88,;43.58,-8.85,;43.24,-7.33,;41.77,-6.88,;45.05,-9.31,;46.18,-8.27,;45.38,-10.81,;36.24,-6.51,;34.78,-6.05,;28.35,-9.64,;29.68,-10.41,;31.01,-9.63,;29.69,-11.96,;28.35,-12.73,;27.02,-11.96,;27.02,-10.41,;25.68,-9.64,)|
CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(56.53,-18.8,;54.99,-18.64,;54.36,-17.24,;54.09,-19.89,;52.55,-19.9,;52.08,-21.36,;53.34,-22.27,;54.57,-21.36,;56.04,-21.82,;57.18,-20.79,;58.64,-21.26,;58.97,-22.76,;60.43,-23.22,;61.57,-22.19,;63.04,-22.65,;64.18,-21.61,;65.65,-22.08,;65.97,-23.58,;67.44,-24.05,;68.57,-23.01,;68.24,-21.5,;66.77,-21.04,;69.37,-20.46,;70.84,-20.92,;69.04,-18.95,;61.24,-20.68,;59.77,-20.22,;53.34,-23.81,;54.68,-24.57,;56.01,-23.8,;54.68,-26.12,;53.35,-26.89,;52.01,-26.12,;52.02,-24.58,;50.68,-23.81,)|
CC(C)c1onc(c1COc1ccc(CO)cc1)-c1c(Cl)cccc1Cl |(26.86,-19.96,;25.33,-19.8,;24.7,-18.4,;24.43,-21.05,;22.89,-21.06,;22.42,-22.52,;23.67,-23.43,;24.91,-22.52,;26.37,-22.98,;27.51,-21.95,;28.98,-22.41,;29.3,-23.92,;30.77,-24.38,;31.91,-23.35,;33.38,-23.81,;34.51,-22.77,;31.57,-21.83,;30.11,-21.37,;23.68,-24.97,;25.01,-25.73,;26.35,-24.95,;25.02,-27.28,;23.68,-28.05,;22.35,-27.28,;22.35,-25.74,;21.02,-24.97,)|
CC(C)c1onc(c1COc1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(42.14,-33.95,;40.6,-33.8,;39.97,-32.39,;39.7,-35.04,;38.16,-35.05,;37.69,-36.51,;38.95,-37.42,;40.18,-36.51,;41.65,-36.97,;42.79,-35.94,;44.26,-36.41,;44.58,-37.91,;46.04,-38.38,;47.18,-37.34,;46.85,-35.83,;45.38,-35.37,;47.98,-34.79,;49.45,-35.25,;47.65,-33.28,;38.95,-38.96,;40.29,-39.72,;41.62,-38.95,;40.3,-41.27,;38.96,-42.04,;37.62,-41.27,;37.63,-39.73,;36.29,-38.96,)|
CC(C)c1onc(c1COc1ccc(COc2cccc(CO)c2)cc1)-c1c(Cl)cccc1Cl |(31.4,-18.62,;29.87,-18.47,;29.24,-17.06,;28.97,-19.71,;27.43,-19.72,;26.96,-21.19,;28.22,-22.09,;29.45,-21.18,;30.92,-21.65,;32.06,-20.61,;33.52,-21.08,;33.85,-22.58,;35.31,-23.05,;36.45,-22.01,;37.92,-22.47,;39.06,-21.44,;40.52,-21.9,;40.85,-23.4,;42.31,-23.87,;43.45,-22.83,;43.12,-21.32,;44.25,-20.28,;45.72,-20.74,;41.65,-20.86,;36.12,-20.5,;34.65,-20.04,;28.22,-23.63,;29.56,-24.39,;30.89,-23.62,;29.56,-25.94,;28.23,-26.71,;26.89,-25.94,;26.89,-24.4,;25.56,-23.63,)|
COC(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(90.15,-8.73,;88.68,-8.26,;87.55,-9.3,;87.88,-10.8,;86.08,-8.83,;84.94,-9.87,;83.47,-9.4,;83.15,-7.9,;81.68,-7.43,;80.55,-8.47,;79.08,-8,;78.6,-6.54,;77.06,-6.54,;76.59,-8.01,;77.85,-8.91,;77.85,-10.45,;79.19,-11.22,;80.52,-10.44,;79.19,-12.77,;77.85,-13.54,;76.52,-12.77,;76.52,-11.22,;75.19,-10.45,;79.5,-5.29,;81.03,-5.45,;78.87,-3.89,;84.28,-6.86,;85.74,-7.32,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(CO)c1)-c1c(Cl)cccc1Cl |(9.38,-47,;7.84,-46.85,;7.21,-45.44,;6.94,-48.1,;5.4,-48.1,;4.93,-49.57,;6.19,-50.47,;7.42,-49.56,;8.89,-50.03,;10.03,-48.99,;11.5,-49.46,;11.82,-50.96,;13.28,-51.43,;14.42,-50.39,;14.09,-48.88,;12.62,-48.42,;15.89,-50.86,;16.22,-52.36,;17.68,-52.83,;18.82,-51.79,;18.48,-50.28,;19.62,-49.23,;21.09,-49.7,;17.02,-49.82,;6.2,-52.01,;7.53,-52.77,;8.86,-52,;7.54,-54.33,;6.2,-55.1,;4.86,-54.33,;4.87,-52.78,;3.53,-52.01,)|
OCCCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1
OCCCCCN1CCCC1c1nc(no1)-c1ccc2ccccc2c1
OCCCCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r|
OC(=O)CCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r|
OCCCCCN1CCCCC1c1nc(no1)-c1ccc2ccccc2c1
OCCCCN1CCCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r|
C1CC[C@H](NC1)c1nc(no1)-c1ccc2ccccc2c1 |r|
OC(=O)CCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1
OCCCN1CCC(CC1)c1nc(no1)-c1ccc2ccccc2c1
OCCCN1CCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r|
OCCCN1CCCC[C@H]1c1nc(no1)-c1ccc2ccccc2c1 |r|
C1CC(CCN1)c1nc(no1)-c1ccc2ccccc2c1
C1CN[C@@H](C1)c1nc(no1)-c1ccc2ccccc2c1 |r|
CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)|
CCCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(14.96,-41.67,;15.87,-42.9,;15.24,-44.31,;16.16,-45.56,;15.68,-47.02,;16.93,-47.92,;18.17,-47.01,;19.67,-47.33,;20.7,-46.18,;20.22,-44.72,;18.72,-44.41,;17.7,-45.55,;21.24,-43.56,;22.75,-43.88,;20.75,-42.1,;14.22,-47.5,;13.89,-49.01,;12.43,-49.48,;11.29,-48.45,;9.82,-48.93,;8.67,-47.89,;7.21,-48.37,;6.73,-49.84,;5.19,-49.84,;4.72,-48.37,;5.96,-47.46,;5.95,-45.92,;7.29,-45.15,;8.63,-45.92,;7.28,-43.59,;5.95,-42.83,;4.62,-43.6,;4.61,-45.15,;3.28,-45.92,;7.64,-51.08,;7.01,-52.49,;9.17,-50.92,;11.6,-46.95,;13.06,-46.46,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(35.36,-53.52,;35.99,-52.11,;37.52,-51.95,;35.08,-50.87,;33.54,-50.87,;33.07,-49.4,;34.31,-48.49,;35.56,-49.4,;37.02,-48.92,;38.17,-49.95,;39.64,-49.48,;40.78,-50.51,;42.24,-50.04,;42.57,-48.53,;41.41,-47.49,;39.95,-47.98,;44.03,-48.05,;45.27,-48.95,;46.52,-48.04,;48.02,-48.36,;49.05,-47.21,;48.57,-45.75,;47.07,-45.44,;46.05,-46.58,;44.5,-46.58,;43.59,-45.34,;44.21,-43.93,;42.07,-45.5,;49.58,-44.59,;51.1,-44.91,;49.1,-43.13,;34.3,-46.95,;35.64,-46.17,;36.98,-46.95,;35.63,-44.62,;34.3,-43.86,;32.97,-44.63,;32.96,-46.18,;31.63,-46.95,)|
CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)|
CCCC(CCC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(12.15,-5.82,;13.68,-5.65,;14.58,-6.89,;16.11,-6.73,;16.73,-5.33,;15.82,-4.09,;16.44,-2.68,;17.02,-7.98,;16.55,-9.44,;17.79,-10.35,;19.03,-9.44,;20.53,-9.75,;21.56,-8.6,;21.08,-7.14,;19.58,-6.83,;18.56,-7.98,;22.1,-5.99,;23.61,-6.3,;21.62,-4.52,;15.08,-9.92,;14.75,-11.43,;13.3,-11.91,;12.15,-10.87,;10.68,-11.35,;9.54,-10.31,;8.07,-10.8,;7.6,-12.26,;6.05,-12.26,;5.58,-10.8,;6.82,-9.89,;6.81,-8.34,;8.15,-7.57,;9.49,-8.34,;8.15,-6.01,;6.81,-5.25,;5.48,-6.02,;5.47,-7.57,;4.14,-8.34,;8.5,-13.5,;7.87,-14.91,;10.03,-13.34,;12.46,-9.37,;13.93,-8.89,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CC1)C(O)=O)-c1c(Cl)cccc1Cl |(37.25,-13.03,;37.88,-11.63,;39.41,-11.47,;36.98,-10.38,;35.44,-10.38,;34.96,-8.92,;36.2,-8.01,;37.45,-8.92,;38.92,-8.44,;40.06,-9.47,;41.53,-9,;42.67,-10.03,;44.13,-9.56,;44.46,-8.05,;43.3,-7.01,;41.84,-7.5,;45.92,-7.57,;47.16,-8.47,;48.4,-7.56,;49.9,-7.87,;50.93,-6.73,;50.45,-5.27,;48.95,-4.96,;47.93,-6.1,;46.39,-6.1,;45.48,-4.86,;45.32,-3.32,;44.07,-4.24,;51.47,-4.11,;52.98,-4.43,;50.98,-2.65,;36.19,-6.47,;37.53,-5.69,;38.87,-6.47,;37.53,-4.14,;36.19,-3.38,;34.86,-4.15,;34.86,-5.69,;33.53,-6.47,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(67.23,-33.83,;67.86,-32.42,;69.39,-32.26,;66.96,-31.18,;65.41,-31.18,;64.94,-29.71,;66.18,-28.8,;67.43,-29.71,;68.89,-29.23,;70.04,-30.26,;71.51,-29.79,;72.65,-30.82,;74.11,-30.35,;74.43,-28.84,;73.28,-27.8,;71.82,-28.29,;75.9,-28.36,;77.14,-29.26,;78.38,-28.35,;79.88,-28.67,;80.91,-27.52,;80.42,-26.06,;78.93,-25.75,;77.91,-26.89,;76.37,-26.9,;75.46,-25.65,;73.95,-25.93,;72.78,-24.92,;72.84,-23.38,;74.08,-22.47,;75.58,-22.87,;76.19,-24.29,;81.44,-24.91,;82.95,-25.22,;80.96,-23.44,;66.17,-27.26,;67.51,-26.49,;68.85,-27.26,;67.51,-24.94,;66.17,-24.18,;64.84,-24.94,;64.84,-26.49,;63.51,-27.26,)|
CC(C)Cn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(46.55,-42.95,;47.45,-44.19,;48.98,-44.02,;46.83,-45.59,;47.74,-46.84,;47.27,-48.3,;48.51,-49.2,;49.76,-48.3,;51.26,-48.61,;52.28,-47.46,;51.8,-46,;50.3,-45.69,;49.28,-46.83,;52.82,-44.85,;54.33,-45.16,;52.34,-43.38,;45.8,-48.78,;45.48,-50.29,;44.02,-50.76,;42.87,-49.73,;41.41,-50.21,;40.26,-49.17,;38.79,-49.66,;38.32,-51.12,;36.78,-51.12,;36.3,-49.65,;37.54,-48.75,;37.53,-47.2,;38.88,-46.43,;40.21,-47.2,;38.87,-44.87,;37.53,-44.11,;36.2,-44.88,;36.2,-46.43,;34.87,-47.2,;39.22,-52.36,;38.6,-53.77,;40.75,-52.2,;43.19,-48.23,;44.65,-47.75,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC(C)(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(67.86,-53.83,;68.48,-52.42,;70.01,-52.26,;67.58,-51.18,;66.04,-51.18,;65.56,-49.71,;66.8,-48.8,;68.05,-49.71,;69.52,-49.23,;70.67,-50.26,;72.13,-49.79,;73.28,-50.82,;74.74,-50.35,;75.06,-48.84,;73.91,-47.8,;72.45,-48.29,;76.53,-48.36,;77.77,-49.26,;79.02,-48.35,;80.52,-48.67,;81.54,-47.52,;81.06,-46.06,;79.56,-45.75,;78.54,-46.89,;77,-46.89,;76.09,-45.65,;76.71,-44.24,;75.81,-43,;78.24,-44.08,;77.46,-42.91,;82.08,-44.9,;83.59,-45.22,;81.6,-43.44,;66.8,-47.26,;68.14,-46.48,;69.47,-47.26,;68.13,-44.93,;66.79,-44.17,;65.46,-44.94,;65.46,-46.48,;64.13,-47.26,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CC1)C(O)=O)-c1c(Cl)cccc1Cl |(8.79,-13.89,;9.42,-12.48,;10.95,-12.32,;8.52,-11.24,;6.97,-11.24,;6.5,-9.77,;7.74,-8.86,;8.99,-9.77,;10.46,-9.29,;11.61,-10.32,;13.07,-9.85,;14.22,-10.88,;15.67,-10.41,;16,-8.9,;14.85,-7.86,;13.38,-8.35,;17.47,-8.42,;18.71,-9.32,;19.95,-8.41,;21.45,-8.73,;22.48,-7.58,;22,-6.12,;20.5,-5.81,;19.48,-6.95,;17.94,-6.95,;17.03,-5.71,;17.65,-4.3,;18.89,-3.41,;17.48,-2.79,;23.02,-4.96,;24.53,-5.28,;22.54,-3.5,;7.73,-7.32,;9.07,-6.54,;10.41,-7.32,;9.07,-4.99,;7.73,-4.23,;6.4,-5,;6.4,-6.54,;5.07,-7.32,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(36.95,-14.4,;37.58,-12.99,;39.11,-12.83,;36.68,-11.75,;35.13,-11.75,;34.66,-10.28,;35.9,-9.37,;37.15,-10.28,;38.62,-9.8,;39.76,-10.84,;41.23,-10.36,;42.38,-11.39,;43.83,-10.92,;44.16,-9.41,;43.01,-8.37,;41.54,-8.86,;45.63,-8.93,;46.87,-9.83,;48.11,-8.92,;49.61,-9.24,;50.64,-8.09,;50.16,-6.63,;48.66,-6.32,;47.64,-7.46,;46.1,-7.46,;45.19,-6.22,;45.81,-4.81,;47.34,-4.66,;47.96,-3.26,;47.07,-2.02,;45.54,-2.18,;44.91,-3.58,;51.18,-5.47,;52.69,-5.79,;50.7,-4.01,;35.89,-7.83,;37.23,-7.05,;38.57,-7.83,;37.23,-5.5,;35.89,-4.74,;34.56,-5.51,;34.56,-7.06,;33.23,-7.83,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1-c1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(9.29,-32.89,;9.91,-31.48,;11.44,-31.32,;9.01,-30.24,;7.47,-30.24,;7,-28.78,;8.24,-27.87,;9.49,-28.78,;10.95,-28.29,;12.1,-29.33,;13.56,-28.85,;14.71,-29.88,;16.16,-29.41,;16.49,-27.9,;15.33,-26.87,;13.87,-27.35,;17.95,-27.43,;19.19,-28.33,;20.44,-27.42,;21.94,-27.73,;22.96,-26.59,;22.48,-25.12,;20.98,-24.82,;19.97,-25.96,;18.42,-25.96,;17.51,-24.71,;18.15,-23.31,;17.24,-22.06,;15.7,-22.22,;14.8,-20.99,;15.08,-23.64,;15.99,-24.88,;23.5,-23.97,;25.01,-24.29,;23.02,-22.51,;8.23,-26.33,;9.57,-25.55,;10.9,-26.32,;9.56,-24,;8.23,-23.24,;6.89,-24.01,;6.89,-25.55,;5.56,-26.32,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1Cc1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(37.39,-34.35,;38.01,-32.94,;39.55,-32.78,;37.11,-31.7,;35.57,-31.7,;35.09,-30.23,;36.34,-29.32,;37.58,-30.23,;39.05,-29.75,;40.2,-30.78,;41.67,-30.31,;42.81,-31.34,;44.27,-30.87,;44.6,-29.36,;43.44,-28.32,;41.98,-28.81,;46.06,-28.88,;47.3,-29.78,;48.55,-28.87,;50.05,-29.18,;51.08,-28.04,;50.59,-26.57,;49.09,-26.27,;48.07,-27.41,;46.53,-27.41,;45.62,-26.16,;46.24,-24.76,;47.77,-24.61,;48.39,-23.2,;47.49,-21.96,;48.1,-20.56,;45.95,-22.13,;45.34,-23.53,;51.61,-25.42,;53.12,-25.74,;51.13,-23.96,;36.33,-27.78,;37.67,-27,;39,-27.77,;37.66,-25.45,;36.32,-24.69,;34.99,-25.46,;34.99,-27,;33.66,-27.78,)|
CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1F |(74.89,-22.95,;75.79,-24.19,;75.17,-25.59,;73.65,-25.75,;72.74,-24.51,;76.08,-26.84,;75.61,-28.3,;76.85,-29.2,;78.1,-28.3,;79.6,-28.61,;80.63,-27.46,;80.15,-26,;78.65,-25.69,;77.63,-26.83,;81.16,-24.85,;82.67,-25.16,;80.68,-23.38,;74.15,-28.78,;73.82,-30.29,;72.36,-30.76,;71.22,-29.73,;69.75,-30.21,;68.6,-29.17,;67.14,-29.65,;65.89,-28.74,;64.65,-29.65,;65.12,-31.12,;66.66,-31.12,;67.56,-32.36,;66.94,-33.77,;69.1,-32.2,;65.88,-27.2,;67.22,-26.43,;68.56,-27.2,;67.21,-24.87,;65.88,-24.11,;64.54,-24.88,;64.54,-26.43,;63.21,-27.2,;71.53,-28.23,;72.99,-27.75,;73.3,-26.24,)|
CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl |(15.67,-43.63,;16.57,-44.87,;18.1,-44.71,;18.72,-43.31,;17.81,-42.07,;19.01,-45.96,;18.53,-47.42,;19.78,-48.32,;21.02,-47.42,;22.52,-47.73,;23.55,-46.58,;23.07,-45.12,;21.57,-44.81,;20.55,-45.95,;24.09,-43.97,;25.6,-44.28,;23.6,-42.5,;17.07,-47.9,;16.74,-49.41,;15.28,-49.88,;14.14,-48.85,;12.67,-49.33,;11.53,-48.29,;10.06,-48.77,;9.58,-50.24,;8.04,-50.24,;7.57,-48.77,;8.81,-47.86,;8.8,-46.32,;10.14,-45.55,;11.48,-46.32,;10.14,-43.99,;8.8,-43.23,;7.47,-44,;7.46,-45.55,;6.14,-46.32,;10.49,-51.48,;9.86,-52.89,;12.02,-51.32,;14.45,-47.35,;15.91,-46.87,;16.23,-45.36,)|
CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(68.63,-53.77,;69.25,-52.36,;70.79,-52.2,;68.35,-51.11,;66.81,-51.11,;66.33,-49.65,;67.58,-48.74,;68.82,-49.65,;70.29,-49.17,;71.44,-50.2,;72.91,-49.73,;74.05,-50.76,;75.51,-50.28,;75.84,-48.77,;77.3,-48.3,;78.55,-49.2,;79.79,-48.29,;81.29,-48.6,;82.32,-47.46,;81.84,-45.99,;80.34,-45.68,;79.32,-46.83,;77.78,-46.83,;76.86,-45.58,;77.49,-44.18,;79.01,-44.02,;79.63,-42.62,;78.73,-41.38,;77.21,-41.54,;76.58,-42.95,;82.86,-44.84,;84.37,-45.15,;82.37,-43.37,;74.68,-47.74,;74.99,-46.23,;73.22,-48.22,;67.57,-47.19,;68.91,-46.42,;70.25,-47.19,;68.9,-44.86,;67.56,-44.1,;66.23,-44.87,;66.23,-46.42,;64.9,-47.19,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCC1)C(O)=O)-c1c(Cl)cccc1Cl |(66.8,-13.31,;67.42,-11.9,;68.95,-11.74,;66.52,-10.66,;64.98,-10.66,;64.51,-9.2,;65.75,-8.29,;66.99,-9.2,;68.46,-8.72,;69.61,-9.75,;71.07,-9.28,;72.21,-10.31,;73.67,-9.83,;74,-8.32,;72.84,-7.29,;71.38,-7.78,;75.46,-7.85,;76.7,-8.75,;77.95,-7.84,;79.45,-8.15,;80.47,-7.01,;79.99,-5.55,;78.49,-5.24,;77.47,-6.38,;75.93,-6.38,;75.02,-5.13,;75.27,-3.6,;73.74,-3.37,;73.5,-4.89,;81.01,-4.39,;82.52,-4.71,;80.53,-2.93,;65.74,-6.75,;67.08,-5.97,;68.41,-6.74,;67.07,-4.42,;65.73,-3.66,;64.4,-4.43,;64.4,-5.97,;63.07,-6.75,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(8.55,-32.97,;9.17,-31.57,;10.7,-31.41,;8.27,-30.33,;6.73,-30.33,;6.25,-28.86,;7.49,-27.95,;8.74,-28.86,;10.21,-28.38,;11.35,-29.41,;12.82,-28.94,;13.96,-29.97,;15.42,-29.5,;15.75,-27.99,;14.59,-26.95,;13.13,-27.44,;17.21,-27.51,;18.45,-28.41,;19.7,-27.5,;21.19,-27.82,;22.22,-26.67,;21.74,-25.21,;20.24,-24.9,;19.22,-26.04,;17.68,-26.05,;16.77,-24.8,;17.24,-23.33,;15.99,-22.43,;14.74,-23.34,;15.22,-24.8,;22.76,-24.06,;24.27,-24.37,;22.27,-22.59,;7.49,-26.41,;8.82,-25.64,;10.16,-26.41,;8.82,-24.08,;7.48,-23.32,;6.15,-24.09,;6.15,-25.64,;4.82,-26.41,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(36.9,-33.77,;37.52,-32.36,;39.05,-32.2,;36.62,-31.12,;35.08,-31.12,;34.6,-29.65,;35.85,-28.74,;37.09,-29.65,;38.56,-29.17,;39.7,-30.2,;41.17,-29.73,;42.31,-30.76,;43.77,-30.29,;44.1,-28.78,;42.94,-27.74,;41.48,-28.23,;45.56,-28.3,;46.8,-29.2,;48.05,-28.29,;49.54,-28.61,;50.57,-27.46,;50.09,-26,;48.59,-25.69,;47.57,-26.83,;46.03,-26.84,;45.12,-25.59,;45.75,-24.18,;44.85,-22.94,;43.31,-23.09,;42.69,-24.51,;43.59,-25.76,;51.11,-24.85,;52.62,-25.16,;50.63,-23.38,;35.84,-27.2,;37.18,-26.43,;38.51,-27.2,;37.17,-24.88,;35.83,-24.11,;34.5,-24.88,;34.5,-26.43,;33.17,-27.2,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCN(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(8.01,-54.55,;8.64,-53.14,;10.17,-52.98,;7.73,-51.9,;6.19,-51.9,;5.72,-50.43,;6.96,-49.53,;8.21,-50.44,;9.68,-49.95,;10.82,-50.99,;12.29,-50.51,;13.44,-51.54,;14.89,-51.07,;15.22,-49.56,;14.06,-48.53,;12.6,-49.01,;16.69,-49.08,;17.93,-49.98,;19.17,-49.08,;20.67,-49.39,;21.7,-48.24,;21.22,-46.78,;19.72,-46.47,;18.7,-47.61,;17.16,-47.62,;16.25,-46.37,;16.87,-44.97,;15.96,-43.73,;14.44,-43.89,;13.82,-45.29,;14.72,-46.53,;13.53,-42.65,;14.15,-41.25,;12.01,-42.81,;22.24,-45.63,;23.75,-45.94,;21.76,-44.16,;6.95,-47.98,;8.29,-47.21,;9.63,-47.98,;8.29,-45.65,;6.95,-44.89,;5.62,-45.66,;5.61,-47.21,;4.28,-47.98,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CCC(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(66.63,-16.15,;67.26,-14.74,;68.79,-14.58,;66.36,-13.5,;64.81,-13.5,;64.34,-12.03,;65.58,-11.12,;66.83,-12.03,;68.3,-11.55,;69.45,-12.58,;70.91,-12.11,;72.06,-13.14,;73.52,-12.67,;73.84,-11.16,;72.69,-10.12,;71.23,-10.61,;75.31,-10.68,;76.55,-11.58,;77.8,-10.67,;79.3,-10.98,;80.33,-9.84,;79.84,-8.37,;78.34,-8.07,;77.32,-9.21,;75.78,-9.21,;74.87,-7.96,;75.49,-6.56,;77.03,-6.4,;77.65,-5.01,;76.75,-3.76,;75.22,-3.92,;74.59,-5.33,;77.37,-2.37,;76.48,-1.12,;78.9,-2.21,;80.86,-7.22,;82.37,-7.54,;80.38,-5.76,;65.57,-9.58,;66.91,-8.8,;68.25,-9.57,;66.91,-7.25,;65.57,-6.49,;64.24,-7.25,;64.23,-8.8,;62.9,-9.58,)|
CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(F)c1)-c1c(Cl)cccc1Cl |(39.35,-53.7,;39.97,-52.29,;41.51,-52.13,;39.07,-51.05,;37.53,-51.05,;37.06,-49.58,;38.3,-48.67,;39.55,-49.58,;41.01,-49.1,;42.16,-50.14,;43.63,-49.66,;44.77,-50.69,;46.23,-50.22,;46.56,-48.71,;48.02,-48.23,;49.27,-49.13,;50.51,-48.22,;52.01,-48.54,;53.04,-47.39,;52.56,-45.93,;51.06,-45.62,;50.04,-46.76,;48.5,-46.76,;47.59,-45.52,;48.21,-44.11,;49.73,-43.96,;50.36,-42.56,;49.46,-41.32,;47.93,-41.48,;47.3,-42.88,;53.58,-44.77,;55.09,-45.09,;53.1,-43.31,;45.4,-47.67,;45.72,-46.17,;43.94,-48.16,;38.29,-47.13,;39.63,-46.35,;40.97,-47.13,;39.62,-44.8,;38.29,-44.04,;36.95,-44.81,;36.95,-46.35,;35.62,-47.13,)|
CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(35.35,-31.89,;35.97,-30.48,;37.51,-30.32,;35.07,-29.24,;33.53,-29.24,;33.06,-27.77,;34.3,-26.86,;35.55,-27.77,;37.01,-27.29,;38.16,-28.32,;39.62,-27.85,;40.77,-28.88,;42.22,-28.41,;42.55,-26.9,;44.01,-26.42,;45.26,-27.32,;46.5,-26.41,;48,-26.73,;49.03,-25.58,;48.54,-24.12,;47.05,-23.81,;46.03,-24.95,;44.49,-24.96,;43.58,-23.71,;49.56,-22.97,;51.07,-23.28,;49.08,-21.5,;41.4,-25.86,;41.71,-24.36,;39.94,-26.35,;34.29,-25.32,;35.63,-24.55,;36.97,-25.32,;35.62,-23,;34.29,-22.23,;32.96,-23,;32.95,-24.55,;31.63,-25.32,)|
CC(C)c1onc(c1COc1ccc(cc1Cl)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(6.58,-31.57,;7.2,-30.16,;8.74,-30,;6.3,-28.92,;4.76,-28.92,;4.29,-27.45,;5.53,-26.55,;6.78,-27.45,;8.24,-26.97,;9.39,-28.01,;10.85,-27.53,;12,-28.56,;13.45,-28.09,;13.78,-26.58,;12.63,-25.55,;11.17,-26.03,;10.02,-25,;15.24,-26.1,;16.49,-27,;17.73,-26.1,;19.23,-26.41,;20.26,-25.27,;19.77,-23.8,;18.28,-23.5,;17.26,-24.64,;15.72,-24.64,;14.81,-23.39,;20.79,-22.65,;22.3,-22.97,;20.31,-21.19,;5.52,-25,;6.86,-24.23,;8.2,-25,;6.85,-22.68,;5.52,-21.92,;4.19,-22.68,;4.18,-24.23,;2.86,-25,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(66.09,-12.42,;66.72,-11.01,;68.25,-10.85,;65.82,-9.77,;64.28,-9.77,;63.79,-8.3,;65.04,-7.4,;66.29,-8.3,;67.76,-7.83,;68.9,-8.86,;70.37,-8.38,;71.5,-9.42,;72.97,-8.94,;73.3,-7.44,;72.14,-6.4,;70.68,-6.88,;74.75,-6.95,;76,-7.86,;77.24,-6.94,;78.74,-7.26,;79.77,-6.12,;79.28,-4.66,;77.78,-4.35,;76.77,-5.48,;75.23,-5.48,;74.32,-4.25,;81.28,-6.43,;82.3,-5.28,;81.76,-7.9,;65.03,-5.86,;66.37,-5.08,;67.71,-5.85,;66.37,-3.53,;65.03,-2.77,;63.7,-3.54,;63.7,-5.08,;62.36,-5.86,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(35.01,-13.06,;35.63,-11.65,;37.16,-11.49,;34.73,-10.41,;33.19,-10.41,;32.72,-8.94,;33.96,-8.03,;35.21,-8.94,;36.67,-8.46,;37.82,-9.5,;39.28,-9.02,;40.43,-10.05,;41.88,-9.58,;42.21,-8.07,;41.06,-7.04,;39.6,-7.52,;43.67,-7.59,;44.92,-8.49,;46.16,-7.58,;47.66,-7.9,;48.69,-6.75,;48.2,-5.29,;46.71,-4.98,;45.69,-6.12,;44.15,-6.13,;43.24,-4.88,;49.22,-4.14,;50.73,-4.46,;48.74,-2.68,;33.95,-6.49,;35.29,-5.72,;36.62,-6.49,;35.28,-4.17,;33.95,-3.41,;32.62,-4.17,;32.61,-5.72,;31.28,-6.49,)|
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1ccccc1
CC(C)c1onc(c1COc1ccc(CCCCC(O)=O)cc1)-c1ccccc1
CC(C)c1onc(c1COc1ccc(Oc2ccc(cc2)C(O)=O)cc1)-c1ccccc1
CC(C)c1onc(c1COc1ccc(COc2ccc(cc2)C(O)=O)cc1)-c1ccccc1
CC(C)c1onc(c1COc1ccc(COc2ccc(CC(O)=O)cc2)cc1)-c1ccccc1
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1ccccc1Cl
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1ccccc1C(F)(F)F
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1c(Cl)cccc1Cl |(30.23,-4.28,;28.77,-3.8,;28.45,-2.3,;27.62,-4.83,;26.12,-4.51,;25.35,-5.85,;26.38,-6.99,;27.78,-6.36,;29.12,-7.12,;30.45,-6.35,;31.79,-7.13,;33.12,-6.35,;34.46,-7.12,;34.45,-8.67,;35.78,-9.45,;37.12,-8.68,;38.45,-9.46,;39.78,-8.7,;41.12,-9.47,;39.79,-7.15,;33.11,-9.44,;31.79,-8.66,;26.06,-8.49,;24.6,-8.97,;23.46,-7.95,;24.29,-10.47,;25.43,-11.5,;26.9,-11.03,;27.21,-9.52,;28.67,-9.04,)|
CC(C)c1onc(c1COc1ccc(CCCC(O)=O)cc1)-c1c(C)cccc1C |(52.28,-3.41,;50.82,-2.93,;50.5,-1.43,;49.67,-3.96,;48.16,-3.65,;47.4,-4.98,;48.43,-6.12,;49.83,-5.49,;51.16,-6.25,;52.49,-5.49,;53.83,-6.26,;55.17,-5.48,;56.5,-6.25,;56.5,-7.81,;57.83,-8.58,;59.17,-7.82,;60.5,-8.6,;61.83,-7.83,;63.17,-8.6,;61.84,-6.29,;55.16,-8.57,;53.84,-7.8,;48.1,-7.63,;46.65,-8.11,;45.5,-7.08,;46.33,-9.6,;47.48,-10.64,;48.94,-10.16,;49.26,-8.65,;50.72,-8.17,)|
CC(C)c1onc(c1COc1ccc(COc2ccc(CC(O)=O)cc2)cc1)-c1ccccc1Cl
CC(C)c1onc(c1COc1ccc(COc2ccc(OCC(O)=O)cc2)cc1)-c1ccccc1Cl
CC(C)c1onc(c1COc1ccc(COc2ccc(CC(O)=O)cc2)cc1)-c1c(Cl)cccc1Cl |(9.18,-28.63,;7.72,-28.15,;7.4,-26.65,;6.57,-29.18,;5.06,-28.87,;4.29,-30.2,;5.32,-31.35,;6.73,-30.71,;8.06,-31.48,;9.39,-30.71,;10.74,-31.48,;12.07,-30.71,;13.41,-31.48,;13.4,-33.04,;14.74,-33.81,;16.07,-33.04,;17.41,-33.82,;17.39,-35.35,;18.73,-36.12,;20.06,-35.36,;21.39,-36.13,;21.39,-37.67,;20.06,-38.43,;22.73,-38.44,;20.06,-33.81,;18.73,-33.04,;12.07,-33.8,;10.74,-33.03,;5,-32.85,;6.16,-33.88,;7.62,-33.4,;5.84,-35.39,;4.37,-35.87,;3.22,-34.83,;3.54,-33.33,;2.4,-32.31,)|
CC(C)c1onc(c1COc1ccc(CNc2ccc(CC(O)=O)cc2)cc1)-c1c(Cl)cccc1Cl |(31.26,-28.35,;29.8,-27.87,;29.48,-26.37,;28.65,-28.9,;27.14,-28.59,;26.37,-29.92,;27.41,-31.07,;28.81,-30.43,;30.15,-31.2,;31.48,-30.43,;32.82,-31.2,;34.15,-30.43,;35.49,-31.2,;35.49,-32.76,;36.82,-33.53,;38.16,-32.76,;39.49,-33.54,;39.48,-35.07,;40.81,-35.84,;42.15,-35.08,;43.48,-35.85,;43.48,-37.39,;42.14,-38.15,;44.81,-38.16,;42.14,-33.53,;40.81,-32.76,;34.15,-33.52,;32.82,-32.75,;27.08,-32.57,;28.24,-33.6,;29.7,-33.12,;27.92,-35.11,;26.46,-35.59,;25.31,-34.55,;25.63,-33.05,;24.48,-32.03,)|
CC(C)c1onc(c1COc1ccc(CNc2ccc(CC(O)=O)c(C)c2)cc1)-c1c(Cl)cccc1Cl |(53,-28.45,;51.53,-27.98,;51.21,-26.47,;50.39,-29.01,;48.87,-28.69,;48.11,-30.03,;49.14,-31.17,;50.54,-30.54,;51.88,-31.31,;53.21,-30.54,;54.55,-31.31,;55.89,-30.53,;57.23,-31.3,;57.22,-32.86,;58.56,-33.64,;59.89,-32.87,;61.22,-33.64,;61.21,-35.18,;62.54,-35.95,;63.88,-35.18,;65.21,-35.95,;65.21,-37.49,;63.88,-38.26,;66.55,-38.26,;63.88,-33.63,;65.21,-32.86,;62.55,-32.87,;55.88,-33.63,;54.56,-32.85,;48.82,-32.68,;49.97,-33.71,;51.44,-33.22,;49.66,-35.22,;48.19,-35.7,;47.04,-34.66,;47.36,-33.16,;46.21,-32.13,)|
CC(C)c1onc(c1COc1ccc(COc2ccc(CC(O)=O)cc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(12.22,-44.06,;10.76,-43.59,;10.44,-42.08,;9.61,-44.62,;8.1,-44.3,;7.33,-45.64,;8.36,-46.78,;9.77,-46.15,;11.1,-46.91,;12.43,-46.14,;13.78,-46.92,;15.11,-46.14,;16.45,-46.91,;16.44,-48.47,;17.78,-49.24,;19.11,-48.48,;20.45,-49.25,;20.43,-50.79,;21.77,-51.56,;23.1,-50.79,;24.43,-51.56,;24.43,-53.1,;23.1,-53.87,;25.77,-53.87,;23.1,-49.24,;21.77,-48.48,;15.11,-49.24,;15.1,-50.78,;13.78,-48.46,;8.04,-48.29,;9.2,-49.31,;10.66,-48.83,;8.88,-50.82,;7.41,-51.3,;6.26,-50.26,;6.58,-48.77,;5.44,-47.74,)|
CC(C)c1onc(c1COc1ccc(CNc2ccc(CC(O)=O)cc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(33.07,-43.6,;31.6,-43.12,;31.28,-41.61,;30.46,-44.15,;28.94,-43.83,;28.18,-45.17,;29.21,-46.32,;30.61,-45.68,;31.95,-46.45,;33.28,-45.68,;34.62,-46.45,;35.96,-45.67,;37.3,-46.44,;37.29,-48,;38.63,-48.78,;39.96,-48.01,;41.29,-48.78,;41.28,-50.32,;42.61,-51.09,;43.95,-50.32,;45.28,-51.09,;45.28,-52.63,;43.95,-53.4,;46.61,-53.4,;43.95,-48.78,;42.61,-48.01,;35.95,-48.77,;35.95,-50.31,;34.63,-47.99,;28.89,-47.82,;30.04,-48.85,;31.51,-48.36,;29.73,-50.36,;28.26,-50.84,;27.11,-49.8,;27.43,-48.3,;26.28,-47.27,)|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@H](O)C[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O |r|
COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C3CC3)C2=O)cc1 |r|
COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(F)cc4n3C)C2=O)cc1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C2CC2)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C2CC2)CC1 |r|
CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccccc3n2C2CC2)CC1 |r|
OC(=O)c1ccc(cc1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(22.69,-4.55,;22.69,-6.09,;24.02,-6.86,;21.36,-6.86,;21.35,-8.4,;20.02,-9.17,;18.69,-8.4,;18.69,-6.86,;20.02,-6.09,;17.35,-9.16,;17.35,-10.7,;16.02,-11.47,;14.69,-10.7,;14.68,-12.23,;13.35,-11.47,;12.02,-10.7,;10.69,-11.47,;9.36,-10.71,;8.88,-9.25,;7.34,-9.25,;6.87,-10.72,;8.12,-11.62,;8.13,-13.16,;9.47,-13.92,;10.8,-13.15,;9.47,-15.47,;8.14,-16.25,;6.8,-15.47,;6.8,-13.93,;5.47,-13.16,;9.78,-8,;11.18,-7.37,;9.93,-6.47,;14.68,-9.16,;16.02,-8.39,)|
OC(=O)c1ccc2cc(ccc2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(47.85,-4.46,;47.84,-6,;49.18,-6.78,;46.51,-6.77,;46.51,-8.32,;45.17,-9.08,;43.84,-8.3,;42.51,-9.07,;41.18,-8.29,;41.18,-6.76,;42.51,-5.99,;43.85,-6.76,;45.18,-6,;39.85,-9.06,;39.84,-10.6,;38.51,-11.37,;37.18,-10.59,;37.17,-12.13,;35.85,-11.37,;34.51,-10.6,;33.18,-11.37,;31.85,-10.61,;31.37,-9.14,;29.83,-9.15,;29.36,-10.62,;30.61,-11.52,;30.63,-13.06,;31.96,-13.82,;33.29,-13.05,;31.97,-15.37,;30.63,-16.14,;29.29,-15.37,;29.3,-13.83,;27.96,-13.06,;32.27,-7.9,;33.68,-7.27,;32.43,-6.36,;37.17,-9.06,;38.51,-8.29,)|
OC(=O)c1ccc(cn1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(70.09,-3.93,;70.09,-5.47,;71.42,-6.24,;68.76,-6.24,;68.75,-7.78,;67.42,-8.55,;66.09,-7.77,;66.08,-6.24,;67.41,-5.47,;64.75,-8.54,;64.75,-10.08,;63.42,-10.85,;62.09,-10.07,;62.08,-11.61,;60.75,-10.85,;59.42,-10.08,;58.09,-10.85,;56.76,-10.09,;56.28,-8.62,;54.74,-8.63,;54.27,-10.09,;55.51,-11,;55.53,-12.54,;56.87,-13.3,;58.2,-12.53,;56.87,-14.85,;55.53,-15.62,;54.2,-14.85,;54.2,-13.31,;52.87,-12.54,;57.18,-7.37,;58.58,-6.74,;57.33,-5.84,;62.08,-8.54,;63.42,-7.77,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(22.96,-25.34,;22.48,-23.88,;23.39,-22.63,;22.48,-21.39,;22.95,-19.92,;21.93,-18.78,;24.46,-19.6,;21.01,-21.86,;19.67,-21.09,;18.34,-21.86,;18.34,-23.4,;19.67,-24.17,;21.02,-23.4,;17.01,-24.16,;17.01,-25.7,;15.68,-26.47,;14.34,-25.69,;14.33,-27.23,;13.01,-26.47,;11.67,-25.7,;10.34,-26.48,;9.01,-25.71,;8.53,-24.25,;6.99,-24.26,;6.52,-25.72,;7.77,-26.62,;7.79,-28.16,;9.12,-28.93,;10.45,-28.15,;9.12,-30.48,;7.79,-31.25,;6.45,-30.48,;6.46,-28.94,;5.12,-28.16,;9.44,-23,;10.84,-22.36,;9.59,-21.47,;14.33,-24.16,;15.68,-23.39,)|
OC(=O)c1ccc2sc(nc2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(43.57,-17.59,;44.34,-18.92,;45.88,-18.91,;43.57,-20.25,;44.34,-21.59,;43.57,-22.92,;42.04,-22.92,;41,-24.07,;39.6,-23.44,;39.77,-21.9,;41.27,-21.58,;42.04,-20.26,;38.27,-24.21,;38.27,-25.75,;36.94,-26.51,;35.6,-25.74,;35.59,-27.28,;34.27,-26.51,;32.93,-25.75,;31.6,-26.52,;30.27,-25.76,;29.79,-24.29,;28.25,-24.3,;27.78,-25.76,;29.02,-26.66,;29.04,-28.2,;30.37,-28.97,;31.71,-28.19,;30.38,-30.52,;29.05,-31.29,;27.71,-30.52,;27.71,-28.98,;26.38,-28.2,;30.69,-23.04,;32.09,-22.41,;30.84,-21.51,;35.59,-24.2,;36.93,-23.43,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(62.15,-18.56,;62.92,-19.88,;64.46,-19.88,;62.16,-21.22,;62.93,-22.56,;62.16,-23.89,;62.92,-25.23,;60.62,-23.89,;59.59,-25.03,;58.18,-24.4,;58.35,-22.87,;59.85,-22.55,;60.62,-21.22,;56.86,-25.18,;56.85,-26.72,;55.52,-27.48,;54.18,-26.71,;54.18,-28.25,;52.85,-27.48,;51.51,-26.71,;50.18,-27.48,;48.85,-26.72,;48.37,-25.26,;46.83,-25.26,;46.36,-26.73,;47.6,-27.63,;47.63,-29.17,;48.96,-29.94,;50.29,-29.16,;48.96,-31.49,;47.63,-32.26,;46.29,-31.49,;46.3,-29.95,;44.96,-29.17,;49.28,-24.01,;50.67,-23.38,;49.43,-22.47,;54.18,-25.17,;55.52,-24.4,)|
OC(=O)c1ccc2c(n[nH]c2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(78.75,-15.99,;79.78,-17.14,;81.28,-16.82,;79.3,-18.6,;77.79,-18.92,;77.32,-20.38,;78.34,-21.52,;78.17,-23.05,;79.58,-23.68,;80.61,-22.53,;79.85,-21.21,;80.32,-19.75,;76.85,-23.82,;76.84,-25.36,;75.51,-26.13,;74.18,-25.35,;74.17,-26.89,;72.84,-26.13,;71.5,-25.36,;70.17,-26.13,;68.84,-25.37,;68.36,-23.9,;66.82,-23.91,;66.35,-25.37,;67.6,-26.28,;67.62,-27.82,;68.95,-28.58,;70.28,-27.81,;68.95,-30.13,;67.62,-30.91,;66.29,-30.13,;66.29,-28.59,;64.95,-27.82,;69.27,-22.66,;70.67,-22.02,;69.42,-21.13,;74.17,-23.82,;75.51,-23.05,)|
CCn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(23.84,-40.53,;22.51,-39.75,;22.51,-38.21,;23.42,-36.96,;22.51,-35.72,;22.99,-34.26,;21.96,-33.11,;24.49,-33.93,;21.05,-36.2,;19.71,-35.42,;18.38,-36.19,;18.38,-37.73,;19.71,-38.5,;21.05,-37.74,;17.04,-38.49,;17.04,-40.03,;15.71,-40.8,;14.38,-40.03,;14.37,-41.57,;13.04,-40.8,;11.71,-40.03,;10.37,-40.81,;9.05,-40.04,;8.57,-38.58,;7.03,-38.59,;6.56,-40.05,;7.8,-40.95,;7.82,-42.5,;9.15,-43.26,;10.49,-42.48,;9.16,-44.81,;7.82,-45.58,;6.49,-44.82,;6.49,-43.27,;5.16,-42.5,;9.47,-37.33,;10.87,-36.7,;9.62,-35.8,;14.37,-38.49,;15.71,-37.73,)|
OC(=O)c1coc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(44.07,-33.85,;45.1,-34.99,;46.61,-34.67,;44.63,-36.46,;45.54,-37.7,;44.63,-38.95,;43.16,-38.47,;41.82,-39.24,;40.49,-38.47,;40.49,-36.93,;41.82,-36.16,;43.16,-36.93,;39.16,-39.23,;39.16,-40.77,;37.83,-41.54,;36.49,-40.76,;36.48,-42.3,;35.16,-41.54,;33.82,-40.77,;32.49,-41.55,;31.16,-40.78,;30.68,-39.32,;29.14,-39.33,;28.67,-40.79,;29.92,-41.69,;29.93,-43.23,;31.26,-44,;32.6,-43.22,;31.27,-45.55,;29.94,-46.32,;28.6,-45.55,;28.6,-44.01,;27.27,-43.23,;31.58,-38.07,;32.99,-37.43,;31.73,-36.54,;36.48,-39.23,;37.82,-38.46,)|
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(65.02,-33.06,;66.05,-34.21,;67.55,-33.88,;65.57,-35.68,;66.48,-36.92,;65.58,-38.16,;64.11,-37.69,;62.77,-38.46,;61.44,-37.68,;61.44,-36.15,;62.77,-35.37,;64.11,-36.15,;60.11,-38.45,;60.1,-39.99,;58.77,-40.76,;57.44,-39.98,;57.43,-41.52,;56.1,-40.76,;54.77,-39.99,;53.43,-40.76,;52.1,-40,;51.62,-38.54,;50.08,-38.54,;49.61,-40,;50.87,-40.91,;50.88,-42.45,;52.21,-43.22,;53.54,-42.44,;52.22,-44.77,;50.88,-45.54,;49.55,-44.77,;49.55,-43.23,;48.21,-42.45,;52.53,-37.29,;53.93,-36.65,;52.68,-35.75,;57.43,-38.44,;58.77,-37.68,)|
CCn1c(cc2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1)C(O)=O |(85.66,-42.51,;84.34,-41.73,;84.34,-40.19,;85.25,-38.95,;84.34,-37.7,;82.88,-38.18,;81.54,-37.4,;80.21,-38.17,;80.21,-39.71,;81.54,-40.48,;82.88,-39.72,;78.88,-40.48,;78.87,-42.02,;77.54,-42.78,;76.21,-42.01,;76.2,-43.55,;74.88,-42.78,;73.54,-42.01,;72.21,-42.79,;70.88,-42.02,;70.4,-40.56,;68.86,-40.56,;68.39,-42.03,;69.64,-42.93,;69.65,-44.47,;70.99,-45.24,;72.32,-44.46,;71,-46.79,;69.66,-47.56,;68.32,-46.79,;68.33,-45.24,;66.99,-44.47,;71.3,-39.31,;72.7,-38.68,;71.46,-37.78,;76.2,-40.47,;77.54,-39.7,;86.79,-38.94,;87.56,-37.61,;87.56,-40.28,)|
OC(=O)c1cc2ccc(cc2s1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(46.53,-48.05,;45.76,-49.38,;46.53,-50.72,;44.22,-49.38,;43.31,-48.14,;41.85,-48.61,;40.51,-47.84,;39.18,-48.61,;39.18,-50.15,;40.51,-50.92,;41.85,-50.15,;43.32,-50.63,;37.85,-50.91,;37.84,-52.45,;36.51,-53.22,;35.18,-52.45,;35.17,-53.99,;33.85,-53.22,;32.51,-52.45,;31.18,-53.22,;29.85,-52.46,;29.37,-51,;27.83,-51,;27.36,-52.47,;28.61,-53.37,;28.63,-54.91,;29.96,-55.67,;31.29,-54.9,;29.97,-57.23,;28.63,-58,;27.3,-57.23,;27.3,-55.68,;25.96,-54.91,;30.28,-49.75,;31.68,-49.12,;30.43,-48.22,;35.17,-50.91,;36.51,-50.14,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(F)cccc2Cl)C2CC2)CC1 |(22.32,-9.85,;21.85,-8.39,;22.75,-7.14,;21.85,-5.9,;22.32,-4.44,;21.29,-3.29,;23.83,-4.11,;20.38,-6.38,;19.04,-5.6,;17.71,-6.37,;17.71,-7.91,;19.04,-8.68,;20.38,-7.92,;16.38,-8.67,;16.37,-10.21,;15.04,-10.99,;13.71,-10.21,;13.7,-11.75,;12.37,-10.98,;11.04,-10.21,;9.7,-10.99,;8.37,-10.22,;7.9,-8.76,;6.35,-8.77,;5.89,-10.23,;7.14,-11.13,;7.15,-12.68,;5.82,-13.45,;4.48,-12.68,;5.82,-15,;7.15,-15.76,;8.49,-15,;8.48,-13.44,;9.81,-12.66,;8.8,-7.51,;10.2,-6.88,;8.95,-5.98,;13.7,-8.67,;15.04,-7.9,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2F)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2Cl)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2cccc(OC(F)(F)F)c2)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccc(OC(F)(F)F)cc2)C2CC2)CC1
CCn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2c(F)cccc2Cl)C2CC2)CC1 |(19.85,-41.33,;20.88,-40.19,;20.41,-38.72,;21.31,-37.47,;20.41,-36.23,;20.88,-34.77,;19.85,-33.62,;22.39,-34.44,;18.94,-36.71,;17.6,-35.93,;16.27,-36.71,;16.27,-38.24,;17.6,-39.01,;18.94,-38.25,;14.94,-39.01,;14.93,-40.55,;13.6,-41.32,;12.27,-40.54,;12.26,-42.08,;10.93,-41.32,;9.6,-40.54,;8.26,-41.32,;6.93,-40.55,;6.46,-39.1,;4.91,-39.1,;4.44,-40.56,;5.7,-41.47,;5.71,-43.01,;4.38,-43.78,;3.05,-43.02,;4.38,-45.33,;5.71,-46.1,;7.05,-45.33,;7.04,-43.78,;8.37,-43.01,;7.36,-37.85,;8.76,-37.21,;7.51,-36.31,;12.26,-39,;13.6,-38.24,)|
CCn1cc(C(O)=O)c2ccc(cc12)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2ccccc2F)C2CC2)CC1
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2cccc(OC(F)(F)F)c2)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2c(F)cccc2Cl)C2CC2)CC1 |(42.38,-6.45,;43.15,-7.77,;44.68,-7.77,;42.38,-9.11,;43.16,-10.44,;42.39,-11.77,;43.15,-13.1,;40.85,-11.76,;39.83,-12.9,;38.43,-12.28,;38.59,-10.75,;40.09,-10.43,;40.86,-9.11,;37.1,-13.04,;37.09,-14.59,;35.76,-15.36,;34.42,-14.58,;34.42,-16.12,;33.09,-15.36,;31.75,-14.58,;30.41,-15.36,;29.08,-14.59,;28.6,-13.13,;27.06,-13.14,;26.59,-14.6,;27.84,-15.51,;27.86,-17.05,;26.53,-17.83,;25.2,-17.06,;26.52,-19.38,;27.86,-20.14,;29.2,-19.37,;29.19,-17.82,;30.52,-17.05,;29.51,-11.88,;30.91,-11.25,;29.66,-10.35,;34.42,-13.04,;35.76,-12.27,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2F)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2Cl)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2cccc(OC(F)(F)F)c2)C2CC2)CC1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccc(OC(F)(F)F)cc2)C2CC2)CC1
Cn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:10:13:19.43.18:15.16|
CCn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:11:14:20.44.19:16.17|
OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:8:12:18.42.17:14.15|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2 |TLB:9:13:19.43.18:15.16|
Cc1cc(C(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C
Cc1nc(CCC(O)=O)oc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1nnc(CCC(O)=O)o1
Cn1nc(CCC(O)=O)cc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1cc(CCC(O)=O)n[nH]1
CC(C)(C)c1ccc(cc1)-c1cn(CCC(O)=O)nn1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)-c1ccccc1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccccc2)cc1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)C(C)(C)C
Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C
Cc1cc(CCC(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)C(F)(F)F
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)N1CCOCC1
FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCN(CC1)C(=O)Nc1ccccc1
CNC(=O)c1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
CNC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
COC(=O)c1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
COC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
CCOC(=O)c1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
CCOC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
COc1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
COc1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
OC(=O)c1ccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
OC(=O)c1cccc(NC(=O)N2CCC(CC2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c1
CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CCc2ccc(F)cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(9.08,-15.78,;10.11,-14.62,;11.61,-14.93,;9.62,-13.16,;8.15,-12.7,;8.14,-11.16,;9.6,-10.67,;10.51,-11.91,;12.05,-11.9,;12.82,-13.23,;14.36,-13.22,;15.15,-14.56,;16.68,-14.55,;17.44,-13.21,;18.97,-13.21,;19.88,-14.45,;21.35,-13.97,;22.68,-14.74,;24.02,-13.97,;24.01,-12.41,;22.68,-11.65,;21.34,-12.43,;19.87,-11.96,;19.39,-10.49,;20.42,-9.35,;19.94,-7.88,;20.97,-6.74,;20.49,-5.28,;18.98,-4.96,;18.49,-3.5,;17.95,-6.12,;18.44,-7.58,;25.34,-11.64,;26.68,-12.4,;25.34,-10.1,;16.67,-11.88,;17.43,-10.54,;15.13,-11.89,;10.07,-9.21,;11.58,-8.89,;12.61,-10.03,;12.05,-7.42,;11.02,-6.28,;9.5,-6.61,;9.04,-8.08,;7.54,-8.41,)|
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)C(=O)O
OC(=O)c1ccc(OCc2ccc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)cc2)cc1 |(49.33,-5.74,;48.19,-4.71,;48.5,-3.2,;46.72,-5.19,;46.4,-6.7,;44.94,-7.17,;43.8,-6.14,;42.34,-6.62,;41.19,-5.59,;39.73,-6.06,;39.41,-7.57,;37.94,-8.05,;36.81,-7.02,;35.34,-7.49,;34.2,-6.46,;32.73,-6.94,;32.26,-8.4,;30.72,-8.4,;30.24,-6.94,;31.49,-6.03,;31.48,-4.49,;30.15,-3.71,;28.82,-4.48,;30.15,-2.17,;31.48,-1.4,;32.82,-2.16,;32.82,-3.71,;34.16,-4.48,;33.16,-9.65,;33.32,-11.17,;34.57,-10.27,;37.11,-5.51,;38.57,-5.03,;44.11,-4.64,;45.57,-4.16,)|
OC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
OC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1
OC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
OC(=O)COc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
CC(Oc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1)C(O)=O
CC(C)(Oc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1)C(O)=O
Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C(O)=O
Cc1ccc(NC(=O)c2cccc(c2)C(O)=O)cc1
OC(=O)c1cccc(OCc2ccc(Oc3ccccc3)cc2)c1
COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(O)=O
COc1ccccc1C(=O)Nc1cccc(c1)C(O)=O
COc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
COc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
CCOc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CCCOc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CCCCOc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CCCCOc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
CCCCCOc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CCCCCOc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
CC(C)COc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CC(C)COc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
CC(C)CCOc1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
CC(C)CCOc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
OC(=O)c1cccc(NC(=O)c2cccc(OCC3CC3)c2)c1
OC(=O)c1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1
OC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
Cc1cccc(COc2ccc(cc2)C(=O)Nc2cccc(c2)C(O)=O)c1
Cc1ccc(COc2ccc(cc2)C(=O)Nc2cccc(c2)C(O)=O)cc1
OC(=O)c1cccc(NC(=O)c2ccc(OCc3cccc(c3)-c3ccccc3)cc2)c1
Cc1ccccc1-c1cccc(COc2ccc(cc2)C(=O)Nc2cccc(c2)C(O)=O)c1
CO\N=C(\COc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O)c1ccccc1
OC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1
Cc1cccc(COc2cccc(c2)C(=O)Nc2cccc(c2)C(O)=O)c1
Cc1ccc(COc2cccc(c2)C(=O)Nc2cccc(c2)C(O)=O)cc1
OC(=O)c1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1
OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2ccccc2)c1
Cc1ccccc1-c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
Cc1nc(sc1C(=O)Nc1cccc(c1)C(O)=O)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cccc(NC(=O)c2csc(n2)-c2ccc(cc2)C(F)(F)F)c1
OC(=O)c1cccc(NC(=O)c2nc(cs2)-c2ccccc2)c1
Cc1cc(nn1-c1ccccc1)C(=O)Nc1cccc(c1)C(O)=O
CCCCOc1cccc(c1)-c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cccc(OCC3CC3)c2)c1
OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cccc(OCc3ccccc3)c2)c1
OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cccc(OCCc3ccccc3)c2)c1
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(COC(O2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(21.9,-2.56,;22.67,-3.89,;24.21,-3.89,;21.9,-5.22,;22.68,-6.56,;21.9,-7.89,;22.67,-9.23,;20.37,-7.89,;19.34,-9.03,;17.94,-8.4,;18.1,-6.87,;19.6,-6.55,;20.37,-5.23,;16.6,-9.17,;16.59,-10.71,;15.27,-11.47,;13.94,-10.7,;13.95,-12.24,;12.49,-12.72,;11.57,-11.49,;12.48,-10.23,;10.03,-11.49,;9.55,-10.03,;8.01,-10.03,;7.54,-11.5,;8.8,-12.4,;8.81,-13.95,;7.48,-14.72,;6.14,-13.95,;7.47,-16.26,;8.81,-17.03,;10.15,-16.26,;10.14,-14.71,;11.47,-13.93,;10.45,-8.78,;11.86,-8.15,;10.61,-7.25,;13.93,-9.17,;15.27,-8.4,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC1)OCC(O2)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(41.49,-2.38,;42.26,-3.72,;43.81,-3.71,;41.5,-5.05,;42.27,-6.39,;41.5,-7.72,;42.27,-9.06,;39.96,-7.72,;38.93,-8.86,;37.53,-8.23,;37.69,-6.7,;39.2,-6.38,;39.96,-5.06,;36.2,-9,;36.19,-10.54,;34.86,-11.3,;33.53,-10.53,;33.53,-9,;34.86,-8.23,;33.55,-12.07,;32.08,-12.55,;31.17,-11.32,;32.07,-10.06,;29.63,-11.32,;29.15,-9.86,;27.61,-9.86,;27.14,-11.33,;28.4,-12.23,;28.4,-13.77,;27.07,-14.55,;25.74,-13.77,;27.07,-16.09,;28.4,-16.86,;29.74,-16.09,;29.74,-14.54,;31.07,-13.76,;30.05,-8.61,;31.45,-7.98,;30.2,-7.08,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(CCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(63.08,-10.41,;62.54,-11.86,;63.53,-13.04,;61.03,-12.12,;60.49,-13.57,;58.98,-13.82,;58.44,-15.27,;58,-12.64,;56.46,-12.58,;56.05,-11.1,;57.33,-10.24,;58.54,-11.2,;60.05,-10.94,;54.61,-10.56,;53.42,-11.54,;51.99,-11.01,;51.73,-9.49,;50.29,-8.96,;49.15,-9.99,;47.68,-9.53,;47.2,-8.06,;45.66,-8.07,;45.19,-9.53,;46.45,-10.44,;46.45,-11.98,;45.13,-12.75,;43.79,-11.98,;45.12,-14.29,;46.46,-15.06,;47.79,-14.29,;47.79,-12.74,;49.12,-11.97,;48.1,-6.82,;49.5,-6.18,;48.25,-5.28,;52.91,-8.51,;54.35,-9.05,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(CC1)\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(85.99,-8.78,;85.46,-10.22,;86.44,-11.41,;83.94,-10.49,;83.4,-11.93,;81.89,-12.19,;81.35,-13.63,;80.91,-11.01,;79.37,-10.94,;78.96,-9.47,;80.24,-8.61,;81.45,-9.57,;82.96,-9.31,;77.52,-8.93,;76.33,-9.9,;74.9,-9.37,;74.64,-7.86,;75.82,-6.87,;77.26,-7.41,;73.2,-7.32,;72.06,-8.36,;70.59,-7.89,;70.11,-6.43,;68.57,-6.44,;68.1,-7.9,;69.36,-8.8,;69.36,-10.34,;68.03,-11.12,;66.7,-10.35,;68.03,-12.66,;69.37,-13.43,;70.7,-12.66,;70.7,-11.11,;72.03,-10.33,;71.01,-5.18,;72.41,-4.55,;71.16,-3.65,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(20.46,-25.45,;19.93,-26.89,;20.92,-28.07,;18.41,-27.15,;17.88,-28.6,;16.36,-28.86,;15.83,-30.3,;15.38,-27.68,;13.85,-27.61,;13.44,-26.14,;14.72,-25.28,;15.92,-26.23,;17.43,-25.98,;11.99,-25.6,;10.81,-26.57,;10.38,-25.47,;10.79,-24.49,;11.74,-24.08,;10.29,-23.54,;9.12,-24.53,;9.37,-26.04,;7.67,-23.99,;6.53,-25.03,;5.07,-24.56,;4.59,-23.1,;3.05,-23.1,;2.57,-24.57,;3.83,-25.47,;3.84,-27.01,;2.51,-27.78,;1.18,-27.01,;2.51,-29.33,;3.84,-30.1,;5.18,-29.33,;5.17,-27.78,;6.5,-27,;5.48,-21.85,;6.89,-21.22,;5.64,-20.32,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CC2C(C1)C2\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(42.9,-26.68,;42.37,-28.13,;43.36,-29.31,;40.85,-28.39,;40.32,-29.84,;38.8,-30.1,;38.27,-31.54,;37.82,-28.91,;36.29,-28.85,;35.88,-27.37,;37.16,-26.51,;38.36,-27.47,;39.87,-27.21,;34.43,-26.83,;33.25,-27.81,;31.81,-27.28,;32.73,-24.77,;34.18,-25.32,;31.56,-25.76,;30.11,-25.23,;28.97,-26.27,;27.51,-25.8,;27.03,-24.34,;25.49,-24.34,;25.01,-25.81,;26.27,-26.71,;26.28,-28.25,;24.95,-29.02,;23.62,-28.25,;24.95,-30.56,;26.28,-31.34,;27.62,-30.56,;27.61,-29.01,;28.94,-28.24,;27.92,-23.09,;29.33,-22.46,;28.08,-21.56,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(63.68,-24.41,;63.98,-25.92,;65.43,-26.42,;62.82,-26.93,;63.11,-28.45,;61.95,-29.46,;62.24,-30.97,;60.5,-28.95,;59.15,-29.7,;58.03,-28.65,;58.68,-27.25,;60.21,-27.44,;61.37,-26.44,;56.52,-28.94,;56.01,-30.39,;54.51,-30.68,;53.5,-29.52,;52.49,-28.35,;51.33,-29.37,;52.34,-30.53,;49.79,-29.26,;49.31,-27.8,;47.77,-27.8,;47.3,-29.27,;48.56,-30.17,;48.56,-31.71,;47.23,-32.48,;45.9,-31.71,;47.23,-34.02,;48.56,-34.8,;49.9,-34.02,;49.9,-32.47,;51.23,-31.7,;50.21,-26.55,;51.61,-25.92,;50.36,-25.02,;54,-28.06,;55.51,-27.78,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |(83.32,-23.3,;83.61,-24.81,;85.07,-25.31,;82.45,-25.82,;82.75,-27.34,;81.59,-28.34,;81.88,-29.86,;80.14,-27.84,;78.79,-28.59,;77.67,-27.54,;78.32,-26.14,;79.85,-26.33,;81,-25.33,;76.16,-27.83,;75.65,-29.28,;74.15,-29.57,;73.14,-28.41,;71.98,-29.42,;70.97,-28.25,;72.13,-27.24,;69.42,-28.15,;68.94,-26.69,;67.4,-26.69,;66.93,-28.16,;68.19,-29.06,;68.2,-30.6,;66.87,-31.37,;65.53,-30.6,;66.87,-32.91,;68.2,-33.69,;69.54,-32.91,;69.53,-31.36,;70.86,-30.59,;69.84,-25.44,;71.25,-24.81,;70,-23.9,;73.64,-26.95,;75.15,-26.66,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1 |c:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1 |c:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(62.93,-39.17,;63.22,-40.68,;64.68,-41.18,;62.06,-41.69,;62.36,-43.21,;61.2,-44.21,;61.49,-45.72,;59.75,-43.71,;58.4,-44.45,;57.28,-43.4,;57.93,-42.01,;59.46,-42.2,;60.61,-41.19,;55.77,-43.69,;55.26,-45.14,;53.76,-45.43,;52.75,-44.27,;51.74,-43.11,;50.57,-44.12,;51.59,-45.29,;49.04,-44.02,;48.56,-42.55,;47.02,-42.56,;46.54,-44.02,;47.8,-44.93,;47.81,-46.47,;46.48,-47.24,;45.15,-46.47,;46.48,-48.78,;47.81,-49.55,;49.15,-48.78,;49.14,-47.23,;50.48,-46.46,;49.45,-41.3,;50.86,-40.67,;49.61,-39.77,;53.25,-42.82,;54.76,-42.53,)|
OC(=O)c1ccc(nc1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(83.26,-41.06,;82.76,-42.51,;83.77,-43.67,;81.25,-42.8,;80.74,-44.26,;79.23,-44.55,;78.23,-43.38,;78.72,-41.93,;80.23,-41.63,;76.71,-43.66,;76.21,-45.11,;74.71,-45.4,;73.7,-44.24,;72.68,-43.08,;71.52,-44.09,;72.53,-45.26,;69.98,-43.99,;69.5,-42.52,;67.96,-42.53,;67.49,-43.99,;68.75,-44.9,;68.76,-46.44,;67.43,-47.21,;66.09,-46.44,;67.42,-48.75,;68.76,-49.52,;70.1,-48.75,;70.09,-47.2,;71.42,-46.43,;70.4,-41.28,;71.8,-40.65,;70.56,-39.74,;74.2,-42.79,;75.71,-42.5,)|
OC(=O)c1ccc(cn1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(18.17,-3.86,;17.66,-5.32,;18.67,-6.48,;16.15,-5.61,;15.64,-7.07,;14.13,-7.36,;13.13,-6.18,;13.63,-4.74,;15.14,-4.44,;11.62,-6.47,;11.11,-7.92,;9.61,-8.21,;8.6,-7.05,;7.59,-5.89,;6.42,-6.9,;7.44,-8.07,;4.89,-6.8,;4.41,-5.33,;2.87,-5.34,;2.4,-6.8,;3.65,-7.71,;3.66,-9.25,;2.33,-10.02,;1,-9.25,;2.33,-11.56,;3.66,-12.33,;5,-11.56,;4.99,-10.01,;6.33,-9.24,;5.3,-4.08,;6.71,-3.45,;5.46,-2.55,;9.1,-5.6,;10.61,-5.31,)|
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(36.91,-2.29,;37.51,-3.71,;39.01,-4.06,;39.14,-5.6,;40.46,-6.39,;41.81,-5.65,;40.43,-7.93,;37.72,-6.19,;37.22,-7.65,;35.71,-7.94,;34.71,-6.77,;35.2,-5.32,;36.71,-5.03,;33.19,-7.06,;32.69,-8.51,;31.19,-8.8,;30.18,-7.64,;29.16,-6.47,;28,-7.49,;29.01,-8.65,;26.46,-7.38,;25.98,-5.92,;24.44,-5.92,;23.97,-7.39,;25.23,-8.29,;25.23,-9.83,;23.91,-10.6,;22.57,-9.83,;23.9,-12.15,;25.24,-12.92,;26.58,-12.14,;26.57,-10.59,;27.9,-9.82,;26.88,-4.67,;28.28,-4.04,;27.04,-3.14,;30.68,-6.18,;32.19,-5.9,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(64.45,-5.17,;63.95,-6.63,;64.97,-7.78,;62.44,-6.93,;61.95,-8.39,;60.44,-8.69,;59.43,-7.53,;57.92,-7.82,;56.92,-6.65,;57.41,-5.2,;58.92,-4.91,;59.93,-6.08,;61.43,-5.78,;55.4,-6.94,;54.9,-8.39,;53.4,-8.68,;52.38,-7.52,;51.37,-6.36,;50.21,-7.37,;51.22,-8.53,;48.67,-7.26,;48.19,-5.8,;46.65,-5.8,;46.18,-7.27,;47.44,-8.17,;47.44,-9.71,;46.11,-10.48,;44.78,-9.72,;46.11,-12.03,;47.45,-12.8,;48.78,-12.03,;48.78,-10.48,;50.11,-9.7,;49.09,-4.55,;50.49,-3.92,;49.24,-3.02,;52.88,-6.07,;54.4,-5.78,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)CC1 |c:20,(85.71,-10.01,;85.22,-11.47,;86.23,-12.63,;83.71,-11.78,;83.21,-13.24,;81.7,-13.54,;80.69,-12.38,;79.18,-12.67,;78.18,-11.5,;78.67,-10.05,;80.18,-9.76,;81.19,-10.92,;82.69,-10.62,;76.67,-11.79,;76.16,-13.24,;74.66,-13.53,;73.65,-12.37,;72.63,-11.2,;71.47,-12.21,;72.48,-13.38,;69.93,-12.11,;69.45,-10.65,;67.91,-10.65,;67.44,-12.12,;68.7,-13.02,;68.71,-14.56,;67.38,-15.33,;66.04,-14.56,;67.38,-16.87,;68.71,-17.65,;68.71,-19.19,;70.05,-16.87,;70.04,-15.32,;71.37,-14.55,;70.35,-9.4,;71.76,-8.77,;70.51,-7.87,;74.15,-10.91,;75.66,-10.62,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(20.66,-21.73,;20.16,-23.19,;21.18,-24.34,;18.65,-23.49,;18.16,-24.95,;16.65,-25.25,;15.64,-24.09,;14.13,-24.38,;13.12,-23.21,;13.62,-21.76,;15.13,-21.47,;16.14,-22.64,;17.64,-22.34,;11.61,-23.5,;11.11,-24.95,;9.6,-25.24,;8.59,-24.08,;7.58,-22.92,;6.42,-23.93,;7.43,-25.09,;4.88,-23.82,;4.4,-22.36,;2.86,-22.36,;2.39,-23.83,;3.65,-24.73,;3.65,-26.27,;2.32,-27.04,;.99,-26.27,;2.32,-28.59,;3.66,-29.36,;4.99,-28.59,;4.99,-27.04,;6.32,-26.26,;5.3,-21.11,;6.7,-20.48,;5.45,-19.58,;9.09,-22.63,;10.61,-22.34,)|
OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
CC(C)(O)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCCC2)c(Cl)c1
CC(C)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C2(CC2)C(F)(F)F)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)c(Cl)c1
CN(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1
CCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)C(F)(F)F)c(Cl)c1
CCOc1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCCCC2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C23CC(C2)C3)c(Cl)c1
CC(C)Oc1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CC(F)(F)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(=O)(=O)C2CC2)cc1Cl
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(CC(F)(F)F)cc2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCOCC2)c(Cl)c1
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCC2)c(Cl)c1
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1([H])[C@]2([H])CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C)C(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)OCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)NCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OS(=O)(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OS(=O)(=O)NCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)C(C)C)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)C4CC4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)C4CCC4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)C4CCCC4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)c4ccccc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)c4ccc(F)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)c4ccc(OC)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)c4ccco4)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)N[C@@H](C)C(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCS(O)(=O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)NC(=O)OCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)NC(=O)NCC(O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(=O)NS(C)(=O)=O)C(C)C |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(C)=O |r|
[H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)NCC(O)=O)[C@@H](C)CO |r|
[H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(=O)NCC(O)=O)[C@@H](C)C(O)=O |r|
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCC(O)=O)C(=O)CO |r|
COC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(OC)cc2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1cc(OC)cc(OC)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C1CCCCC1
CCOC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1
COC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C(C)C
CCOC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
CC(C)(C)OC(=O)CCc1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(OC)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C3C(C3(Cl)Cl)C(C)(C)Oc2c1OC)C(=O)c1ccccc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OS(C)(=O)=O)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1O)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(=O)c1ccccc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccccc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C(C)C
COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1ccc(s1)C(C)=O)C(=O)C1CCCCC1 |w:4.3|
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(C)=O)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)NC(C)C
CCOC(=O)COc1cc(\C=C\C(=O)OC(C)(C)C)ccc1CN(C(=O)C1CCCCC1)c1cccc(\C=C\C(=O)OC)c1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1Br)C(=O)C1CCCCC1
CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C1CCCCC1
COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1cccc(c1)C(C)=O)C(=O)C1CCCCC1 |w:4.3|
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)C(C)C
CCOc1cccc(c1)-c1ccc(CN(C(=O)C(C)C)c2cccc(\C=C\C(=O)OC)c2)cc1
CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(N)=O)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OCc1ccccc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(NC(=O)C2CCCCC2)c1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OCc2ccccc2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)N(C)C)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(C)C(=O)C1CCCCC1
CCOC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(Br)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C1CCCCC1
CCOc1cccc(c1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NCc1ccccc1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C=CC(C)(C)Oc2c1OC)C(=O)C1CCCCC1 |c:19|
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(F)cccc2F)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(Br)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(C(=O)C1CCCCC1)c1ccc2ccccc2c1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)NC(C)(C)C)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)NC(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)s1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccco1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(O)=O)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N1CCC1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N1CCCC1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)N1CCOCC1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(OC)cc1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1ccc(cc1)C1CC1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(C)no1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
COc1cccc(c1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
COc1cc(ccn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
CCOc1cc(no1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
CCOC(=O)c1coc(n1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
CCOC(=O)c1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)C(=O)C1CCCCC1
CCOC(=O)c1nc(cs1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1cnc(OC)o1)C(=O)C1CCCCC1
O=C(C1CCCCC1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC1(F)CCC(CC1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
CN1CCC(CC1)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
O=C(C1CCS(=O)(=O)CC1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
O=C(C1CCOCC1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
FC12CC(C1)(C2)C(=O)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
CC(C)(C)c1noc(n1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nc(no3)C3CC3)(CC1)CC2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
CC(F)(F)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)N3CCC(O)CC3)(CC1)CC2
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)[C@H]1C[C@@](C)(O)C1 |r,wD:36.40,38.44,(-10.08,-5.79,;-8.75,-5.02,;-8.75,-3.48,;-7.42,-2.71,;-6.08,-3.47,;-4.75,-2.7,;-4.76,-1.16,;-6.1,-.39,;-7.43,-1.18,;-3.43,-.38,;-2.09,-1.15,;-.76,-.37,;-.76,1.17,;-2.1,1.94,;-3.43,1.17,;-2.1,3.48,;-.77,4.25,;.57,3.48,;1.9,4.25,;3.23,3.48,;3.23,1.94,;1.9,1.17,;.57,1.94,;2.14,1.86,;1.13,2.31,;4.57,1.17,;4.73,-.36,;6.23,-.68,;7,.65,;5.97,1.79,;8.54,.65,;9.31,1.98,;9.31,-.68,;10.08,.65,;-3.44,4.25,;-3.44,5.79,;-4.77,3.48,;-6.1,4.25,;-6.89,2.89,;-8.37,2.49,;-7.97,3.98,;-5.55,2.12,)|
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)[C@H]1C[C@@](O)(C1)C(F)(F)F |r,wD:36.40,38.43,(-10.08,-5.79,;-8.75,-5.02,;-8.75,-3.48,;-7.42,-2.71,;-6.08,-3.47,;-4.75,-2.7,;-4.76,-1.16,;-6.1,-.39,;-7.43,-1.18,;-3.43,-.38,;-2.09,-1.15,;-.76,-.37,;-.76,1.17,;-2.1,1.94,;-3.43,1.17,;-2.1,3.48,;-.77,4.25,;.57,3.48,;1.9,4.25,;3.23,3.48,;3.23,1.94,;1.9,1.17,;.57,1.94,;2.14,1.86,;1.13,2.31,;4.57,1.17,;4.73,-.36,;6.23,-.68,;7,.65,;5.97,1.79,;8.54,.65,;9.31,1.98,;9.31,-.68,;10.08,.65,;-3.44,4.25,;-3.44,5.79,;-4.77,3.48,;-6.1,4.25,;-6.89,2.89,;-7.97,3.98,;-5.55,2.12,;-8.37,2.49,;-8.77,1.01,;-9.46,3.58,;-9.86,2.09,)|
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](C)(O)C3)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.21,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.44,3.86,;-3.44,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-8.37,2.11,;-7.97,3.6,;-5.55,1.74,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.42,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-8.75,-5.4,;-10.08,-3.09,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.20,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.43,3.86,;-3.43,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-7.97,3.6,;-5.55,1.74,;-8.37,2.11,;-9.46,3.2,;-9.91,2.11,;-8.77,.62,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.41,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-10.08,-3.09,;-8.75,-5.4,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc-2c(CCc3cc(ccc-23)N(C)C)c1)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2c(ccc3cc(ccc23)N(C)C)c1)C(=O)C1CCCCC1
COCc1cc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)ccc1-c1ccc(cc1)N(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1C)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1F)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1Cl)N(C)C)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(c(c1)C#N)-c1ccc(cc1C#N)N(C)C)C(=O)C1CCCCC1
CCOC(=O)\C=C\c1cccc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CC(C)OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CCOC(=O)\C=C\c1cc(F)cc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CC(C)OC(=O)\C=C\c1cc(F)cc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
COC(=O)\C=C\c1cc(ccc1F)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CCOC(=O)\C=C\c1cc(ccc1F)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CC(C)OC(=O)\C=C\c1cc(ccc1F)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
COC(=O)\C=C\c1cccc(N(Cc2ccc(-c3ccc(cc3)N(C)C)c(c2)C#N)C(=O)C2CCCCC2)c1F
CCOC(=O)\C=C\c1cccc(N(Cc2ccc(-c3ccc(cc3)N(C)C)c(c2)C#N)C(=O)C2CCCCC2)c1F
CC(C)OC(=O)\C=C\c1cccc(N(Cc2ccc(-c3ccc(cc3)N(C)C)c(c2)C#N)C(=O)C2CCCCC2)c1F
COC(=O)\C=C\c1ccc(F)c(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CCOC(=O)\C=C\c1ccc(F)c(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC3CC3)c2)cc1C#N
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OCF)c2)cc1C#N
COC(=O)\C=C\c1cc(F)cc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCc2ccc(cc2)C(O)=O)cc1
CCc1oc2ccccc2c1C(=O)c1ccc(OCc2cccc(c2)C(O)=O)cc1
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2cccc(OCC(O)=O)c2)c(Br)c1
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCCCC(O)=O)c(Br)c1
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OCc2ccc(cc2)C(O)=O)c(Br)c1
OC(=O)c1ccc2CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)cnc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
OC(=O)c1ccc2CCc3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ncc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
CC1=Cc2nc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc2Oc2cc(ccc12)C(O)=O |t:1,(-4.41,-4.02,;-3.64,-2.69,;-2.1,-2.69,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-7.91,1.73,;-9.4,1.33,;-7.52,3.22,)|
CC1Cc2nc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc2Oc2cc(ccc12)C(O)=O |(-4.41,-4.02,;-3.64,-2.69,;-2.1,-2.69,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-7.91,1.73,;-9.4,1.33,;-7.52,3.22,)|
OC(=O)c1ccc2CC3(CC3)c3nc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc3Oc2c1 |(-9.4,1.33,;-7.91,1.73,;-7.52,3.22,;-6.83,.64,;-7.18,-.85,;-6.06,-1.91,;-4.59,-1.47,;-3.64,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-3.46,;-1.13,-1.51,;.34,-1.97,;1.47,-.93,;2.96,-1.33,;4.05,-.24,;5.53,-.64,;6.08,-2.07,;7.62,-1.99,;8.02,-.51,;6.73,.33,;6.73,1.87,;8.07,2.64,;9.4,1.88,;8.06,4.18,;6.73,4.95,;5.4,4.18,;5.4,2.64,;4.06,1.87,;5.31,-3.41,;3.98,-4.18,;5.31,-4.95,;1.13,.56,;-.33,1.02,;-1.46,-.01,;-2.84,.67,;-4.23,.03,;-5.35,1.09,)|
CC(C)c1snc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-4.54,3.54,;-6.08,3.54,;-6.85,4.87,;-6.85,2.2,;-8.34,2.05,;-8.69,.52,;-7.35,-.25,;-6.23,.78,;-4.74,.39,;-3.65,1.47,;-2.16,1.08,;-1.76,-.42,;-.27,-.81,;.81,.28,;2.3,-.12,;3.39,.97,;4.87,.57,;5.27,-.92,;6.76,-1.31,;7.84,-.23,;7.44,1.26,;5.96,1.66,;8.53,2.35,;10.02,1.95,;8.14,3.84,;.41,1.77,;1.5,2.85,;-1.07,2.16,;-7.35,-1.79,;-8.69,-2.56,;-10.02,-1.79,;-8.69,-4.11,;-7.35,-4.87,;-6.03,-4.1,;-6.03,-2.56,;-4.69,-1.79,)|
CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)cc1C(F)(F)F |(2.5,-1.71,;2.1,-.22,;3.19,.86,;4.67,.47,;5.76,1.55,;7.25,1.16,;7.64,-.33,;6.56,-1.42,;5.07,-1.03,;9.13,-.73,;9.53,-2.22,;10.22,.36,;.61,.17,;-.47,-.91,;-1.96,-.52,;-2.36,.97,;-3.85,1.37,;-4.94,.28,;-6.43,.68,;-7.05,2.1,;-8.54,1.95,;-8.89,.41,;-7.55,-.36,;-7.55,-1.9,;-6.22,-2.66,;-4.89,-1.89,;-6.22,-4.2,;-7.55,-4.97,;-8.89,-4.21,;-8.89,-2.66,;-10.22,-1.89,;-6.28,3.43,;-4.94,4.2,;-6.27,4.97,;-1.27,2.06,;.21,1.66,;1.3,2.75,;.9,4.24,;2.79,2.35,;2.39,3.84,)|
CC(C)c1snc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(-7.05,4.87,;-6.28,3.54,;-4.73,3.54,;-7.05,2.2,;-8.54,2.05,;-8.89,.52,;-7.55,-.25,;-6.43,.78,;-4.94,.39,;-3.85,1.47,;-2.36,1.08,;-1.96,-.42,;-.47,-.81,;.61,.28,;2.1,-.12,;2.5,-1.61,;3.19,.97,;4.67,.57,;5.76,1.66,;7.25,1.26,;7.64,-.23,;6.56,-1.31,;5.07,-.92,;9.13,-.63,;9.53,-2.11,;10.22,.46,;.21,1.77,;-1.27,2.16,;1.3,2.85,;.9,4.34,;2.79,2.46,;2.39,3.94,;-7.55,-1.79,;-6.22,-2.56,;-4.89,-1.79,;-6.22,-4.1,;-7.55,-4.87,;-8.89,-4.11,;-8.89,-2.56,;-10.22,-1.79,)|
CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C(C)C)nc1C(F)(F)F |(3.98,-2.01,;2.5,-1.61,;2.1,-.12,;3.19,.97,;4.67,.57,;5.76,1.66,;7.25,1.26,;7.64,-.23,;6.56,-1.31,;5.07,-.92,;9.13,-.63,;9.53,-2.11,;10.22,.46,;.61,.28,;-.47,-.81,;-1.96,-.42,;-2.36,1.08,;-3.85,1.47,;-4.94,.39,;-6.43,.78,;-7.05,2.2,;-8.54,2.05,;-8.89,.52,;-7.55,-.25,;-7.55,-1.79,;-6.22,-2.56,;-4.89,-1.79,;-6.22,-4.1,;-7.55,-4.87,;-8.89,-4.11,;-8.89,-2.56,;-10.22,-1.79,;-6.28,3.54,;-7.05,4.87,;-4.73,3.54,;-1.27,2.16,;.21,1.77,;1.3,2.85,;.9,4.34,;2.79,2.46,;2.39,3.94,)|
CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(2.69,-1.71,;2.3,-.22,;3.39,.86,;4.87,.47,;5.27,-1.03,;6.76,-1.42,;7.84,-.33,;7.44,1.16,;5.96,1.55,;8.53,2.24,;10.02,1.85,;8.13,3.73,;.81,.17,;-.27,-.91,;-1.76,-.52,;-2.16,.97,;-3.65,1.37,;-4.74,.28,;-6.23,.68,;-6.85,2.1,;-8.34,1.95,;-8.69,.41,;-7.35,-.36,;-7.35,-1.9,;-6.03,-2.66,;-4.69,-1.89,;-6.03,-4.2,;-7.35,-4.97,;-8.69,-4.21,;-8.69,-2.66,;-10.02,-1.89,;-6.08,3.43,;-4.74,4.2,;-6.07,4.97,;-1.07,2.06,;.41,1.66,;1.5,2.75,;1.1,4.24,;2.99,2.35,;2.59,3.84,)|
CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(2.5,-1.71,;2.1,-.22,;3.19,.86,;4.67,.47,;5.76,1.55,;7.25,1.16,;7.64,-.33,;6.56,-1.42,;5.07,-1.03,;9.13,-.73,;9.53,-2.22,;10.22,.36,;.61,.17,;-.47,-.91,;-1.96,-.52,;-2.36,.97,;-3.85,1.37,;-4.94,.28,;-6.43,.68,;-7.05,2.1,;-8.54,1.95,;-8.89,.41,;-7.55,-.36,;-7.55,-1.9,;-6.22,-2.66,;-4.89,-1.89,;-6.22,-4.2,;-7.55,-4.97,;-8.89,-4.21,;-8.89,-2.66,;-10.22,-1.89,;-6.28,3.43,;-4.94,4.2,;-6.27,4.97,;-1.27,2.06,;.21,1.66,;1.3,2.75,;.9,4.24,;2.79,2.35,;2.39,3.84,)|
CN(Cc1cccc(c1)C(=O)NO)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(2.15,-1.71,;1.75,-.22,;2.84,.86,;4.33,.47,;4.73,-1.03,;6.22,-1.42,;7.3,-.33,;6.9,1.16,;5.42,1.55,;7.99,2.24,;7.59,3.73,;9.48,1.85,;10.57,2.94,;.26,.17,;-.82,-.91,;-2.31,-.52,;-2.71,.97,;-4.19,1.37,;-5.28,.28,;-6.77,.68,;-7.39,2.1,;-8.89,1.95,;-9.23,.41,;-7.9,-.36,;-7.9,-1.9,;-6.57,-2.66,;-5.24,-1.89,;-6.57,-4.2,;-7.89,-4.97,;-9.23,-4.21,;-9.23,-2.66,;-10.57,-1.89,;-6.62,3.43,;-5.28,4.2,;-6.62,4.97,;-1.62,2.06,;-.13,1.66,;.95,2.75,;.56,4.24,;2.44,2.35,;2.04,3.84,)|
CN(Cc1ccc(cc1)C(=O)NO)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(2.1,-1.71,;1.7,-.22,;2.79,.86,;4.27,.47,;5.36,1.55,;6.85,1.16,;7.25,-.33,;6.16,-1.42,;4.68,-1.03,;8.73,-.73,;9.82,.36,;9.13,-2.22,;10.62,-2.62,;.21,.17,;-.87,-.91,;-2.36,-.52,;-2.76,.97,;-4.25,1.37,;-5.34,.28,;-6.82,.68,;-7.44,2.1,;-8.94,1.95,;-9.29,.41,;-7.95,-.36,;-7.95,-1.9,;-6.62,-2.66,;-5.29,-1.89,;-6.62,-4.2,;-7.95,-4.97,;-9.29,-4.21,;-9.29,-2.66,;-10.62,-1.89,;-6.67,3.43,;-5.34,4.2,;-6.67,4.97,;-1.67,2.06,;-.19,1.66,;.9,2.75,;.5,4.24,;2.39,2.35,;1.99,3.84,)|
CC(C)c1snc(c1COc1ccc(N(C)Cc2cccc(c2)-c2nn[nH]n2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(-7.15,4.87,;-6.38,3.54,;-4.84,3.54,;-7.15,2.2,;-8.64,2.05,;-8.99,.52,;-7.66,-.25,;-6.53,.78,;-5.04,.39,;-3.95,1.47,;-2.47,1.08,;-2.07,-.42,;-.58,-.81,;.51,.28,;1.99,-.12,;2.39,-1.61,;3.08,.97,;4.57,.57,;4.97,-.92,;6.46,-1.31,;7.54,-.23,;7.14,1.26,;5.66,1.66,;8.23,2.35,;7.83,3.84,;9.16,4.67,;10.32,3.72,;9.76,2.28,;.11,1.77,;-1.38,2.16,;1.2,2.85,;.8,4.34,;2.68,2.46,;2.28,3.94,;-7.66,-1.79,;-6.33,-2.56,;-5,-1.79,;-6.33,-4.1,;-7.65,-4.87,;-8.99,-4.11,;-8.99,-2.56,;-10.32,-1.79,)|
CC(C)c1snc(c1COc1ccc(N(C)CC2CCCC(C2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(-4.54,3.54,;-6.08,3.54,;-6.85,4.87,;-6.85,2.2,;-8.34,2.05,;-8.69,.52,;-7.35,-.25,;-6.23,.78,;-4.74,.39,;-3.65,1.47,;-2.16,1.08,;-1.76,-.42,;-.27,-.81,;.81,.28,;2.3,-.12,;2.69,-1.61,;3.39,.97,;4.87,.57,;5.27,-.92,;6.76,-1.31,;7.84,-.23,;7.44,1.26,;5.96,1.66,;8.53,2.35,;10.02,1.95,;8.14,3.84,;.41,1.77,;-1.07,2.16,;1.5,2.85,;1.1,4.34,;2.99,2.46,;2.59,3.94,;-7.35,-1.79,;-6.03,-2.56,;-4.69,-1.79,;-6.03,-4.1,;-7.35,-4.87,;-8.69,-4.11,;-8.69,-2.56,;-10.02,-1.79,)|
CC(C)c1snc(c1COc1ccc(N(C)Cc2ccc(s2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(-4.37,3.54,;-5.91,3.54,;-6.68,4.87,;-6.68,2.2,;-8.18,2.05,;-8.52,.52,;-7.19,-.25,;-6.06,.78,;-4.57,.39,;-3.48,1.47,;-2,1.08,;-1.6,-.42,;-.11,-.81,;.98,.28,;2.46,-.12,;2.86,-1.61,;3.55,.97,;5.04,.57,;6.13,1.66,;7.52,.93,;7.28,-.56,;5.75,-.79,;8.37,-1.65,;7.97,-3.13,;9.86,-1.25,;.58,1.77,;-.91,2.16,;1.67,2.85,;1.27,4.34,;3.15,2.46,;2.75,3.94,;-7.19,-1.79,;-5.86,-2.56,;-4.53,-1.79,;-5.86,-4.1,;-7.18,-4.87,;-8.52,-4.11,;-8.52,-2.56,;-9.86,-1.79,)|
CC(C)c1snc(c1COc1ccc(N(C)Cc2ncc(C(O)=O)n2C)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(-4.08,3.54,;-5.63,3.54,;-6.4,4.87,;-6.4,2.2,;-7.89,2.05,;-8.24,.52,;-6.9,-.25,;-5.78,.78,;-4.29,.39,;-3.2,1.47,;-1.71,1.08,;-1.31,-.42,;.18,-.81,;1.26,.28,;2.75,-.12,;3.15,-1.61,;3.84,.97,;5.32,.57,;6.66,1.41,;7.83,.46,;7.26,-.99,;8.03,-2.32,;7.26,-3.66,;9.57,-2.32,;5.72,-.92,;4.63,-2.01,;.86,1.77,;-.62,2.16,;1.95,2.85,;1.55,4.34,;3.44,2.46,;3.04,3.94,;-6.9,-1.79,;-5.57,-2.56,;-4.24,-1.79,;-5.57,-4.1,;-6.9,-4.87,;-8.24,-4.11,;-8.24,-2.56,;-9.57,-1.79,)|
C\C(=N/OCc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(1.53,-2.05,;1.53,-.51,;2.86,.26,;4.19,-.51,;4.19,-2.05,;5.53,-2.82,;6.86,-2.05,;8.19,-2.82,;8.19,-4.36,;6.87,-5.13,;5.53,-4.37,;9.52,-5.13,;10.86,-4.36,;9.52,-6.67,;.19,.26,;.19,1.8,;-1.14,2.57,;-2.47,1.8,;-3.8,2.57,;-5.14,1.8,;-6.47,2.57,;-6.63,4.1,;-8.14,4.42,;-8.91,3.08,;-7.88,1.94,;-8.28,.45,;-7.19,-.64,;-5.7,-.24,;-7.59,-2.12,;-9.07,-2.52,;-10.16,-1.44,;-9.77,.05,;-10.86,1.14,;-5.54,5.19,;-4.05,5.59,;-5.14,6.67,;-2.47,.25,;-1.13,-.51,)|
C\C(=N/OCc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.53,-2.05,;1.53,-.51,;2.86,.26,;4.19,-.51,;4.19,-2.05,;5.53,-2.82,;6.86,-2.05,;8.19,-2.82,;8.19,-4.36,;6.87,-5.13,;5.53,-4.37,;9.52,-5.13,;10.86,-4.36,;9.52,-6.67,;.19,.26,;-1.13,-.51,;-2.47,.25,;-2.47,1.8,;-3.8,2.57,;-5.14,1.8,;-6.47,2.57,;-6.63,4.1,;-8.14,4.42,;-8.91,3.08,;-7.88,1.94,;-8.28,.45,;-7.19,-.64,;-5.7,-.24,;-7.59,-2.12,;-9.07,-2.52,;-10.16,-1.44,;-9.77,.05,;-10.86,1.14,;-5.54,5.19,;-4.05,5.59,;-5.14,6.67,;-1.14,2.57,;.19,1.8,;1.53,2.57,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cn1 |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.86,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;.19,1.03,;-1.14,1.79,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-2.47,-.52,;-1.13,-1.28,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.8,;.19,1.03,;1.53,1.8,)|
C\C(=N/OCc1cncc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.79,;.19,1.03,;1.53,1.8,)|
C\C(=N/OCc1ccc(o1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.82,-3.05,;1.82,-1.51,;3.15,-.74,;4.49,-1.51,;4.49,-3.05,;5.82,-3.82,;5.98,-5.35,;7.49,-5.67,;8.26,-4.34,;7.23,-3.2,;9.8,-4.34,;10.57,-5.67,;10.57,-3.01,;.48,-.74,;-.84,-1.51,;-2.18,-.75,;-2.18,.8,;-3.51,1.57,;-4.85,.8,;-6.18,1.57,;-6.34,3.1,;-7.85,3.42,;-8.62,2.08,;-7.58,.94,;-7.98,-.55,;-6.89,-1.64,;-5.41,-1.24,;-7.29,-3.12,;-8.78,-3.52,;-9.87,-2.44,;-9.48,-.95,;-10.57,.14,;-5.25,4.19,;-3.76,4.59,;-4.85,5.67,;-.84,1.57,;.48,.8,;1.82,1.57,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1F |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-9.77,-.72,;-10.86,.37,;-10.16,-2.21,;-9.07,-3.29,;-7.59,-2.89,;-7.19,-1.41,;-5.7,-1.01,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.8,;.19,1.03,;1.53,1.8,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C(F)(F)F |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-9.77,-.72,;-10.86,.37,;-10.16,-2.21,;-9.07,-3.29,;-7.59,-2.89,;-7.19,-1.41,;-5.7,-1.01,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.79,;.19,1.03,;1.53,1.8,;1.53,3.34,;2.86,1.03,;2.86,2.57,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Br |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.79,;.19,1.03,;1.53,1.8,)|
C\C(=N/OCc1cc(ccc1C#N)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.53,-2.43,;1.53,-.89,;2.86,-.12,;4.19,-.89,;4.19,-2.43,;5.53,-3.2,;6.86,-2.44,;8.19,-3.2,;8.19,-4.74,;6.87,-5.51,;5.53,-4.75,;4.19,-5.52,;2.86,-6.29,;9.52,-2.43,;10.86,-3.2,;9.52,-.89,;.19,-.12,;-1.13,-.89,;-2.47,-.13,;-2.47,1.41,;-3.8,2.18,;-5.14,1.41,;-6.47,2.18,;-6.63,3.72,;-8.14,4.04,;-8.91,2.7,;-7.88,1.56,;-8.28,.07,;-7.19,-1.02,;-5.7,-.62,;-7.59,-2.5,;-9.07,-2.9,;-10.16,-1.82,;-9.77,-.33,;-10.86,.76,;-5.54,4.8,;-4.05,5.2,;-5.14,6.29,;-1.14,2.18,;.19,1.42,;1.53,2.19,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;.19,1.03,;-1.14,1.79,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-2.47,-.52,;-1.13,-1.28,)|
C\C(=N/OCc1ccc(o1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cn1 |(1.82,-3.05,;1.82,-1.51,;3.15,-.74,;4.49,-1.51,;4.49,-3.05,;5.82,-3.82,;5.98,-5.35,;7.49,-5.67,;8.26,-4.34,;7.23,-3.2,;9.8,-4.34,;10.57,-5.67,;10.57,-3.01,;.48,-.74,;.48,.8,;-.84,1.57,;-2.18,.8,;-3.51,1.57,;-4.84,.8,;-6.18,1.57,;-6.34,3.1,;-7.85,3.42,;-8.61,2.08,;-7.58,.94,;-7.98,-.55,;-6.89,-1.64,;-5.41,-1.24,;-7.29,-3.12,;-8.78,-3.52,;-9.87,-2.44,;-9.48,-.95,;-10.57,.14,;-5.25,4.19,;-3.76,4.59,;-4.85,5.67,;-2.18,-.75,;-.84,-1.51,)|
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(Cl)c1 |(1.53,-2.82,;1.53,-1.28,;2.86,-.51,;4.19,-1.28,;4.19,-2.82,;5.53,-3.59,;5.53,-5.14,;6.87,-5.9,;8.19,-5.13,;8.19,-3.59,;6.86,-2.82,;9.52,-2.82,;10.86,-3.59,;9.52,-1.28,;.19,-.51,;-1.13,-1.28,;-2.47,-.52,;-2.47,1.03,;-3.8,1.8,;-5.14,1.03,;-6.47,1.8,;-6.63,3.33,;-8.14,3.65,;-8.91,2.31,;-7.88,1.17,;-8.28,-.32,;-7.19,-1.41,;-5.7,-1.01,;-7.59,-2.89,;-9.07,-3.29,;-10.16,-2.21,;-9.77,-.72,;-10.86,.37,;-5.54,4.42,;-4.05,4.81,;-5.14,5.9,;-1.14,1.79,;-1.14,3.34,;.19,1.03,)|
C\C(=N/OCc1cc(C)cc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(1.53,-2.05,;1.53,-.51,;2.86,.26,;4.19,-.51,;4.19,-2.05,;5.53,-2.82,;5.53,-4.37,;6.87,-5.13,;6.87,-6.67,;8.19,-4.36,;8.19,-2.82,;6.86,-2.05,;9.52,-2.05,;10.86,-2.82,;9.52,-.51,;.19,.26,;-1.13,-.51,;-2.47,.25,;-2.47,1.8,;-3.8,2.57,;-5.14,1.8,;-6.47,2.57,;-6.63,4.1,;-8.14,4.42,;-8.91,3.08,;-7.88,1.94,;-8.28,.45,;-7.19,-.64,;-5.7,-.24,;-7.59,-2.12,;-9.07,-2.52,;-10.16,-1.44,;-9.77,.05,;-10.86,1.14,;-5.54,5.19,;-4.05,5.58,;-5.14,6.67,;-1.14,2.57,;.19,1.8,;1.53,2.57,)|
C\C(=N/OCc1ccccc1C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(2.86,-2.82,;2.86,-1.28,;4.19,-.51,;5.53,-1.28,;5.53,-2.82,;6.86,-3.59,;6.86,-5.14,;8.2,-5.9,;9.52,-5.13,;9.52,-3.59,;8.19,-2.82,;8.19,-1.28,;9.53,-.51,;6.86,-.51,;1.52,-.51,;.2,-1.28,;-1.14,-.52,;-1.14,1.03,;-2.47,1.8,;-3.81,1.03,;-5.14,1.8,;-5.3,3.33,;-6.81,3.65,;-7.58,2.31,;-6.55,1.17,;-6.94,-.32,;-8.44,-.72,;-9.53,.37,;-8.83,-2.21,;-7.74,-3.29,;-6.25,-2.89,;-5.86,-1.41,;-4.37,-1.01,;-4.21,4.42,;-2.72,4.81,;-3.81,5.9,;.2,1.79,;1.52,1.03,;2.86,1.8,)|
C\C(=N/OCc1cncc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1Cl
C\C(=N/OCc1cc(C)cc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1Cl
C\C(=N/OCc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1Cl
C\C(=N/OCc1cncc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(F)c1
C\C(=N/OCc1cc(C)cc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(F)c1
COc1cc(ccc1OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(\C)=N\OCc1cc(C)cc(c1)C(O)=O
C\C(=N/OCc1cc(C)cc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(C)c1
C\C(=N/OCc1cncc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(C)c1
C\C(=N/OCc1cc(ccc1C#N)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(F)c1
COc1cc(ccc1OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C(\C)=N\OCc1cc(ccc1C#N)C(O)=O
C\C(=N/OCc1cc(ccc1C#N)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)c(C)c1
C\C(=N/OCc1cc(ccc1C#N)C(O)=O)c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1Cl
[H][C@]12OC[C@@H](Oc3nc4c(OC(C)C)cc(cc4s3)C(=O)NS(=O)(=O)N3CCCCC3)[C@]1([H])OC[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:35.40,31.35,4.4,wD:1.0,(-4.12,-1.06,;-2.82,-1.9,;-2.43,-.41,;-.89,-.33,;-.34,-1.77,;1.15,-2.17,;2.24,-1.08,;3.76,-1.32,;4.46,.05,;5.95,.45,;7.04,-.64,;8.53,-.24,;9.62,-1.33,;8.93,1.25,;6.34,1.94,;5.26,3.02,;3.77,2.62,;3.37,1.14,;2,.44,;5.65,4.51,;4.57,5.6,;7.14,4.91,;7.54,6.4,;7.14,7.89,;6.05,6.8,;9.03,6.8,;9.43,8.28,;10.92,8.68,;12,7.59,;11.61,6.1,;10.12,5.71,;-1.53,-2.74,;-.24,-3.58,;-1.93,-4.22,;-3.47,-4.3,;-4.02,-2.87,;-5.51,-2.47,;-6.6,-3.56,;-8.08,-3.16,;-8.56,-1.69,;-10.1,-1.69,;-10.58,-3.16,;-9.33,-4.06,;-9.33,-5.6,;-8,-6.38,;-6.66,-5.61,;-8,-7.91,;-9.33,-8.68,;-10.66,-7.92,;-10.67,-6.38,;-12,-5.61,;-7.79,-.36,;-6.45,.41,;-7.79,1.18,)|
[H][C@]12OC[C@@H](Oc3nc4c(OC(C)C)cc(cc4s3)C(=O)NS(=O)(=O)N3CCCC3)[C@]1([H])OC[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:34.39,30.34,4.4,wD:1.0,(-3.87,-.84,;-2.58,-1.67,;-2.18,-.19,;-.64,-.11,;-.09,-1.54,;1.39,-1.94,;2.48,-.85,;4,-1.09,;4.7,.28,;6.2,.68,;7.29,-.41,;8.77,-.01,;9.86,-1.1,;9.17,1.48,;6.59,2.17,;5.5,3.25,;4.01,2.85,;3.61,1.37,;2.24,.67,;5.9,4.73,;4.81,5.82,;7.39,5.13,;7.79,6.62,;7.39,8.11,;6.3,7.02,;9.27,7.02,;9.82,8.46,;11.36,8.38,;11.76,6.89,;10.47,6.05,;-1.29,-2.51,;0,-3.35,;-1.69,-4,;-3.23,-4.08,;-3.78,-2.64,;-5.26,-2.24,;-6.35,-3.33,;-7.84,-2.93,;-8.32,-1.47,;-9.86,-1.47,;-10.33,-2.93,;-9.09,-3.84,;-9.09,-5.38,;-7.75,-6.15,;-6.42,-5.38,;-7.75,-7.69,;-9.09,-8.46,;-10.42,-7.69,;-10.43,-6.15,;-11.76,-5.38,;-7.55,-.14,;-6.21,.63,;-7.55,1.4,)|
[H][C@]12OC[C@@H](Oc3nc4c(OC(C)C)cc(cc4s3)C(O)=O)[C@]1([H])OC[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:26.30,22.25,4.4,wD:1.0,(-2.92,.48,;-1.63,-.36,;-1.23,1.13,;.3,1.21,;.86,-.23,;2.34,-.63,;3.43,.46,;4.95,.22,;5.65,1.59,;7.15,1.99,;8.23,.91,;9.72,1.3,;10.81,.21,;10.12,2.79,;7.53,3.48,;6.45,4.56,;4.96,4.16,;4.56,2.68,;3.19,1.98,;6.85,6.05,;8.34,6.45,;5.76,7.14,;-.34,-1.2,;.95,-2.04,;-.74,-2.68,;-2.28,-2.76,;-2.83,-1.33,;-4.32,-.93,;-5.4,-2.02,;-6.89,-1.62,;-7.37,-.15,;-8.91,-.15,;-9.38,-1.62,;-8.14,-2.52,;-8.14,-4.06,;-6.8,-4.83,;-5.47,-4.06,;-6.81,-6.37,;-8.14,-7.14,;-9.47,-6.38,;-9.48,-4.84,;-10.81,-4.07,;-6.6,1.18,;-5.26,1.95,;-6.6,2.72,)|
[H][C@]12OC[C@@H](Oc3nc4c(OC(C)C)cc(cc4s3)C(O)=O)[C@@]1([H])OC[C@H]2OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |r|
Cc1ccc(cc1N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)Cl
Clc1ccc(Cl)c(c1)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:18.17.23:24,THB:19:18:24:25.20.21,21:20:17:23.22.24,21:22:25.20.19:17|
Clc1cccc(c1)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:17.16.22:23,THB:18:17:23:24.19.20,20:19:16:22.21.23,20:21:24.19.18:16|
OC(=O)c1ccc(cc1)-c1csc(n1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(10.13,2.4,;9.36,3.73,;10.13,5.07,;7.82,3.73,;7.05,5.07,;5.51,5.07,;4.74,3.73,;5.51,2.39,;7.05,2.39,;3.2,3.73,;2.43,5.07,;.92,4.75,;.76,3.22,;2.17,2.59,;-.57,2.45,;-.57,.9,;-1.9,.14,;-3.23,.9,;-3.23,2.44,;-1.9,3.21,;-4.57,.13,;-5.9,.9,;-7.24,.13,;-8.64,.75,;-9.67,-.39,;-8.9,-1.72,;-7.4,-1.4,;-6.31,-2.49,;-4.82,-2.09,;-4.42,-.61,;-3.73,-3.18,;-4.13,-4.67,;-5.61,-5.07,;-6.71,-3.99,;-8.2,-4.38,;-9.04,2.24,;-8.64,3.73,;-10.13,3.33,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cccc(c1)C(O)=O |t:29,(-1.52,4.75,;-1.52,3.21,;-2.85,2.44,;-2.85,.9,;-4.19,.13,;-5.52,.9,;-6.85,.13,;-8.26,.75,;-9.29,-.39,;-8.52,-1.72,;-7.01,-1.4,;-5.93,-2.49,;-4.44,-2.09,;-4.04,-.61,;-3.35,-3.18,;-3.75,-4.67,;-5.23,-5.07,;-6.33,-3.99,;-7.81,-4.38,;-8.66,2.24,;-8.26,3.73,;-9.75,3.33,;-1.51,.14,;-.19,.9,;-.19,2.45,;1.15,3.22,;1.31,4.75,;2.81,5.07,;3.58,3.73,;2.55,2.59,;5.12,3.73,;5.89,5.07,;7.43,5.07,;8.2,3.73,;7.44,2.4,;5.9,2.4,;8.21,1.07,;9.75,1.07,;7.44,-.26,)|
CC(C)n1nc(cc1C1CC(=NO1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C)C(O)=O |c:11,(3.94,5.62,;5.42,5.22,;6.51,6.31,;5.82,3.74,;7.29,3.26,;7.29,1.72,;5.82,1.24,;4.92,2.49,;3.38,2.49,;2.35,1.35,;.94,1.97,;1.1,3.5,;2.61,3.82,;-.4,1.2,;-.4,-.34,;-1.72,-1.11,;-3.06,-.35,;-4.39,-1.12,;-5.73,-.35,;-7.06,-1.12,;-8.47,-.49,;-9.5,-1.63,;-8.73,-2.97,;-7.22,-2.65,;-6.13,-3.74,;-4.64,-3.34,;-4.25,-1.85,;-3.56,-4.42,;-3.96,-5.91,;-5.44,-6.31,;-6.53,-5.23,;-8.02,-5.63,;-8.86,1,;-8.47,2.49,;-9.95,2.09,;-3.06,1.2,;-1.72,1.97,;-1.72,3.51,;8.62,.95,;9.95,1.72,;8.62,-.59,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cc(ccn1)C(O)=O |t:29,(-1.52,4.75,;-1.52,3.21,;-2.85,2.44,;-2.85,.9,;-4.19,.13,;-5.52,.9,;-6.85,.13,;-8.26,.75,;-9.29,-.39,;-8.52,-1.72,;-7.01,-1.4,;-5.93,-2.49,;-4.44,-2.09,;-4.04,-.61,;-3.35,-3.18,;-3.75,-4.67,;-5.23,-5.07,;-6.33,-3.99,;-7.81,-4.38,;-8.66,2.24,;-8.26,3.73,;-9.75,3.33,;-1.51,.14,;-.19,.9,;-.19,2.45,;1.15,3.22,;1.31,4.75,;2.81,5.07,;3.58,3.73,;2.55,2.59,;5.12,3.73,;5.9,2.4,;7.44,2.4,;8.2,3.73,;7.43,5.07,;5.89,5.07,;8.21,1.07,;9.75,1.07,;7.44,-.26,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1cc(nn1C)C(O)=O |t:29,(-1.72,4.06,;-1.72,2.52,;-3.06,1.75,;-3.06,.2,;-4.39,-.57,;-5.73,.2,;-7.06,-.57,;-8.47,.05,;-9.5,-1.09,;-8.73,-2.42,;-7.22,-2.1,;-6.13,-3.19,;-4.64,-2.79,;-4.25,-1.31,;-3.56,-3.88,;-3.96,-5.37,;-5.44,-5.77,;-6.53,-4.69,;-8.02,-5.08,;-8.87,1.54,;-8.47,3.03,;-9.95,2.63,;-1.72,-.56,;-.4,.21,;-.4,1.75,;.94,2.52,;1.1,4.05,;2.61,4.37,;3.38,3.03,;2.35,1.89,;4.92,3.03,;5.82,1.79,;7.29,2.27,;7.29,3.8,;5.82,4.28,;5.42,5.77,;8.62,1.5,;9.95,2.27,;8.62,-.04,)|
Cc1cc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)ccc1C1=NOC(C1)c1ccc(nc1)C(O)=O |t:29,(-1.9,4.75,;-1.9,3.21,;-3.23,2.44,;-3.23,.9,;-4.57,.13,;-5.9,.9,;-7.24,.13,;-8.64,.75,;-9.67,-.39,;-8.9,-1.72,;-7.4,-1.4,;-6.31,-2.49,;-4.82,-2.09,;-4.42,-.61,;-3.73,-3.18,;-4.13,-4.67,;-5.61,-5.07,;-6.71,-3.99,;-8.19,-4.38,;-9.04,2.24,;-8.64,3.73,;-10.13,3.33,;-1.9,.14,;-.57,.9,;-.57,2.45,;.76,3.22,;.92,4.75,;2.43,5.07,;3.2,3.73,;2.17,2.59,;4.74,3.73,;5.51,5.07,;7.05,5.07,;7.82,3.73,;7.05,2.39,;5.51,2.39,;9.36,3.73,;10.13,2.4,;10.13,5.07,)|
CCn1nc(cc1C1CC(=NO1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1C)C(O)=O |c:10,(3.94,5.97,;5.42,5.57,;5.82,4.08,;7.29,3.6,;7.29,2.07,;5.82,1.59,;4.92,2.84,;3.38,2.84,;2.35,1.69,;.94,2.32,;1.1,3.85,;2.61,4.17,;-.4,1.55,;-.4,.01,;-1.72,-.76,;-3.06,-0,;-4.39,-.77,;-5.73,-0,;-7.06,-.77,;-8.47,-.14,;-9.5,-1.29,;-8.73,-2.62,;-7.22,-2.3,;-6.13,-3.39,;-4.64,-2.99,;-4.25,-1.51,;-3.56,-4.08,;-3.96,-5.57,;-5.44,-5.97,;-6.53,-4.88,;-8.02,-5.28,;-8.86,1.34,;-8.47,2.83,;-9.95,2.43,;-3.06,1.55,;-1.72,2.32,;-1.72,3.86,;8.62,1.3,;8.62,-.24,;9.95,2.07,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc(cs1)-c1ccc(C(O)=O)c(c1)C(F)(F)F |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2C(=O)N1Cc2cccc(C(O)=O)c2C1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2cccc(C(O)=O)c2C1 |r,wD:7.9,1.0,4.4,(-1.09,4.85,;-1.09,3.31,;-1.76,2.18,;-1.09,1,;.24,1,;.24,-.54,;-1.09,.23,;-2.42,1,;-2.42,2.54,;-3.76,.23,;-5.09,1,;-6.43,.23,;-7.81,.85,;-8.84,-.28,;-8.07,-1.62,;-6.58,-1.31,;-5.45,-2.34,;-5.76,-3.82,;-7.2,-4.29,;-4.63,-4.85,;-3.14,-4.39,;-2.83,-2.9,;-3.96,-1.87,;-3.56,-.39,;-8.12,2.39,;-7.66,3.82,;-9.2,3.51,;.24,2.54,;1.58,3.31,;1.58,4.85,;2.91,2.54,;3.07,1.01,;4.58,.69,;5.35,-.65,;6.89,-.65,;7.66,.69,;6.89,2.02,;7.66,3.35,;9.2,3.35,;6.89,4.69,;5.35,2.02,;4.32,3.16,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2ccc(cc2C1)C(O)=O |r,wD:7.9,4.4,1.0,(-1.47,4.85,;-1.47,3.31,;-2.14,2.18,;-1.47,1,;-.14,1,;-.14,-.54,;-1.47,.23,;-2.81,1,;-2.81,2.54,;-4.14,.23,;-5.48,1,;-6.81,.23,;-8.2,.85,;-9.22,-.28,;-8.45,-1.62,;-6.96,-1.31,;-5.84,-2.34,;-6.14,-3.82,;-7.58,-4.28,;-5.01,-4.85,;-3.53,-4.39,;-3.22,-2.9,;-4.35,-1.87,;-3.95,-.39,;-8.5,2.39,;-8.04,3.82,;-9.58,3.51,;-.14,2.54,;1.19,3.31,;1.19,4.85,;2.53,2.54,;2.69,1.01,;4.19,.69,;4.97,-.65,;6.51,-.65,;7.27,.69,;6.5,2.02,;4.96,2.02,;3.93,3.16,;8.81,.69,;9.58,-.65,;9.58,2.02,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(F)cc(cc2s1)S([O-])=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)N2c1nc2c(C)cc(cc2s1)S([O-])=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2S(=O)(=O)Nc1ccc(C(O)=O)c(C)c1 |r,wD:7.9,4.4,1.0,(-1.28,3.7,;-1.28,2.16,;-1.95,1.03,;-1.28,-.15,;.05,-.15,;.05,-1.69,;-1.28,-.92,;-2.62,-.15,;-2.62,1.39,;-3.95,-.92,;-5.28,-.15,;-6.62,-.92,;-8,-.31,;-9.03,-1.44,;-8.26,-2.77,;-6.77,-2.46,;-5.64,-3.49,;-5.95,-4.98,;-7.39,-5.44,;-4.82,-6,;-3.33,-5.54,;-3.03,-4.05,;-4.16,-3.03,;-3.76,-1.54,;-8.31,1.23,;-7.85,2.67,;-9.39,2.36,;.05,1.39,;1.39,2.16,;2.16,3.49,;.62,3.49,;2.72,1.38,;4.05,2.16,;4.05,3.7,;5.39,4.46,;6.72,3.69,;8.05,4.46,;9.39,3.69,;8.05,6,;6.72,2.16,;8.06,1.39,;5.39,1.38,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2S(=O)(=O)Nc1ccc(cc1F)C(O)=O |r,wD:7.9,1.0,4.4,(-1.28,3.7,;-1.28,2.16,;-1.95,1.03,;-1.28,-.15,;.05,-.15,;.05,-1.69,;-1.28,-.92,;-2.62,-.15,;-2.62,1.39,;-3.95,-.92,;-5.28,-.15,;-6.62,-.92,;-8,-.31,;-9.03,-1.44,;-8.26,-2.77,;-6.77,-2.46,;-5.64,-3.49,;-4.16,-3.03,;-3.76,-1.54,;-3.03,-4.05,;-3.33,-5.54,;-4.82,-6,;-5.95,-4.98,;-7.39,-5.44,;-8.31,1.23,;-9.39,2.36,;-7.85,2.67,;.05,1.39,;1.39,2.16,;.62,3.49,;2.16,3.49,;2.72,1.38,;4.05,2.16,;4.05,3.7,;5.39,4.46,;6.72,3.69,;6.72,2.16,;5.39,1.38,;5.39,-.16,;8.05,4.46,;9.39,3.69,;8.05,6,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(cc1)C(O)=O |r,wD:7.9,4.4,1.0,(-.43,1.36,;-.43,-.18,;-1.09,-1.31,;-.43,-2.49,;.91,-2.49,;.91,-4.03,;-.43,-3.26,;-1.76,-2.49,;-1.76,-.95,;-3.09,-3.26,;-4.43,-2.49,;-5.76,-3.26,;-7.15,-2.64,;-8.17,-3.77,;-7.4,-5.11,;-5.91,-4.8,;-4.79,-5.82,;-5.09,-7.31,;-6.53,-7.77,;-3.97,-8.34,;-2.48,-7.88,;-2.17,-6.39,;-3.3,-5.36,;-2.9,-3.87,;-7.45,-1.1,;-6.99,.33,;-8.53,.03,;.91,-.95,;2.24,-.18,;3.65,-.81,;4.68,.34,;3.91,1.67,;2.4,1.35,;4.68,3.01,;6.23,3.01,;6.99,4.34,;6.22,5.67,;4.68,5.67,;3.91,4.34,;6.99,7,;8.53,7,;6.22,8.34,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(C(O)=O)c(Cl)c1 |r,wD:7.9,1.0,4.4,(-.43,1.36,;-.43,-.18,;-1.09,-1.31,;-.43,-2.49,;.91,-2.49,;.91,-4.03,;-.43,-3.26,;-1.76,-2.49,;-1.76,-.95,;-3.09,-3.26,;-4.43,-2.49,;-5.76,-3.26,;-7.15,-2.64,;-8.17,-3.77,;-7.4,-5.11,;-5.92,-4.8,;-4.79,-5.82,;-5.09,-7.31,;-6.53,-7.77,;-3.97,-8.34,;-2.48,-7.88,;-2.17,-6.39,;-3.3,-5.36,;-2.9,-3.87,;-7.45,-1.1,;-6.99,.33,;-8.53,.03,;.91,-.95,;2.24,-.18,;3.65,-.81,;4.68,.34,;3.91,1.67,;2.4,1.35,;4.68,3.01,;3.91,4.34,;4.68,5.67,;6.22,5.67,;6.99,7,;8.53,7,;6.22,8.34,;6.99,4.34,;8.53,4.34,;6.23,3.01,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(C(O)=O)c(F)c1 |r,wD:7.9,4.4,1.0,(-.43,1.36,;-.43,-.18,;-1.09,-1.31,;-.43,-2.49,;.91,-2.49,;.91,-4.03,;-.43,-3.26,;-1.76,-2.49,;-1.76,-.95,;-3.09,-3.26,;-4.43,-2.49,;-5.76,-3.26,;-7.15,-2.64,;-8.17,-3.77,;-7.4,-5.11,;-5.92,-4.8,;-4.79,-5.82,;-5.09,-7.31,;-6.53,-7.77,;-3.97,-8.34,;-2.48,-7.88,;-2.17,-6.39,;-3.3,-5.36,;-2.9,-3.87,;-7.45,-1.1,;-6.99,.33,;-8.53,.03,;.91,-.95,;2.24,-.18,;3.65,-.81,;4.68,.34,;3.91,1.67,;2.4,1.35,;4.68,3.01,;3.91,4.34,;4.68,5.67,;6.22,5.67,;6.99,7,;8.53,7,;6.22,8.34,;6.99,4.34,;8.53,4.34,;6.23,3.01,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(C(O)=O)c(OC)c1 |r,wD:7.9,4.4,1.0,(-.81,1.36,;-.81,-.18,;-1.48,-1.31,;-.81,-2.49,;.52,-2.49,;.52,-4.03,;-.81,-3.26,;-2.14,-2.49,;-2.14,-.95,;-3.48,-3.26,;-4.81,-2.49,;-6.15,-3.26,;-7.53,-2.64,;-8.56,-3.77,;-7.79,-5.11,;-6.3,-4.8,;-5.17,-5.82,;-5.48,-7.31,;-6.92,-7.77,;-4.35,-8.34,;-2.86,-7.88,;-2.55,-6.39,;-3.68,-5.36,;-3.28,-3.87,;-7.84,-1.1,;-7.38,.33,;-8.92,.03,;.52,-.95,;1.86,-.18,;3.26,-.81,;4.3,.34,;3.53,1.67,;2.02,1.35,;4.3,3.01,;3.53,4.34,;4.3,5.67,;5.84,5.67,;6.61,7,;8.15,7,;5.84,8.34,;6.61,4.34,;8.15,4.34,;8.92,5.68,;5.84,3.01,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(C(O)=O)c(C)c1 |r,wD:7.9,4.4,1.0,(-.43,1.36,;-.43,-.18,;-1.09,-1.31,;-.43,-2.49,;.91,-2.49,;.91,-4.03,;-.43,-3.26,;-1.76,-2.49,;-1.76,-.95,;-3.09,-3.26,;-4.43,-2.49,;-5.76,-3.26,;-7.15,-2.64,;-8.17,-3.77,;-7.4,-5.11,;-5.92,-4.8,;-4.79,-5.82,;-5.09,-7.31,;-6.53,-7.77,;-3.97,-8.34,;-2.48,-7.88,;-2.17,-6.39,;-3.3,-5.36,;-2.9,-3.87,;-7.45,-1.1,;-6.99,.33,;-8.53,.03,;.91,-.95,;2.24,-.18,;3.65,-.81,;4.68,.34,;3.91,1.67,;2.4,1.35,;4.68,3.01,;3.91,4.34,;4.68,5.67,;6.22,5.67,;6.99,7,;8.53,7,;6.22,8.34,;6.99,4.34,;8.53,4.34,;6.23,3.01,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1ccc(C(O)=O)c(c1)C(F)(F)F |r,wD:7.9,4.4,1.0,(-1.19,1.36,;-1.19,-.18,;-1.86,-1.31,;-1.19,-2.49,;.14,-2.49,;.14,-4.03,;-1.19,-3.26,;-2.53,-2.49,;-2.53,-.95,;-3.86,-3.26,;-5.2,-2.49,;-6.53,-3.26,;-7.92,-2.64,;-8.94,-3.77,;-8.17,-5.11,;-6.68,-4.8,;-5.56,-5.82,;-5.86,-7.31,;-7.3,-7.77,;-4.73,-8.34,;-3.25,-7.88,;-2.94,-6.39,;-4.07,-5.36,;-3.67,-3.87,;-8.22,-1.1,;-7.76,.33,;-9.3,.03,;.14,-.95,;1.47,-.18,;2.88,-.81,;3.91,.34,;3.14,1.67,;1.63,1.35,;3.91,3.01,;3.14,4.34,;3.91,5.67,;5.45,5.67,;6.22,7,;7.76,7,;5.45,8.34,;6.22,4.34,;5.46,3.01,;7.76,4.34,;8.53,5.68,;8.53,3.01,;9.3,4.34,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1cccc(c1)C(O)=O |r,wD:7.9,4.4,1.0,(.35,1.36,;.35,-.18,;-.32,-1.31,;.35,-2.49,;1.68,-2.49,;1.68,-4.03,;.35,-3.26,;-.99,-2.49,;-.99,-.95,;-2.32,-3.26,;-3.66,-2.49,;-4.99,-3.26,;-6.38,-2.64,;-7.4,-3.77,;-6.63,-5.11,;-5.14,-4.8,;-4.02,-5.82,;-4.32,-7.31,;-5.76,-7.77,;-3.19,-8.34,;-1.71,-7.88,;-1.4,-6.39,;-2.53,-5.36,;-2.13,-3.87,;-6.68,-1.1,;-6.22,.33,;-7.76,.03,;1.68,-.95,;3.01,-.18,;4.42,-.81,;5.45,.34,;4.68,1.67,;3.18,1.35,;5.45,3.01,;7,3.01,;7.76,4.34,;6.99,5.67,;5.45,5.67,;4.68,4.34,;4.68,7,;5.45,8.34,;3.14,7,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1cccc(n1)C(O)=O |r,wD:7.9,1.0,4.4,(.35,1.36,;.35,-.18,;-.32,-1.31,;.35,-2.49,;1.68,-2.49,;1.68,-4.03,;.35,-3.26,;-.99,-2.49,;-.99,-.95,;-2.32,-3.26,;-3.66,-2.49,;-4.99,-3.26,;-6.38,-2.64,;-7.4,-3.77,;-6.63,-5.11,;-5.14,-4.8,;-4.02,-5.82,;-4.32,-7.31,;-5.76,-7.77,;-3.19,-8.34,;-1.71,-7.88,;-1.4,-6.39,;-2.53,-5.36,;-2.13,-3.87,;-6.68,-1.1,;-6.22,.33,;-7.76,.03,;1.68,-.95,;3.01,-.18,;4.42,-.81,;5.45,.34,;4.68,1.67,;3.18,1.35,;5.45,3.01,;7,3.01,;7.76,4.34,;6.99,5.67,;5.45,5.67,;4.68,4.34,;4.68,7,;5.45,8.34,;3.14,7,)|
[H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1nc2c(F)cc(cc2s1)C(O)=O |r,wD:7.9,4.4,1.0,(-.42,2.7,;-.42,1.16,;-1.09,.03,;-.42,-1.15,;.91,-1.15,;.91,-2.69,;-.42,-1.92,;-1.76,-1.15,;-1.76,.39,;-3.09,-1.92,;-4.43,-1.15,;-5.76,-1.92,;-7.15,-1.31,;-8.17,-2.44,;-7.4,-3.77,;-5.92,-3.46,;-4.79,-4.49,;-5.09,-5.98,;-6.53,-6.44,;-3.97,-7,;-2.48,-6.54,;-2.17,-5.05,;-3.3,-4.03,;-2.9,-2.54,;-7.45,.23,;-6.99,1.67,;-8.53,1.36,;.91,.39,;2.24,1.16,;3.65,.53,;4.68,1.67,;6.23,1.67,;7,.34,;6.99,3.01,;6.22,4.34,;4.68,4.34,;3.91,3.01,;2.41,2.69,;6.99,5.67,;8.53,5.67,;6.22,7,)|
COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16|
Cn1cc(C(O)=O)c2ccc(cc12)N1C(=O)CCc2cc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc12 |(3.46,-2.72,;4.55,-1.63,;6.07,-1.79,;6.69,-.38,;8.18,.01,;9.27,-1.07,;8.58,1.5,;5.55,.64,;5.55,2.18,;4.22,2.95,;2.89,2.18,;2.89,.63,;4.23,-.13,;1.55,2.95,;1.55,4.49,;2.89,5.26,;.22,5.26,;-1.11,4.49,;-1.11,2.95,;-2.44,2.18,;-2.44,.64,;-3.78,-.13,;-5.12,.65,;-6.47,-.13,;-7.87,.49,;-8.91,-.65,;-8.13,-1.99,;-6.63,-1.68,;-5.49,-2.72,;-5.8,-4.22,;-7.25,-4.69,;-4.66,-5.26,;-3.15,-4.79,;-2.84,-3.29,;-3.98,-2.25,;-3.58,-.75,;-8.18,2.05,;-7.71,3.5,;-9.27,3.19,;-1.1,-.13,;.22,.65,;.22,2.18,)|
Cn1nc(C(O)=O)c2ccc(cc12)N1C(=O)CCc2cc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc12 |(3.46,-2.72,;4.55,-1.63,;6.07,-1.79,;6.69,-.38,;8.18,.01,;9.27,-1.07,;8.58,1.5,;5.55,.64,;5.55,2.18,;4.22,2.95,;2.89,2.18,;2.89,.63,;4.23,-.13,;1.55,2.95,;1.55,4.49,;2.89,5.26,;.22,5.26,;-1.11,4.49,;-1.11,2.95,;-2.44,2.18,;-2.44,.64,;-3.78,-.13,;-5.12,.65,;-6.47,-.13,;-7.87,.49,;-8.91,-.65,;-8.13,-1.99,;-6.63,-1.68,;-5.49,-2.72,;-5.8,-4.22,;-7.25,-4.69,;-4.66,-5.26,;-3.15,-4.79,;-2.84,-3.29,;-3.98,-2.25,;-3.58,-.75,;-8.18,2.05,;-7.71,3.5,;-9.27,3.19,;-1.1,-.13,;.22,.65,;.22,2.18,)|
Oc1cnc(N2C(=O)CCc3cc(OCc4c(onc4-c4c(Cl)cccc4Cl)C4CC4)ccc23)c(F)c1 |(8.08,-.13,;6.74,.64,;5.42,-.13,;4.08,.63,;4.08,2.18,;2.75,2.95,;2.75,4.49,;4.08,5.26,;1.41,5.26,;.08,4.49,;.08,2.95,;-1.25,2.18,;-1.25,.64,;-2.58,-.13,;-3.93,.65,;-5.28,-.13,;-6.68,.49,;-7.71,-.65,;-6.94,-1.99,;-5.43,-1.68,;-4.29,-2.72,;-4.6,-4.22,;-6.06,-4.69,;-3.47,-5.26,;-1.96,-4.79,;-1.65,-3.29,;-2.79,-2.25,;-2.39,-.75,;-6.99,2.05,;-6.52,3.5,;-8.08,3.19,;.09,-.13,;1.41,.65,;1.41,2.18,;5.41,2.95,;5.41,4.49,;6.74,2.18,)|
OC(=O)c1ccc(nc1)N1C(=O)CCc2cc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc12 |(8.74,.64,;7.41,-.13,;7.41,-1.67,;6.07,.64,;6.07,2.18,;4.75,2.95,;3.41,2.18,;3.41,.63,;4.75,-.13,;2.08,2.95,;2.08,4.49,;3.41,5.26,;.74,5.26,;-.59,4.49,;-.59,2.95,;-1.92,2.18,;-1.92,.64,;-3.25,-.13,;-4.6,.65,;-5.94,-.13,;-7.34,.49,;-8.38,-.65,;-7.6,-1.99,;-6.1,-1.68,;-4.96,-2.72,;-5.27,-4.22,;-6.72,-4.69,;-4.13,-5.26,;-2.63,-4.79,;-2.32,-3.29,;-3.46,-2.25,;-3.06,-.75,;-7.65,2.05,;-7.19,3.5,;-8.74,3.19,;-.58,-.13,;.75,.65,;.75,2.18,)|
OC(=O)c1ccc(cc1O)N1C(=O)CCc2cc(OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)ccc12 |(8.74,.64,;7.41,-.13,;7.41,-1.67,;6.08,.64,;6.08,2.18,;4.75,2.95,;3.41,2.18,;3.41,.63,;4.75,-.13,;4.75,-1.67,;2.08,2.95,;2.08,4.49,;3.41,5.26,;.74,5.26,;-.59,4.49,;-.59,2.95,;-1.92,2.18,;-1.92,.64,;-3.25,-.13,;-4.6,.65,;-5.95,-.13,;-7.34,.49,;-8.38,-.65,;-7.6,-1.99,;-6.1,-1.68,;-4.96,-2.72,;-5.27,-4.22,;-6.72,-4.69,;-4.13,-5.26,;-2.63,-4.79,;-2.32,-3.29,;-3.46,-2.25,;-3.06,-.75,;-7.65,2.05,;-7.19,3.5,;-8.74,3.19,;-.58,-.13,;.75,.65,;.75,2.18,)|
CC(C)c1onc(c1COc1ccc(C2CC2(C#N)c2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-6.76,4.2,;-8.16,3.55,;-9.35,4.52,;-8.4,1.99,;-9.77,1.28,;-9.51,-.26,;-7.99,-.49,;-7.31,.92,;-5.77,1.18,;-4.78,-.01,;-3.26,.25,;-2.73,1.69,;-1.21,1.95,;-.23,.76,;1.29,1.02,;2.47,2.01,;2.74,.49,;3.14,-1,;3.53,-2.49,;4.22,.09,;5.31,1.18,;6.8,.78,;7.19,-.71,;6.11,-1.8,;4.62,-1.4,;8.68,-1.11,;9.08,-2.6,;9.77,-.02,;-.76,-.67,;.33,-1.76,;-2.27,-.94,;-7.28,-1.94,;-5.71,-1.94,;-4.81,-.67,;-5,-3.3,;-5.81,-4.52,;-7.38,-4.52,;-8.09,-3.15,;-9.61,-3.15,)|
CCc1onc(c1COc1ccc(c(Cl)c1)C1(CC1c1ccc(cc1)C(O)=O)C#N)-c1c(Cl)cccc1Cl |(-6.16,4.77,;-7.56,4.13,;-7.8,2.56,;-9.17,1.85,;-8.91,.32,;-7.39,.09,;-6.71,1.5,;-5.18,1.76,;-4.18,.56,;-2.66,.82,;-2.13,2.27,;-.62,2.53,;.37,1.34,;-.16,-.1,;.93,-1.19,;-1.67,-.37,;1.89,1.6,;3.07,2.58,;3.33,1.07,;4.42,-.02,;5.91,.38,;6.99,-.71,;6.6,-2.2,;5.12,-2.6,;4.02,-1.52,;7.68,-3.29,;9.17,-2.89,;7.29,-4.77,;1.63,3.12,;1.37,4.64,;-6.68,-1.36,;-5.11,-1.36,;-4.21,-.09,;-4.4,-2.72,;-5.21,-3.94,;-6.78,-3.94,;-7.49,-2.58,;-9.02,-2.58,)|
CCc1onc(c1COc1ccc(c(Cl)c1)C1(C)CC1c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(-6.16,4.77,;-7.56,4.13,;-7.81,2.56,;-9.17,1.85,;-8.91,.32,;-7.39,.09,;-6.71,1.5,;-5.18,1.76,;-4.18,.56,;-2.66,.82,;-2.13,2.27,;-.62,2.53,;.37,1.34,;-.16,-.1,;.93,-1.19,;-1.68,-.37,;1.89,1.6,;1.63,3.12,;3.07,2.58,;3.33,1.07,;4.42,-.02,;4.02,-1.52,;5.12,-2.6,;6.6,-2.2,;6.99,-.71,;5.91,.38,;7.68,-3.29,;9.17,-2.89,;7.29,-4.77,;-6.68,-1.36,;-5.11,-1.36,;-4.21,-.09,;-4.4,-2.72,;-5.21,-3.94,;-6.78,-3.94,;-7.5,-2.58,;-9.02,-2.58,)|
OC(=O)c1ccc2nc(sc2c1)N1CCC2(CC(CO2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
OC(=O)c1ccc(nc1)N1CCC2(CC(CO2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
CS(=O)(=O)NC(=O)c1ccc(nc1)N1CCC2(CC(CO2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
OC(=O)CNC(=O)c1ccc(nc1)N1CCC2(CC(CO2)OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)COC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1 |r|
CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)C(O)=O
CC(C)COc1ccc(cc1)-c1nnc(s1)-c1ccc(cc1)C(O)=O
OC(=O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])[C@@H](F)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)NS(=O)(=O)c1ccc(C)cc1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])[C@@H](F)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])[C@@H](F)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])[C@@H](F)[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
COc1cc(ccc1Cn1ccc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc12)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2ccn(Cc3ccc(cc3)C(O)=O)c2c1
COc1ccc(C(=O)Nc2cccc(CCC(O)=O)c2)c(NC(=O)c2ccc3ccccc3c2)c1
CC(C)(C)c1ccc(C(=O)Nc2cccc(CCC(O)=O)c2)c(NC(=O)c2ccc3ccccc3c2)c1
OC(=O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-c2ccoc2)c1
COc1cc(Cl)cc(c1)N(CC12CCC(CC1)(CC2)c1ccc(OC)c(c1)C#N)C(=O)c1ccncc1C
CC(C)(O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)c(F)cc2Cl)cc1
Cc1cc(ccc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(cc3)F)OC(F)F
Cc1cc(cnc1NC(=O)c2cc(c(cc2Cl)F)C(=O)NCc3ccc(c(c3)F)F)N4CCOCC4
CCCCCn1c(nc2ccc(C)cc12)-c1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2nc3ccc(C)cc3n2[C@H](C)c2ccc(C)cc2)cc1 |r|
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2nc3ccc(C)cc3n2[C@@H](C)c2ccc(C)cc2)cc1 |r|
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2nc3ccc(cc3n2[C@H](C)c2ccc(F)cc2)C(F)(F)F)cc1 |r|
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2nc3ccc(cc3n2[C@@H](C)c2ccc(F)cc2)C(F)(F)F)cc1 |r|
c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O
CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl
OC(=O)c1ccccc1-c1ccc(Cn2ccc(OCc3c(noc3-c3cccs3)-c3ccccc3Cl)n2)cc1
OC(=O)c1ccccc1-c1ccc(Cn2ccc(OCc3c(noc3-c3cccs3)-c3c(Cl)cccc3Cl)n2)cc1 |(-9.42,2.9,;-8.09,2.13,;-6.75,2.9,;-8.09,.59,;-9.42,-.19,;-9.41,-1.72,;-8.08,-2.49,;-6.75,-1.72,;-6.75,-.18,;-5.41,.59,;-4.08,-.19,;-2.75,.58,;-2.75,2.12,;-1.41,2.89,;-.08,2.12,;.08,.59,;1.59,.27,;2.36,1.6,;3.9,1.6,;4.67,.27,;6.21,.27,;7.24,-.86,;8.66,-.24,;8.51,1.26,;6.98,1.6,;6.21,2.94,;6.67,4.4,;5.42,5.32,;4.2,4.44,;4.67,2.94,;6.84,-2.35,;7.93,-3.44,;9.42,-3.04,;7.53,-4.92,;6.05,-5.32,;4.96,-4.24,;5.35,-2.75,;4.26,-1.66,;1.33,2.75,;-4.09,2.89,;-5.42,2.12,)|
CC(C)c1onc(c1COc1ccn(Cc2ccc(cc2)-c2ccccc2C(O)=O)n1)-c1c(Cl)cccc1Cl |(6.98,4.79,;6.21,3.46,;4.67,3.46,;6.98,2.13,;8.51,1.78,;8.66,.28,;7.24,-.34,;6.21,.79,;4.67,.79,;3.9,2.13,;2.36,2.13,;1.59,.79,;.08,1.11,;-.08,2.64,;-1.41,3.41,;-2.75,2.64,;-2.75,1.1,;-4.08,.34,;-5.41,1.11,;-5.42,2.64,;-4.09,3.42,;-6.75,.34,;-6.75,-1.2,;-8.08,-1.97,;-9.41,-1.2,;-9.41,.33,;-8.09,1.11,;-8.09,2.65,;-9.42,3.42,;-6.75,3.42,;1.33,3.27,;6.84,-1.82,;7.93,-2.91,;9.42,-2.51,;7.53,-4.39,;6.05,-4.79,;4.96,-3.71,;5.35,-2.22,;4.26,-1.13,)|
CC(C)c1onc(c1COc1ccn(n1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(2,1.84,;3.54,1.84,;4.31,3.17,;4.31,.51,;5.84,.16,;5.99,-1.34,;4.57,-1.96,;3.54,-.83,;2,-.83,;1.23,.51,;-.31,.51,;-1.08,-.83,;-2.59,-.51,;-2.75,1.02,;-1.34,1.65,;-4.08,1.79,;-5.42,1.02,;-6.75,1.79,;-6.75,3.33,;-5.42,4.1,;-4.08,3.33,;-5.42,5.64,;-6.75,6.42,;-4.08,6.42,;4.18,-3.44,;5.26,-4.53,;6.75,-4.13,;4.87,-6.02,;3.38,-6.42,;2.29,-5.33,;2.68,-3.84,;1.59,-2.75,)|
[H][C@@]1(CCC2=C3CC[C@@]4([H])C(=C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H](C)CC[C@H](CC)C(C)C |r,c:4|
[H][C@@]1(CCC2=C3CC[C@@]4([H])C(C)=CCC[C@]4(C)C3CC[C@]12C)[C@H](C)CC[C@H](CC)C(C)C |r,c:4,11|
[H][C@@]1(CCC2C3[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C)[C@H](C)C[C@H](C)C(O)=O |r|
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(F)c1 |t:6|
Cc1c(ccc2oc(cc12)C(O)=O)N1CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)-c3nnn[nH]3)ccc2c1)-c1c(Cl)cccc1Cl |(6.12,-5.64,;5.72,-4.15,;4.23,-3.75,;6.81,-3.06,;8.35,-3.24,;8.96,-1.87,;7.81,-.8,;6.47,-1.57,;5.14,-.8,;3.81,-1.57,;2.47,-.8,;2.47,.74,;1.14,1.51,;-.19,.74,;-1.66,1.2,;-2.05,2.69,;-3.54,3.09,;-4.63,2,;-6.11,2.4,;-6.51,3.88,;-5.43,4.97,;-3.94,4.58,;-8,4.28,;-9.09,3.19,;-10.48,3.93,;-10.24,5.41,;-8.71,5.64,;-2.58,-.05,;-1.7,-1.28,;-.19,-.81,;1.15,-1.57,;7.81,.74,;9.15,1.51,;10.48,.74,;9.14,3.05,;7.81,3.82,;6.48,3.05,;6.47,1.51,;5.14,.74,)|
CO[C@@H](c1nc2cc(F)c(F)cc2n1C(C1CCCCC1)C(=O)Nc1ccc(cc1C)C(O)=O)c1ccccc1 |r|
Fc1cc2nc(-c3ccc(Cl)cc3NC(=O)c3ccc(cc3F)-c3nnn[nH]3)n(CC3CCCCC3)c2cc1F
Cc1cc(cc(C)c1OCC(C1CCCCC1)c1c2CCCc2nn1-c1ccc(Cl)cc1)C(O)=O
Fc1cc(ccc1OCC(C1CCCCC1)c1c2CCCCCc2nn1-c1ccc(Cl)cc1)-c1nnn[nH]1
CN(Cc1ccc(C(O)=O)c(C)c1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.22,-2.97,;-2.22,-1.43,;-3.55,-.66,;-4.89,-1.43,;-4.89,-2.97,;-6.21,-3.74,;-7.55,-2.98,;-8.88,-3.75,;-8.88,-5.29,;-10.22,-2.98,;-7.55,-1.43,;-8.88,-.66,;-6.22,-.66,;-.89,-.66,;-.89,.88,;.44,1.64,;1.78,.87,;3.11,1.64,;4.45,.87,;5.78,1.64,;5.78,3.18,;7.28,3.65,;8.16,2.43,;7.24,1.18,;7.64,-.3,;6.55,-1.4,;5.06,-1,;6.95,-2.88,;8.43,-3.27,;9.52,-2.19,;9.13,-.7,;10.22,.39,;4.45,3.95,;3.68,5.29,;2.91,3.96,;1.78,-.66,;.45,-1.44,;.45,-2.98,;1.79,-3.75,;-.88,-3.75,;.45,-4.52,)|
CC(C)n1nc(cc1[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |r,wU:8.8,wD:10.14,(9.09,-1.67,;7.87,-1.51,;7.12,-2.49,;7.28,-.09,;8.07,1.23,;7.06,2.39,;5.65,1.79,;5.81,.27,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;7.41,3.89,;6.51,4.73,;8.59,4.25,)|
OC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(noc1C1CC1)[C@H]1CCCC[C@@H]1C(F)(F)F |r|
OC(=O)c1ccc(cc1)-c1nc(no1)N1CCC(CC1)OCc1c(noc1C1CC1)C1CCCCC1OC(F)(F)F
OC(=O)c1ccc2cc(ccc2c1)N1C2CCC1CC(C2)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1 |TLB:8:13:15.16:19.20.18|
[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](COC3=O)Oc3ccc(cc3)[N+]([O-])=O)[C@]1(C)CC[C@@H](O)[C@]2(C)CO |r|
CC(C)(C)c1ccc(Cn2cnc3c(NC(=O)c4ccc(cc4)C(O)=O)cccc23)cc1
CC(C)(C)c1ccc(cc1)-n1cnc2c(NC(=O)c3ccc(cc3)C(O)=O)cccc12
CC(C)(C)c1ccc(cc1)-n1cnc2c(NC(=O)Cc3ccc(cc3)C(O)=O)cccc12
CC(C)(C)c1ccc(Cn2cnc3c(NC(=O)Cc4ccc(cc4)C(O)=O)cccc23)cc1
CC(C)(C)c1ccc(CC(=O)Nc2cccc3n(cnc23)-c2ccc(cc2)C(O)=O)cc1
CC(C)(C)c1ccc(CC(=O)Nc2cccc3n(Cc4ccc(cc4)C(O)=O)cnc23)cc1
CC(C)(C)c1ccc(cc1)-c1cccc2n(Cc3ccc(cc3)C(O)=O)cnc12
CC(C)(C)c1ccc(cc1)-n1cnc2c(cccc12)-c1ccc(cc1)C(O)=O
CC(C)(C)c1ccc(Cn2cnc3c(cccc23)-c2ccc(cc2)C(O)=O)cc1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCOS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@H](CC([O-])=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCOS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCOS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCOS([O-])(=O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@@]3(C)O)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)CC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)CCC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)CCCC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)CCCCCC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)C=C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])C[C@]3(O)CC=C)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@@]3([H])[C@]([H])(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]1([H])[C@@H](CC)[C@]3(O)CCCC)[C@H](C)CCC(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](CC)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](CC)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](CC=C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](CC=C)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](Cc1ccccc1)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](Cc1ccccc1)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](OC)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](OC)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](F)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](F)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(F)(F)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(F)(F)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(=C)C(O)=O |r|
CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
OC(=O)COc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(10.23,-3.16,;8.9,-3.94,;8.9,-5.5,;7.57,-3.16,;6.17,-3.94,;4.84,-3.16,;4.84,-1.6,;3.51,-.82,;2.19,-1.6,;2.19,-3.16,;3.51,-3.94,;.86,-.82,;.86,.66,;-.47,1.44,;-1.8,.66,;-3.2,1.44,;-4.53,.66,;-5.86,1.44,;-6.01,3.01,;-7.5,3.32,;-8.28,1.99,;-7.26,.82,;-7.57,-.66,;-9.06,-1.13,;-10.23,-.12,;-9.37,-2.69,;-8.2,-3.71,;-6.79,-3.24,;-6.4,-1.68,;-5,-1.21,;-4.84,4.02,;-3.36,4.33,;-4.37,5.5,;-1.8,-.82,;-.47,-1.6,)|
OC(=O)COc1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(10.12,-2.37,;8.81,-1.67,;8.81,-.12,;7.49,-2.37,;6.17,-1.67,;4.85,-2.37,;4.85,-3.92,;3.53,-4.69,;2.13,-3.92,;2.13,-2.37,;3.53,-1.67,;.81,-1.67,;-.5,-2.37,;-1.82,-1.67,;-1.82,-.12,;-3.14,.66,;-4.46,-.12,;-5.78,.66,;-5.94,2.21,;-7.49,2.52,;-8.26,1.2,;-7.25,.04,;-7.56,-1.44,;-6.4,-2.52,;-4.93,-1.98,;-6.71,-4,;-8.19,-4.46,;-9.35,-3.45,;-8.96,-1.9,;-10.12,-.89,;-4.85,3.22,;-4.38,4.69,;-3.3,3.53,;-.5,.66,;.81,-.12,)|
CC(Oc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1)C(O)=O |(7.49,-1.59,;7.49,-3.14,;6.17,-3.92,;4.85,-3.14,;4.85,-1.59,;3.53,-.81,;2.13,-1.59,;2.13,-3.14,;3.53,-3.92,;.81,-.81,;.81,.66,;-.5,1.44,;-1.82,.66,;-3.14,1.44,;-4.46,.66,;-5.78,1.44,;-5.93,2.99,;-7.49,3.3,;-8.26,1.98,;-7.25,.81,;-7.56,-.66,;-8.96,-1.12,;-10.12,-.12,;-9.35,-2.68,;-8.18,-3.69,;-6.71,-3.22,;-6.4,-1.67,;-4.93,-1.2,;-4.85,4,;-3.3,4.31,;-4.38,5.47,;-1.82,-.81,;-.5,-1.59,;8.81,-3.92,;10.12,-3.14,;8.81,-5.47,)|
CC(C)(Oc1ccc(cc1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(6.79,-1.91,;7.57,-3.24,;8.28,-1.91,;6.17,-4.02,;4.84,-3.24,;4.84,-1.68,;3.51,-.9,;2.19,-1.68,;2.19,-3.24,;3.51,-4.02,;.86,-.9,;.86,.66,;-.47,1.44,;-1.8,.66,;-3.2,1.44,;-4.53,.66,;-5.86,1.44,;-7.26,.82,;-8.28,1.91,;-7.5,3.32,;-6.01,2.93,;-4.84,4.02,;-3.36,4.33,;-4.37,5.5,;-7.57,-.74,;-9.06,-1.21,;-10.23,-.2,;-9.37,-2.69,;-8.2,-3.71,;-6.79,-3.24,;-6.4,-1.76,;-5,-1.29,;-1.8,-.9,;-.47,-1.68,;8.9,-4.02,;10.23,-3.24,;8.9,-5.5,)|
OC(=O)CCc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(10.19,-3.16,;8.86,-3.94,;8.86,-5.5,;7.53,-3.16,;6.21,-3.94,;4.88,-3.16,;4.88,-1.6,;3.55,-.82,;2.15,-1.6,;2.15,-3.16,;3.55,-3.94,;.82,-.82,;.82,.66,;-.51,1.44,;-1.83,.66,;-3.16,1.44,;-4.49,.66,;-5.82,1.44,;-5.97,3.01,;-7.53,3.32,;-8.31,1.99,;-7.3,.82,;-7.61,-.66,;-9.02,-1.13,;-10.19,-.12,;-9.41,-2.69,;-8.24,-3.71,;-6.75,-3.24,;-6.44,-1.68,;-4.96,-1.21,;-4.88,4.02,;-3.32,4.33,;-4.41,5.5,;-1.83,-.82,;-.51,-1.6,)|
OC(=O)CCc1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(10.13,-2.37,;8.81,-1.67,;8.81,-.12,;7.49,-2.37,;6.17,-1.67,;4.85,-2.37,;4.85,-3.92,;3.53,-4.69,;2.13,-3.92,;2.13,-2.37,;3.53,-1.67,;.81,-1.67,;-.5,-2.37,;-1.82,-1.67,;-1.82,-.12,;-3.14,.66,;-4.46,-.12,;-5.78,.66,;-5.94,2.21,;-7.49,2.52,;-8.26,1.2,;-7.25,.04,;-7.56,-1.44,;-6.4,-2.52,;-4.93,-1.98,;-6.71,-4,;-8.19,-4.46,;-9.35,-3.45,;-8.96,-1.9,;-10.13,-.89,;-4.85,3.22,;-4.38,4.69,;-3.3,3.53,;-.5,.66,;.81,-.12,)|
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.72,6.29,;-7.62,5.2,;-8.01,3.71,;-6.14,5.59,;-5.04,4.5,;-3.56,4.89,;-2.46,3.79,;-2.85,2.31,;-4.34,1.92,;-5.43,3.01,;-1.76,1.21,;-.27,1.6,;.82,.51,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;4.03,-4.18,;5.43,-4.81,;6.45,-3.64,;5.67,-2.31,;6.29,-.9,;5.36,.35,;3.87,.2,;5.98,1.76,;7.54,1.92,;8.48,.66,;7.86,-.74,;8.72,-1.99,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;-1.06,-1.37,;-2.15,-.27,)|
OC(=O)Cc1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-9.14,3.87,;-7.65,4.26,;-7.18,5.74,;-6.56,3.16,;-5,3.55,;-4.61,5.04,;-3.12,5.43,;-2.03,4.33,;-2.42,2.85,;-3.9,2.46,;-1.33,1.76,;.16,2.15,;1.25,1.05,;.86,-.43,;1.95,-1.52,;3.44,-1.05,;4.53,-2.07,;4.37,-3.63,;5.78,-4.26,;6.87,-3.08,;6.09,-1.76,;6.72,-.35,;8.2,-.2,;9.14,-1.44,;8.82,1.21,;7.96,2.46,;6.4,2.3,;5.78,.9,;4.22,.74,;3.05,-4.41,;2.26,-5.74,;1.48,-4.41,;-.62,-.82,;-1.72,.27,)|
OC(=O)Cc1ccc(cc1)-c1cccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(-9.72,.98,;-8.24,1.37,;-7.85,2.85,;-7.14,.27,;-5.66,.66,;-5.27,2.22,;-3.79,2.62,;-2.69,1.52,;-3.08,.04,;-4.57,-.43,;-1.13,1.91,;-.74,3.4,;.74,3.79,;1.83,2.69,;1.44,1.21,;2.54,.12,;3.94,.59,;5.11,-.43,;4.96,-1.99,;6.36,-2.62,;7.38,-1.44,;6.68,-.12,;7.3,1.29,;6.36,2.54,;4.8,2.38,;6.99,3.94,;8.55,4.1,;9.41,2.85,;8.78,1.44,;9.72,.2,;3.63,-2.77,;2.85,-4.1,;2.07,-2.77,;-.04,.82,)|
OC(=O)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.35,4.41,;-7.26,3.32,;-7.65,1.76,;-5.78,3.71,;-5.39,5.19,;-3.9,5.58,;-2.81,4.49,;-3.2,3.01,;-4.68,2.62,;-2.11,1.91,;-.62,2.3,;.47,1.21,;.08,-.27,;1.17,-1.37,;2.65,-.9,;3.75,-1.91,;3.59,-3.47,;5,-4.1,;6.09,-2.93,;5.31,-1.6,;5.93,-.2,;5,1.05,;3.51,.9,;5.62,2.46,;7.18,2.62,;8.12,1.37,;7.5,-.04,;8.35,-1.29,;2.26,-4.26,;1.48,-5.58,;.7,-4.26,;-1.41,-.66,;-2.5,.43,)|
OC(=O)c1ccc(cc1)-c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
OC(=O)Cc1cccc(c1)-c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)cc1
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)-c1c(Cl)cccc1Cl |(2.62,-6.36,;2.62,-4.8,;1.29,-4.02,;3.94,-4.02,;5.35,-4.72,;6.44,-3.55,;5.66,-2.23,;4.1,-2.54,;3.01,-1.52,;1.52,-1.99,;.43,-.9,;.82,.59,;-.27,1.68,;-1.76,1.29,;-2.15,-.2,;-1.05,-1.29,;-2.85,2.38,;-2.46,3.86,;-3.55,4.96,;-5.04,4.57,;-6.13,5.66,;-7.61,5.27,;-8.71,6.36,;-8,3.79,;-5.43,3.08,;-4.33,1.99,;6.29,-.82,;5.35,.43,;3.79,.27,;5.97,1.91,;7.53,2.07,;8.47,.82,;7.77,-.66,;8.71,-1.91,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)-c1ccccc1OC(F)(F)F
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(CC(O)=O)c1)-c1ccccc1OC(F)(F)F
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)-c1ccccc1C(F)(F)F
OC(=O)C1(CC1)c1cccc(c1)-c1cccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(-5.38,4.25,;-6.87,3.85,;-7.96,4.94,;-7.27,2.37,;-8.76,2.77,;-8.36,1.28,;-6.18,1.28,;-6.57,-.2,;-5.48,-1.29,;-4,-.9,;-3.61,.66,;-4.7,1.74,;-2.13,1.04,;-1.67,2.52,;-.19,2.91,;.9,1.82,;.51,.34,;1.6,-.74,;3,-.28,;4.17,-1.29,;4.01,-2.84,;5.41,-3.47,;6.42,-2.3,;5.65,-.98,;6.35,.42,;5.41,1.67,;3.86,1.51,;6.03,3.07,;7.59,3.22,;8.45,1.98,;7.82,.58,;8.76,-.67,;2.69,-3.62,;1.91,-4.94,;1.13,-3.62,;-1.04,-.04,)|
OC(=O)C1(CC1)c1ccc(cc1)-c1cccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c1 |(-6.77,-2.3,;-7.86,-1.22,;-9.34,-1.61,;-7.46,.27,;-7.86,1.75,;-8.95,.67,;-5.98,.66,;-4.88,-.43,;-3.4,.04,;-3.01,1.52,;-4.1,2.62,;-5.59,2.23,;-1.52,1.92,;-1.13,3.4,;.35,3.79,;1.45,2.7,;1.06,1.21,;2.15,.12,;3.64,.59,;4.81,-.43,;4.65,-1.99,;6.06,-2.62,;7.08,-1.45,;6.3,-.12,;6.92,1.29,;8.48,1.45,;9.34,.2,;9.11,2.85,;8.17,4.1,;6.69,3.95,;6.06,2.54,;4.5,2.38,;3.32,-2.78,;1.76,-2.78,;2.54,-4.1,;-.43,.82,)|
OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.73,1.33,;-7.24,1.73,;-6.15,.64,;-6.84,3.22,;-7.24,4.71,;-8.33,3.62,;-5.35,3.62,;-4.96,5.17,;-3.49,5.56,;-2.4,4.47,;-2.79,2.99,;-4.26,2.53,;-1.7,1.91,;-.22,2.29,;.87,1.21,;.48,-.27,;1.57,-1.36,;3.05,-.89,;4.14,-1.98,;3.98,-3.46,;5.38,-4.08,;6.47,-2.99,;5.69,-1.59,;6.32,-.19,;5.38,1.05,;3.83,.89,;6,2.45,;7.56,2.61,;8.42,1.36,;7.79,-.04,;8.73,-1.28,;2.66,-4.24,;1.88,-5.56,;1.1,-4.24,;-1,-.74,;-2.09,.35,)|
OC(=O)Cc1ccc(cc1Cl)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.75,6.29,;-7.66,5.2,;-8.05,3.71,;-6.17,5.59,;-5.08,4.49,;-3.59,4.88,;-2.5,3.79,;-2.89,2.3,;-4.38,1.91,;-5.47,3.01,;-6.95,2.62,;-1.8,1.21,;-.31,1.6,;.78,.51,;.39,-.98,;1.48,-2.07,;2.97,-1.6,;4.14,-2.62,;3.98,-4.18,;5.39,-4.8,;6.41,-3.63,;5.63,-2.3,;6.25,-.9,;5.39,.35,;3.83,.2,;6.02,1.76,;7.5,1.91,;8.44,.66,;7.81,-.74,;8.75,-1.99,;2.66,-4.96,;1.88,-6.29,;1.09,-4.96,;-1.09,-1.37,;-2.19,-.27,)|
OC(=O)C1(CC1)c1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-4.8,6.53,;-6.28,6.14,;-7.37,7.22,;-6.68,4.65,;-8.17,5.05,;-7.77,3.57,;-5.59,3.57,;-4.11,3.96,;-3.01,2.86,;-3.4,1.38,;-4.89,.99,;-5.98,2.08,;-2.31,.28,;-.82,.67,;.27,-.42,;-.12,-1.91,;.97,-3,;2.46,-2.53,;3.55,-3.55,;3.4,-5.11,;4.8,-5.74,;5.9,-4.56,;5.12,-3.24,;5.74,-1.83,;4.8,-.58,;3.32,-.73,;5.43,.83,;6.99,.99,;7.93,-.26,;7.31,-1.67,;8.17,-2.92,;2.07,-5.89,;1.29,-7.22,;.5,-5.89,;-1.61,-2.3,;-2.7,-1.2,)|
OC(=O)Cc1ccc(cc1F)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(-8.71,6.26,;-7.62,5.1,;-8.01,3.62,;-6.15,5.56,;-5.06,4.47,;-3.58,4.86,;-2.49,3.77,;-2.88,2.29,;-4.36,1.83,;-5.45,2.92,;-6.92,2.53,;-1.79,1.21,;-.31,1.59,;.78,.51,;.39,-.97,;1.48,-2.06,;2.96,-1.59,;4.12,-2.68,;5.6,-2.29,;6.38,-3.7,;5.37,-4.78,;3.97,-4.16,;2.64,-4.94,;1.87,-6.26,;1.09,-4.94,;6.22,-.89,;5.37,.35,;3.81,.19,;5.99,1.75,;7.47,1.91,;8.4,.66,;7.78,-.74,;8.71,-1.98,;-1.09,-1.44,;-2.18,-.35,)|
OC(=O)Cc1ccc(c(F)c1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(-8.71,6.26,;-7.62,5.17,;-8.01,3.69,;-6.07,5.56,;-4.98,4.47,;-5.44,2.99,;-4.36,1.91,;-2.8,2.29,;-2.41,3.77,;-.93,4.16,;-3.5,4.86,;-1.71,1.21,;-.23,1.59,;.86,.51,;.47,-.97,;1.56,-2.06,;2.96,-1.59,;4.12,-2.61,;5.6,-2.29,;6.38,-3.62,;5.37,-4.78,;3.97,-4.16,;2.64,-4.94,;1.87,-6.26,;1.09,-4.94,;6.3,-.89,;5.37,.35,;3.81,.19,;5.99,1.75,;7.54,1.91,;8.4,.66,;7.78,-.74,;8.71,-1.98,;-1.09,-1.36,;-2.18,-.27,)|
Cc1cc(CC(O)=O)ccc1-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(-.98,4.18,;-2.46,3.79,;-3.56,4.89,;-5.04,4.5,;-6.14,5.59,;-7.62,5.2,;-8.72,6.29,;-8.01,3.71,;-5.43,3.01,;-4.34,1.92,;-2.85,2.31,;-1.76,1.21,;-.27,1.6,;.82,.51,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;5.67,-2.31,;6.45,-3.64,;5.43,-4.81,;4.03,-4.18,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;6.29,-.9,;5.35,.35,;3.87,.2,;5.98,1.76,;7.54,1.92,;8.48,.66,;7.86,-.74,;8.72,-1.99,;-1.06,-1.37,;-2.15,-.27,)|
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(-8.67,6.26,;-7.58,5.17,;-7.97,3.69,;-6.11,5.56,;-5.02,4.47,;-3.54,4.86,;-2.45,3.77,;-2.84,2.29,;-4.32,1.91,;-5.41,2.99,;-1.75,1.21,;-.27,1.59,;.82,.51,;.43,-.97,;1.52,-2.06,;2.99,-1.59,;4.08,-2.61,;3.93,-4.08,;5.33,-4.78,;6.42,-3.62,;5.64,-2.29,;6.26,-.89,;5.33,.35,;3.77,.19,;5.95,1.83,;7.51,1.98,;8.44,.74,;7.74,-.66,;8.67,-1.98,;2.61,-4.86,;1.83,-6.26,;1.05,-4.86,;-1.05,-1.36,;-2.14,-.27,;-3.62,-.66,)|
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(Cl)c1 |(-8.71,6.29,;-7.61,5.19,;-8,3.71,;-6.13,5.58,;-5.04,4.49,;-3.55,4.88,;-2.46,3.79,;-2.85,2.3,;-4.33,1.91,;-5.43,3.01,;-1.76,1.21,;-2.15,-.27,;-1.05,-1.37,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.1,-2.62,;3.94,-4.18,;5.35,-4.8,;6.44,-3.63,;5.66,-2.3,;6.29,-.9,;5.35,.35,;3.79,.2,;5.97,1.76,;7.54,1.91,;8.47,.66,;7.77,-.74,;8.71,-1.99,;2.62,-4.96,;1.83,-6.29,;1.05,-4.96,;.82,.51,;2.3,.9,;-.27,1.6,)|
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1F |(-8.71,6.26,;-7.62,5.17,;-8.01,3.69,;-6.07,5.56,;-4.98,4.47,;-3.5,4.86,;-2.41,3.77,;-2.8,2.29,;-4.36,1.91,;-5.44,2.99,;-1.71,1.21,;-.23,1.59,;.86,.51,;.47,-.97,;1.56,-2.06,;2.96,-1.59,;4.12,-2.61,;5.6,-2.29,;6.38,-3.62,;5.37,-4.78,;3.97,-4.08,;2.64,-4.86,;1.87,-6.26,;1.09,-4.86,;6.3,-.89,;5.37,.35,;3.81,.19,;5.99,1.83,;7.54,1.98,;8.4,.74,;7.78,-.66,;8.71,-1.98,;-1.09,-1.36,;-2.18,-.27,;-3.66,-.66,)|
OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)c(F)c1 |(-8.67,6.26,;-7.58,5.17,;-7.97,3.69,;-6.11,5.56,;-5.02,4.47,;-3.54,4.86,;-2.45,3.77,;-2.84,2.29,;-4.32,1.91,;-5.41,2.99,;-1.75,1.21,;-2.14,-.27,;-1.05,-1.36,;.43,-.97,;1.52,-2.06,;2.99,-1.59,;4.08,-2.61,;5.64,-2.29,;6.42,-3.62,;5.33,-4.78,;3.93,-4.08,;2.61,-4.86,;1.83,-6.26,;1.05,-4.86,;6.26,-.89,;5.33,.35,;3.77,.19,;5.95,1.83,;7.51,1.98,;8.44,.74,;7.74,-.66,;8.67,-1.98,;.82,.51,;2.29,.97,;-.27,1.59,)|
Cc1cc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)ccc1-c1ccc(CC(O)=O)cc1 |(-3.64,-.66,;-2.15,-.27,;-1.06,-1.37,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;5.67,-2.31,;6.45,-3.64,;5.43,-4.81,;4.03,-4.18,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;6.29,-.9,;7.86,-.74,;8.72,-1.99,;8.48,.66,;7.54,1.92,;5.98,1.76,;5.36,.35,;3.87,.2,;.82,.51,;-.27,1.6,;-1.76,1.21,;-2.85,2.31,;-2.46,3.79,;-3.56,4.89,;-5.04,4.5,;-6.14,5.59,;-7.62,5.2,;-8.72,6.29,;-8.01,3.71,;-5.43,3.01,;-4.34,1.92,)|
Cc1cc(ccc1OCc1c(noc1C1CC1)-c1c(Cl)cccc1Cl)-c1ccc(CC(O)=O)cc1 |(2.33,.89,;.86,.51,;-.23,1.59,;-1.71,1.21,;-2.18,-.35,;-1.09,-1.44,;.47,-.97,;1.56,-2.06,;2.96,-1.59,;4.12,-2.68,;5.6,-2.29,;6.38,-3.69,;5.37,-4.78,;3.97,-4.16,;2.64,-4.94,;1.87,-6.26,;1.09,-4.94,;6.3,-.89,;5.37,.35,;3.81,.19,;5.99,1.75,;7.54,1.91,;8.4,.66,;7.78,-.74,;8.71,-1.98,;-2.8,2.29,;-2.41,3.77,;-3.5,4.86,;-4.98,4.47,;-6.07,5.56,;-7.62,5.09,;-8.71,6.26,;-8.01,3.62,;-5.44,2.92,;-4.36,1.83,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C1(CC1)C(O)=O)-c1c(Cl)cccc1Cl |(2.66,-5.71,;2.66,-4.14,;1.33,-3.36,;3.99,-3.36,;5.47,-3.99,;6.49,-2.81,;5.71,-1.49,;4.22,-1.8,;3.05,-.78,;1.57,-1.25,;.47,-.16,;.86,1.33,;-.23,2.42,;-1.72,2.03,;-2.11,.55,;-1.01,-.55,;-2.81,3.13,;-2.42,4.61,;-3.52,5.71,;-5,5.32,;-5.39,3.83,;-4.3,2.74,;-6.88,3.43,;-8.36,3.83,;-7.27,4.92,;-7.27,1.95,;-8.76,1.55,;-6.19,.86,;6.33,-.08,;5.4,1.17,;3.91,1.02,;6.02,2.58,;7.59,2.74,;8.52,1.49,;7.9,.08,;8.76,-1.17,)|
OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)cc1
OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)cc1
CC(C)c1onc(c1COc1ccc(cc1)-c1cccc(c1)C1(CC1)C(O)=O)-c1ccccc1OC(F)(F)F
CC(C)(C(O)=O)c1ccc(cc1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(-4.98,6.18,;-6.07,5.09,;-6.53,6.65,;-7.62,4.71,;-8.71,5.79,;-8.01,3.23,;-4.98,4.01,;-3.5,4.47,;-2.41,3.38,;-2.8,1.83,;-4.36,1.44,;-5.44,2.53,;-1.71,.74,;-.23,1.21,;.86,.12,;.47,-1.44,;1.56,-2.53,;2.96,-1.98,;4.12,-3.07,;5.6,-2.76,;6.38,-4.08,;5.37,-5.17,;3.97,-4.55,;2.64,-5.33,;1.87,-6.65,;1.09,-5.33,;6.3,-1.36,;5.37,-.04,;3.81,-.27,;5.99,1.36,;7.54,1.52,;8.4,.27,;7.78,-1.13,;8.71,-2.37,;-1.09,-1.83,;-2.18,-.74,)|
CC(C)(C(O)=O)c1cccc(c1)-c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1 |(-7.61,2.07,;-6.52,3.16,;-6.13,1.68,;-7.61,4.26,;-9.1,3.87,;-7.22,5.74,;-5.04,3.55,;-4.65,5.04,;-3.16,5.43,;-2.07,4.33,;-2.46,2.85,;-3.94,2.46,;-1.37,1.76,;.12,2.15,;1.21,1.05,;.82,-.43,;1.91,-1.52,;3.4,-1.05,;4.57,-2.07,;6.05,-1.76,;6.83,-3.08,;5.82,-4.26,;4.33,-3.63,;3.01,-4.41,;2.23,-5.74,;1.44,-4.41,;6.68,-.35,;5.74,.9,;4.26,.74,;6.36,2.3,;7.93,2.46,;8.86,1.21,;8.24,-.2,;9.1,-1.44,;-.66,-.82,;-1.76,.27,)|
OC(=O)C1(CC1)c1ccc(cc1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-8.71,5.88,;-7.62,4.8,;-8.02,3.31,;-6.14,5.19,;-5.05,6.28,;-6.54,6.68,;-5.05,4.11,;-3.57,4.5,;-2.47,3.4,;-2.86,1.92,;-4.35,1.53,;-5.44,2.62,;-1.77,.82,;-.28,1.22,;.81,.12,;.42,-1.36,;-1.06,-1.75,;-2.16,-.66,;1.52,-2.46,;3,-1.99,;4.1,-3.01,;3.94,-4.57,;5.35,-5.19,;6.44,-4.02,;5.66,-2.69,;6.28,-1.29,;5.35,-.04,;3.86,-.19,;5.97,1.37,;7.54,1.53,;8.47,.28,;7.85,-1.13,;8.71,-2.38,;2.61,-5.35,;1.83,-6.68,;1.05,-5.35,)|
OC(=O)Cc1ccc(cc1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-8.67,6.26,;-7.58,5.09,;-7.97,3.62,;-6.11,5.56,;-5.02,4.47,;-3.54,4.86,;-2.45,3.77,;-2.84,2.29,;-4.32,1.83,;-5.41,2.92,;-1.75,1.21,;-.27,1.59,;.82,.51,;.43,-.97,;-1.05,-1.44,;-2.14,-.35,;1.52,-2.06,;2.99,-1.59,;4.08,-2.68,;3.93,-4.16,;5.33,-4.78,;6.42,-3.69,;5.64,-2.29,;6.26,-.89,;7.74,-.74,;8.67,-1.98,;8.44,.66,;7.51,1.91,;5.95,1.75,;5.33,.35,;3.77,.19,;2.61,-4.94,;1.83,-6.26,;1.05,-4.94,)|
OC(=O)Cc1cccc(c1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-9.1,3.86,;-7.61,4.26,;-7.22,5.74,;-6.52,3.16,;-5.04,3.55,;-4.65,5.04,;-3.16,5.43,;-2.07,4.33,;-2.46,2.85,;-3.94,2.46,;-1.37,1.76,;.12,2.15,;1.21,1.05,;.82,-.43,;-.66,-.82,;-1.76,.27,;1.91,-1.52,;3.4,-1.05,;4.57,-2.07,;4.33,-3.63,;5.82,-4.26,;6.83,-3.08,;6.05,-1.76,;6.68,-.35,;8.24,-.2,;9.1,-1.44,;8.86,1.21,;7.93,2.46,;6.36,2.3,;5.74,.9,;4.26,.74,;3.01,-4.41,;2.23,-5.74,;1.44,-4.41,)|
CC(C)c1onc(c1CN1CCN(CC1)c1cc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(1.52,1.09,;2.61,2.18,;2.21,3.67,;4.09,1.78,;5.24,2.81,;6.57,2.04,;6.25,.54,;4.72,.38,;3.95,-.96,;2.41,-.96,;1.64,-2.29,;.1,-2.29,;-.67,-.96,;.1,.38,;1.64,.38,;-2.21,-.96,;-3.11,.29,;-4.58,-.19,;-5.91,.58,;-7.25,-.19,;-7.25,-1.73,;-5.91,-2.5,;-4.58,-1.73,;-3.11,-2.2,;-2.64,-3.67,;-8.58,.58,;-9.91,-.19,;-8.58,2.12,;7.34,-.55,;8.83,-.15,;9.23,1.33,;9.91,-1.24,;9.52,-2.73,;8.04,-3.13,;6.94,-2.05,;5.45,-2.45,)|
CC(C)c1onc(c1CN1CCN(CC1)c1nc2ccc(cc2o1)C(O)=O)-c1c(Cl)cccc1Cl |(1.52,.82,;2.61,1.91,;2.21,3.4,;4.09,1.51,;5.24,2.54,;6.57,1.77,;6.25,.27,;4.72,.11,;3.95,-1.23,;2.41,-1.23,;1.64,-2.56,;.1,-2.56,;-.67,-1.23,;.1,.11,;1.64,.11,;-2.21,-1.23,;-3.11,-2.47,;-4.58,-2,;-5.91,-2.77,;-7.25,-2,;-7.25,-.46,;-5.91,.31,;-4.58,-.46,;-3.11,.02,;-8.58,.31,;-9.91,-.46,;-8.58,1.85,;7.34,-.82,;6.94,-2.32,;5.45,-2.72,;8.04,-3.4,;9.52,-3,;9.91,-1.51,;8.83,-.42,;9.23,1.06,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1)C(O)=O |(2.2,6.04,;3.74,6.02,;4.49,4.67,;6.03,4.65,;6.78,3.3,;5.98,1.98,;4.44,2,;3.4,.87,;2,1.52,;2.18,3.05,;3.7,3.35,;.65,.77,;-.67,1.57,;-2.01,.82,;-2.04,-.72,;-3.38,-1.47,;-3.41,-3.01,;-2.18,-3.94,;-2.67,-5.39,;-4.21,-5.37,;-4.67,-3.9,;-6.15,-3.47,;-6.53,-1.97,;-5.42,-.9,;-8.01,-1.56,;-9.11,-2.63,;-8.73,-4.12,;-7.26,-4.55,;-6.88,-6.04,;-.68,-3.56,;-.26,-2.08,;.39,-4.67,;-.72,-1.51,;.63,-.77,;8.32,3.28,;9.11,4.6,;9.06,1.93,)|
[H][C@@]1(CC[C@@]2([H])C3[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r|
COc1cc(cc2sc(nc12)C1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)C1)C(O)=O |(2.15,3.5,;3.69,3.5,;4.46,2.17,;6,2.17,;6.77,.84,;6.01,-.5,;4.46,-.5,;3.43,-1.64,;2.03,-1.01,;2.19,.52,;3.69,.84,;.69,-1.78,;.45,-3.27,;-1.08,-3.5,;-1.79,-2.14,;-3.28,-1.74,;-3.67,-.26,;-2.64,.89,;-3.41,2.22,;-4.92,1.9,;-5.08,.37,;-6.42,-.4,;-7.74,.37,;-7.74,1.91,;-9.08,-.4,;-9.08,-1.95,;-7.74,-2.71,;-6.42,-1.94,;-5.08,-2.71,;-1.1,.89,;-.33,2.22,;-.33,-.44,;-.7,-1.05,;8.31,.84,;9.08,2.17,;9.08,-.49,)|
COc1cc(cc2sc(nc12)N1CCC(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)C1)C(O)=O |(2.32,3.41,;3.86,3.33,;4.56,1.96,;6.1,1.88,;6.8,.52,;5.97,-.78,;4.42,-.7,;3.34,-1.79,;1.96,-1.09,;2.21,.43,;3.73,.67,;.59,-1.79,;.27,-3.26,;-1.27,-3.41,;-1.9,-2.02,;-3.37,-1.54,;-3.69,-.04,;-2.6,1.05,;-3.3,2.43,;-4.82,2.18,;-5.06,.66,;-6.43,-.04,;-6.51,-1.58,;-5.22,-2.42,;-7.88,-2.28,;-9.17,-1.44,;-9.09,.1,;-7.72,.8,;-7.64,2.34,;-1.06,.97,;-.22,2.27,;-.36,-.4,;-.76,-.99,;8.34,.44,;9.17,1.73,;9.04,-.94,)|
COc1cc(cc2sc(nc12)C1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;.37,1.42,;-1.12,1.81,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-8.16,3.24,;-8.16,4.78,;-9.5,2.47,;-9.5,.92,;-8.16,.16,;-6.83,.93,;-5.5,.16,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.81,-.76,;-.32,-1.16,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCC(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;.37,1.42,;-1.12,1.81,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.81,-.76,;-.32,-1.16,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
CC(C)c1onc(c1CN1CCCN(CC1)c1c(onc1-c1c(Cl)cccc1Cl)C(C)C)-c1c(Cl)cccc1Cl |(1.46,1.79,;3,1.79,;3.77,3.13,;3.77,.46,;5.31,.46,;5.7,-1.11,;4.41,-1.95,;3.22,-.98,;1.73,-1.38,;.64,-.29,;-.79,-.82,;-2.12,-.05,;-2.34,1.48,;-1.28,2.6,;.25,2.46,;1.1,1.18,;-1.68,4.08,;-.65,5.23,;-1.42,6.56,;-2.92,6.24,;-3.08,4.71,;-4.42,3.94,;-4.42,2.4,;-3.08,1.63,;-5.74,1.63,;-7.08,2.39,;-7.08,3.94,;-5.75,4.71,;-5.75,6.25,;.89,5.23,;1.66,6.56,;1.66,3.89,;4.41,-3.49,;5.75,-4.26,;7.08,-3.49,;5.75,-5.79,;4.41,-6.56,;3.07,-5.8,;3.07,-4.26,;1.74,-3.49,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1C)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.83,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
CCC1CN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CCN1c1nc2c(OC)cc(cc2s1)C(O)=O |(1.06,3.99,;1.46,2.5,;.37,1.42,;-1.12,1.81,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.81,-.76,;-.32,-1.16,;.77,-.07,;2.26,-.47,;3.45,.5,;4.74,-.34,;6.23,.06,;6.62,1.54,;5.54,2.63,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.83,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1C(C)C)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.83,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.46,2.5,;1.06,3.99,;2.95,2.11,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1(C)C)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.86,1.81,;.77,2.9,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1C)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.19,2.98,;-.19,4.52,;-1.12,1.81,;.37,1.41,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)C[C@H]1C)C(O)=O |r,wU:33.39,(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.19,2.98,;-.19,4.52,;-1.12,1.81,;.37,1.42,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)C[C@@H]1C)C(O)=O |r,wD:33.39,(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.19,2.98,;-.19,4.52,;-1.12,1.81,;.37,1.42,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
C[C@@H]1CN(Cc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CCN1c1nc2c(F)cc(cc2s1)C(O)=O |r,wU:1.0,(1.46,2.5,;.37,1.42,;-1.12,1.81,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.19,2.98,;-.19,4.52,;-1.81,-.76,;-.32,-1.16,;.77,-.07,;2.26,-.47,;3.45,.5,;4.74,-.34,;6.23,.06,;6.62,1.54,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
CC(C)c1onc(c1CN1CCN(CC1)c1cc2cc(ccc2s1)C(O)=O)-c1c(Cl)cccc1Cl |(1.52,.82,;2.61,1.91,;2.21,3.4,;4.09,1.51,;5.24,2.54,;6.57,1.77,;6.25,.27,;4.72,.11,;3.95,-1.23,;2.41,-1.23,;1.64,-2.56,;.1,-2.56,;-.67,-1.23,;.1,.11,;1.64,.11,;-2.21,-1.23,;-3.11,.02,;-4.58,-.46,;-5.91,.31,;-7.25,-.46,;-7.25,-2,;-5.91,-2.77,;-4.58,-2,;-3.11,-2.47,;-8.58,.31,;-9.91,-.46,;-8.58,1.85,;7.34,-.82,;6.94,-2.32,;5.45,-2.72,;8.04,-3.4,;9.52,-3,;9.91,-1.51,;8.83,-.42,;9.23,1.06,)|
CC(C)c1onc(c1CN1CCN(CC1)c1nc2cc(ccc2s1)C(O)=O)-c1c(Cl)cccc1Cl |(1.52,1.28,;2.61,2.37,;2.21,3.85,;4.09,1.97,;5.24,3,;6.57,2.23,;6.25,.72,;4.72,.56,;3.95,-.77,;2.41,-.77,;1.64,-2.11,;.1,-2.11,;-.67,-.77,;.1,.56,;1.64,.56,;-2.21,-.77,;-3.11,-2.02,;-4.58,-1.54,;-5.91,-2.31,;-7.25,-1.54,;-7.25,-0,;-5.91,.77,;-4.58,-0,;-3.11,.47,;-8.58,-2.31,;-8.58,-3.85,;-9.91,-1.54,;7.34,-.37,;6.94,-1.86,;5.45,-2.26,;8.04,-2.94,;9.52,-2.54,;9.91,-1.06,;8.83,.03,;9.23,1.52,)|
CC(C)c1onc(c1CN1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |(1.52,.82,;2.61,1.91,;2.21,3.4,;4.09,1.51,;5.24,2.54,;6.57,1.77,;6.25,.27,;4.72,.11,;3.95,-1.23,;2.41,-1.23,;1.64,-2.56,;.1,-2.56,;-.67,-1.23,;.1,.11,;1.64,.11,;-2.21,-1.23,;-3.11,-2.47,;-4.58,-2,;-5.91,-2.77,;-7.25,-2,;-7.25,-.46,;-5.91,.31,;-4.58,-.46,;-3.11,.02,;-8.58,.31,;-9.91,-.46,;-8.58,1.85,;7.34,-.82,;6.94,-2.32,;5.45,-2.72,;8.04,-3.4,;9.52,-3,;9.91,-1.51,;8.83,-.42,;9.23,1.06,)|
CC(C)c1onc(c1CN1CCN(CC1)c1nc2cccc(C(O)=O)c2s1)-c1c(Cl)cccc1Cl |(.18,.82,;1.27,1.91,;.87,3.4,;2.76,1.51,;3.9,2.54,;5.24,1.77,;4.92,.27,;3.39,.11,;2.62,-1.23,;1.08,-1.23,;.31,-2.56,;-1.23,-2.56,;-2,-1.23,;-1.23,.11,;.31,.11,;-3.54,-1.23,;-4.45,-2.47,;-5.91,-2,;-7.25,-2.77,;-8.58,-2,;-8.58,-.46,;-7.25,.31,;-7.25,1.85,;-5.91,2.62,;-8.58,2.62,;-5.91,-.46,;-4.45,.02,;6.01,-.82,;5.61,-2.32,;4.12,-2.72,;6.7,-3.4,;8.18,-3,;8.58,-1.51,;7.5,-.42,;7.89,1.06,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)C[C@H]1C)C(O)=O |r,wU:33.38,(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.83,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)C[C@@H]1C)C(O)=O |r,wD:33.38,(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.83,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.41,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC11CC1)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.86,1.81,;.77,2.9,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
COc1cc(cc2sc(nc12)N1CCN(Cc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)CC1=O)C(O)=O |(5.54,2.63,;6.62,1.54,;6.23,.06,;7.31,-1.03,;6.92,-2.51,;5.44,-2.92,;4.34,-1.83,;2.81,-1.91,;2.26,-.47,;3.45,.5,;4.74,-.34,;.77,-.07,;-.32,-1.16,;-1.81,-.76,;-2.21,.72,;-3.69,1.12,;-4.09,2.61,;-3.06,3.76,;-3.83,5.09,;-5.34,4.77,;-5.5,3.24,;-6.83,2.47,;-6.83,.93,;-5.5,.16,;-8.16,.16,;-9.5,.92,;-9.5,2.47,;-8.16,3.24,;-8.16,4.78,;-1.52,3.76,;-.75,5.09,;-.75,2.42,;-1.12,1.81,;.37,1.42,;1.46,2.5,;8.01,-3.6,;9.5,-3.2,;7.61,-5.09,)|
C[C@H](N1C(=O)C2CCCCC2C1=O)C(=O)N1[C@@H](C)C[C@@H](Nc2ccccc2)c2ccccc12 |r|
CCOC(=O)C1=C(N=c2s\c(=C/c3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1)c1ccccc1 |r,t:5,7|
Cc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)c(C)n1-c1ccc(Cl)cc1Cl |(-5.56,.29,;-4.47,1.38,;-2.97,1.06,;-2.2,2.39,;-.66,2.39,;.11,1.06,;-.51,-.35,;.63,-1.38,;.63,-2.92,;-.7,-3.69,;-.7,-5.23,;-2.03,-5.99,;-3.37,-5.22,;-3.37,-3.69,;-2.04,-2.91,;1.96,-.61,;3.3,-1.38,;4.63,-.61,;4.63,.94,;5.96,1.7,;7.3,.93,;7.3,-.6,;5.97,-1.38,;8.63,1.7,;9.97,.93,;8.63,3.24,;1.64,.9,;2.73,1.99,;-3.23,3.54,;-2.83,5.03,;-4.63,2.91,;-5.97,3.68,;-5.97,5.22,;-7.3,5.99,;-8.63,5.22,;-9.97,5.99,;-8.63,3.68,;-7.29,2.91,;-7.29,1.37,)|
CC#C[C@@H](CC(O)=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OCc1cccc(C)c1
Oc1ccc(Cl)cc1N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.21.24,23:22:25:19.18.17,THB:19:18:25.20.21:24|
c1cc(c(cc1Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)N
Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCC(=O)c2ccc(O)cc2)c1
Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc12
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(Cc2ccco2)C(=O)c2ccccc2F)cc1
COc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
CCN(CC)c1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(CC2CC2)C(=O)c2cccc(F)c2)cc1
CCN(CC)c1ccc(CN(CC2CC2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
CCC(C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1ccccc1Cl
CC(=O)Nc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2CN(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1
COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
COc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6c(F)cccc6Cl)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)CC4C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6c(F)cccc6Cl)noc5C5CC5)CC4C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(OCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC4C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6c(F)cccc6Cl)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4(CC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)C4)C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)CC4C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6c(F)cccc6Cl)noc5C5CC5)CC4C3)cc21
Cn1cc(C(=O)O)c2ccc(N3CC4CC(COCc5c(-c6ccccc6OC(F)(F)F)noc5C5CC5)CC4C3)cc21
O=C(O)c1cc(F)c2nc(N3C4CCC3CC(F)(COCc3c(-c5ccccc5)noc3C3CC3)C4)sc2c1
Cn1c(C(=O)O)cc2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21
O=C(O)c1cc2ccc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc2s1
O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1
O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(OCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)sc2c1
O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)sc2c1
O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)sc2c1
O=C(O)c1cc(F)c2nc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1
O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)ccc12
O=C(O)c1coc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)ccc12
CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21
Cn1c(C(=O)O)cc2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)cc21
O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)ccc12
O=C(O)c1csc2cc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)ccc12
CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5c(F)cccc5Cl)noc3C3CC3)C4)cc21
CCn1cc(C(=O)O)c2ccc(N3CCC4(CC3)CC(COCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)cc21
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1
COc1ccccc1OCC1CN(C(=O)C2CCC(N(Cc3ccc(F)cc3)C(=O)OC(C)(C)C)CC2)CCO1
CCOC(=O)C1CCN(C(=O)Cc2ccc(N(Cc3cccc(F)c3)C(=O)c3ccccc3C)cc2)CC1
COc1ccc(S(=O)(=O)Nc2ccc(CN(C(=O)c3ccco3)C3CCCCC3)c(N(C)C)c2)cc1
CCOc1ccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2nc(C(=O)N3CCN(C(C)=O)CC3)co2)cc1
COc1cccc(OCC2c3ccsc3CCN2C(=O)CN(CC2CCCO2)C(=O)CC(C)C)c1
CCC(C(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)C(C)C)ccc1N(C)C)c1ccccc1
[H][C@@]12CC(=O)\C(=C/C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
O=C(Cc1ccc(N(Cc2cccc(Cl)c2)C(=O)C2CCCC2)cc1)NCc1ccc2c(c1)OCO2
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc4ccccc4c3)cc2)c1
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(-c4ccccc4)cc3)cc2)c1
Cc1ccc(CNC(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)C3CCCC3)cc2)cc1
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2)c1
Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCc3ccc(C(C)C)cc3)cc2)c1
CCOC(=O)c1ccc(CNC(=O)Cc2ccc(N(Cc3cccc(C)c3)C(=O)C3CCCC3)cc2)cc1
Cc1cccc(CN(C(=O)C2CCCCC2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
Cc1cccc(CN(C(=O)c2ccccc2C)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1
CCc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1
Cc1cccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)c1
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H]([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |r,c:16|
C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |c:17|
CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3[C@H]([C@H](O)OC3=O)[C@@]12C |r,c:24|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |r,c:16|
CO[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 |t:6|
C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |c:17|
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|
CC(C)CN(c1ccc(COc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(COc2cccc(CC(=O)O)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(COc2ccc3c(CC(=O)O)coc3c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(COc2ccc(OCC(=O)O)cc2F)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC#CC(CC(=O)O)c1ccc(OCc2ccc(N(CC(C)C)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1
CC(C)CN(c1ccc(-c2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2cccc(C(=O)O)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1nc(-c2ccc(N(CC(C)C)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)sc1C(=O)O
CC(C)CN(c1ccc(-c2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CNC(=O)c1ccc(-c2ccc(N(CC(C)C)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1
CC(C)CN(c1ccc(-c2ccc(C(=O)NC3CC3)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(CC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2cccc(CC(=O)O)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2cccc(C3(C(=O)O)CC3)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(CCC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)cc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(OC(C)C(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
CC(C)CN(c1ccc(-c2ccc(OC(C)(C)C(=O)O)c(F)c2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl
Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1
Cc1ccc(S(=O)(=O)N(CC2CC2)c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1
O=C(O)c1cccc(-c2ccc(N(CC3CC3)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)c1
Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)cc1
Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccc(-c3ccc(OCC(=O)O)c(F)c3)cc2)cc1
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)c1ccccc1
CC(C)CN(c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1)S(=O)(=O)C1CCCCC1
CC(C)CN(C(=O)c1c(Cl)cccc1Cl)c1ccc(-c2ccc(OCC(=O)O)c(F)c2)cc1
O=C(O)COc1ccc(-c2ccc(N(CC3CC3)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1F
O=C(O)COc1ccc(-c2ccc(N(Cc3ccccc3)S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1F
CC[C@@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |r,wD:2.2,(33.96,-41.84,;32.5,-42.33,;32.19,-43.84,;30.73,-44.33,;33.35,-44.86,;34.85,-44.53,;35.63,-45.86,;34.6,-47.01,;33.2,-46.39,;31.87,-47.16,;30.54,-46.4,;29.21,-47.18,;27.86,-46.41,;26.54,-47.19,;26.55,-48.72,;25.22,-49.5,;23.88,-48.73,;22.55,-49.51,;22.55,-51.06,;21.22,-51.83,;19.88,-51.06,;19.89,-49.51,;21.21,-48.74,;18.55,-48.75,;18.55,-47.21,;17.21,-49.52,;27.88,-49.49,;27.88,-51.03,;29.21,-48.72,;34.93,-48.51,;33.78,-49.54,;32.32,-49.07,;34.1,-51.04,;35.57,-51.52,;36.72,-50.48,;36.39,-48.98,;37.53,-47.94,)|
CC[C@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |r,wU:2.2,(10.7,-43.27,;9.24,-43.76,;8.93,-45.27,;7.47,-45.76,;10.08,-46.29,;11.59,-45.96,;12.36,-47.29,;11.34,-48.44,;9.94,-47.82,;8.61,-48.59,;7.27,-47.83,;5.94,-48.61,;4.6,-47.84,;3.27,-48.62,;3.28,-50.15,;1.95,-50.93,;.62,-50.16,;-.71,-50.94,;-.71,-52.49,;-2.05,-53.26,;-3.38,-52.49,;-3.38,-50.94,;-2.05,-50.17,;-4.72,-50.18,;-4.72,-48.64,;-6.05,-50.95,;4.62,-50.92,;4.62,-52.46,;5.95,-50.15,;11.66,-49.94,;10.52,-50.97,;9.05,-50.5,;10.84,-52.48,;12.31,-52.95,;13.45,-51.91,;13.12,-50.41,;14.26,-49.37,)|
CCC(CC)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(32.14,-25.41,;33.29,-26.43,;32.99,-27.94,;31.53,-28.43,;30.37,-27.41,;34.14,-28.96,;35.64,-28.63,;36.42,-29.96,;35.4,-31.11,;34,-30.49,;32.67,-31.27,;31.33,-30.5,;30,-31.28,;28.65,-30.51,;27.33,-31.29,;27.34,-32.82,;26.01,-33.6,;24.67,-32.83,;23.34,-33.61,;23.35,-35.16,;22.01,-35.93,;20.68,-35.16,;20.68,-33.62,;22.01,-32.84,;19.34,-32.85,;19.34,-31.31,;18.01,-33.62,;28.67,-33.59,;28.68,-35.13,;30,-32.82,;35.72,-32.61,;34.57,-33.64,;33.11,-33.17,;34.9,-35.15,;36.36,-35.62,;37.51,-34.58,;37.18,-33.08,;38.32,-32.04,)|
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(-6.07,-30.87,;-6.07,-32.41,;-7.4,-33.18,;-4.73,-33.18,;-4.73,-34.72,;-3.4,-35.5,;-2.06,-34.72,;-2.07,-33.17,;-.74,-32.4,;.6,-33.16,;1.93,-32.39,;1.92,-30.86,;3.24,-30.08,;4.59,-30.84,;5.92,-30.07,;7.26,-30.83,;8.59,-30.05,;9.99,-30.68,;11.01,-29.53,;10.23,-28.2,;8.73,-28.53,;7.57,-27.5,;7.72,-25.97,;6.31,-25.36,;5.29,-26.51,;6.07,-27.84,;10.31,-32.17,;9.16,-33.21,;7.7,-32.73,;9.49,-34.71,;10.95,-35.18,;12.1,-34.14,;11.77,-32.64,;12.91,-31.61,;4.59,-32.39,;3.26,-33.16,;3.27,-34.7,;-3.4,-32.41,)|
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(21.49,-15.58,;21.49,-17.12,;20.16,-17.89,;22.83,-17.89,;22.83,-19.43,;24.17,-20.2,;25.5,-19.43,;25.5,-17.88,;26.83,-17.11,;28.16,-17.87,;29.5,-17.1,;29.48,-15.57,;30.81,-14.79,;32.15,-15.55,;33.48,-14.78,;34.82,-15.54,;36.15,-14.76,;37.55,-15.39,;38.57,-14.24,;37.8,-12.91,;36.29,-13.23,;35.14,-12.22,;35.05,-10.68,;33.51,-10.77,;33.6,-12.31,;37.87,-16.88,;36.73,-17.92,;35.26,-17.44,;37.05,-19.42,;38.52,-19.89,;39.66,-18.85,;39.33,-17.35,;40.47,-16.31,;32.16,-17.09,;30.83,-17.87,;30.83,-19.41,;24.16,-17.12,)|
CC(C)c1onc([C@H]2C[C@@H]2c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1 |r|
CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2cccc3ccccc23)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccc3ccccc3c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(Cl)cc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(F)cc(F)cc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(Cl)cc(F)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2cc(Cl)cc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccc(Cl)c(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2cc(Cl)ccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2cccc(Cl)c2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(F)cccc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(F)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(C)cccc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(C)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccc(Cl)cc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2cccc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CS(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CNc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CO)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(COC(C)(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CCCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(CCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(Cc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(17.99,6,;18.36,4.5,;17.26,3.43,;19.85,4.08,;21.08,5,;22.33,4.1,;21.86,2.63,;20.32,2.62,;19.57,1.28,;18.03,1.28,;17.26,-.06,;18.04,-1.38,;17.28,-2.72,;15.74,-2.73,;14.7,-3.87,;13.3,-3.25,;13.46,-1.72,;14.97,-1.4,;15.72,-.07,;11.97,-4.03,;11.98,-5.56,;10.65,-6.33,;9.3,-5.57,;9.3,-4.03,;10.64,-3.25,;7.97,-3.25,;6.64,-4.03,;7.97,-1.71,;22.67,1.32,;24.2,1.36,;24.93,2.72,;25,.05,;24.27,-1.31,;22.72,-1.35,;21.92,-.03,;20.38,-.07,)|
CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(1.03,-6.64,;1.42,-8.13,;.31,-9.21,;2.9,-8.56,;4.13,-7.64,;5.38,-8.54,;4.91,-10.01,;3.38,-10.02,;2.61,-11.35,;1.07,-11.36,;.31,-12.7,;1.08,-14.02,;.33,-15.36,;-1.22,-15.37,;-2.25,-16.52,;-3.66,-15.89,;-3.5,-14.36,;-1.99,-14.04,;-1.23,-12.7,;-4.99,-16.66,;-6.31,-15.89,;-7.65,-16.66,;-7.65,-18.2,;-6.3,-18.97,;-4.98,-18.2,;-8.98,-18.97,;-8.98,-20.51,;-10.32,-18.21,;5.71,-11.31,;7.24,-11.28,;7.98,-9.93,;8.05,-12.58,;7.31,-13.95,;5.77,-13.98,;4.97,-12.67,;3.43,-12.7,)|
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O
CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(1.21,-18.42,;1.59,-19.91,;.49,-20.98,;3.07,-20.34,;4.3,-19.42,;5.56,-20.32,;5.09,-21.79,;3.55,-21.8,;2.79,-23.13,;1.25,-23.14,;.49,-24.48,;1.26,-25.8,;.51,-27.13,;-1.04,-27.15,;-2.07,-28.3,;-3.48,-27.67,;-3.32,-26.13,;-1.81,-25.81,;-1.05,-24.48,;-4.81,-28.44,;-6.14,-27.67,;-7.47,-28.44,;-7.47,-29.98,;-6.12,-30.75,;-4.8,-29.98,;-8.8,-30.75,;-8.8,-32.29,;-10.14,-29.99,;5.89,-23.09,;7.42,-23.05,;8.16,-21.71,;8.23,-24.36,;7.49,-25.72,;5.95,-25.76,;5.15,-24.45,;3.61,-24.48,)|
CC(C)c1onc(c1COc1ccc2nc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(21.23,-18.71,;21.6,-20.2,;20.5,-21.28,;23.09,-20.62,;24.32,-19.71,;25.57,-20.61,;25.1,-22.07,;23.56,-22.08,;22.81,-23.42,;21.27,-23.43,;20.5,-24.77,;21.28,-26.09,;20.52,-27.43,;18.97,-27.44,;17.94,-28.58,;16.54,-27.96,;16.7,-26.43,;18.21,-26.11,;18.96,-24.77,;15.21,-28.74,;15.21,-30.27,;13.89,-31.04,;12.54,-30.28,;12.54,-28.73,;13.87,-27.96,;11.21,-27.96,;9.87,-28.74,;11.21,-26.42,;25.91,-23.39,;27.44,-23.35,;28.17,-21.99,;28.24,-24.66,;27.51,-26.02,;25.97,-26.05,;25.16,-24.74,;23.62,-24.77,)|
CC(C)c1onc(c1COc1ccc2[nH]c(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.28,-29.67,;1.65,-31.16,;.55,-32.24,;3.14,-31.58,;4.37,-30.67,;5.62,-31.57,;5.15,-33.03,;3.61,-33.04,;2.86,-34.38,;1.32,-34.39,;.55,-35.73,;1.33,-37.05,;.57,-38.39,;-.97,-38.4,;-2.01,-39.54,;-3.41,-38.92,;-3.25,-37.38,;-1.74,-37.06,;-.99,-35.73,;-4.74,-39.69,;-4.73,-41.23,;-6.06,-42,;-7.41,-41.23,;-7.41,-39.69,;-6.07,-38.92,;-8.74,-38.92,;-10.07,-39.69,;-8.74,-37.38,;5.96,-34.34,;7.49,-34.3,;8.22,-32.95,;8.29,-35.61,;7.56,-36.98,;6.02,-37.01,;5.21,-35.7,;3.67,-35.73,)|
CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.93,-29.27,;21.31,-30.76,;20.2,-31.84,;22.79,-31.19,;24.02,-30.27,;25.28,-31.17,;24.81,-32.64,;23.27,-32.65,;22.51,-33.98,;20.97,-33.99,;20.21,-35.33,;20.98,-36.65,;20.23,-37.99,;18.69,-38,;17.92,-39.34,;16.38,-39.35,;15.6,-38.01,;16.36,-36.67,;17.91,-36.67,;18.67,-35.33,;15.63,-40.69,;16.4,-42.01,;15.65,-43.35,;14.11,-43.37,;13.32,-42.04,;14.09,-40.7,;11.78,-42.05,;11.03,-43.39,;11.01,-40.72,;25.61,-33.95,;27.14,-33.91,;27.88,-32.55,;27.95,-35.22,;27.21,-36.58,;25.67,-36.61,;24.87,-35.3,;23.33,-35.33,)|
CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(2.37,-37.85,;2.74,-39.35,;1.63,-40.42,;4.22,-39.78,;5.46,-38.86,;6.71,-39.76,;6.24,-41.23,;4.7,-41.24,;3.94,-42.58,;2.4,-42.59,;1.64,-43.92,;2.42,-45.24,;1.66,-46.58,;.11,-46.59,;-.64,-47.93,;-2.18,-47.94,;-2.97,-46.6,;-2.2,-45.26,;-.66,-45.26,;.09,-43.92,;-2.95,-49.28,;-4.49,-49.29,;-5.25,-50.63,;-4.47,-51.96,;-2.92,-51.94,;-2.16,-50.6,;-5.22,-53.3,;-4.45,-54.62,;-6.76,-53.32,;7.04,-42.54,;8.58,-42.49,;9.31,-41.15,;9.38,-43.8,;8.65,-45.17,;7.1,-45.2,;6.3,-43.89,;4.76,-43.92,)|
CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.06,-38.67,;25.43,-40.16,;24.33,-41.23,;26.92,-40.58,;28.15,-39.67,;29.4,-40.56,;28.93,-42.03,;27.39,-42.04,;26.64,-43.38,;25.1,-43.39,;24.33,-44.73,;25.11,-46.05,;24.35,-47.39,;22.8,-47.4,;21.77,-48.54,;22.1,-50.05,;20.37,-47.92,;20.53,-46.38,;22.04,-46.06,;22.79,-44.73,;19.04,-48.69,;19.05,-50.23,;17.72,-51,;16.37,-50.23,;16.37,-48.69,;17.71,-47.92,;15.04,-47.92,;13.7,-48.69,;15.04,-46.38,;29.74,-43.34,;31.27,-43.3,;32,-41.95,;32.07,-44.61,;31.34,-45.98,;29.8,-46.01,;28.99,-44.7,;27.45,-44.73,)|
CC(C)c1onc(c1COc1ccc2C(=O)N(CCc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.29,6.81,;.08,5.32,;-1.02,4.25,;1.57,4.9,;2.8,5.81,;4.06,4.91,;3.59,3.44,;2.05,3.43,;1.29,2.09,;-.26,2.09,;-1.02,.75,;-.24,-.57,;-1,-1.91,;-2.54,-1.92,;-3.29,-3.25,;-2.51,-4.58,;-4.83,-3.26,;-5.61,-1.93,;-4.85,-.6,;-3.32,-.59,;-2.56,.74,;-5.6,-4.6,;-4.81,-5.92,;-5.57,-7.26,;-7.12,-7.27,;-7.9,-5.94,;-7.13,-4.6,;-9.44,-5.95,;-10.2,-7.29,;-10.22,-4.62,;4.39,2.13,;5.92,2.17,;6.66,3.53,;6.73,.86,;5.99,-.5,;4.45,-.54,;3.65,.78,;2.11,.74,)|
CC(C)c1onc(c1COc1ccc2CN(C(=O)Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(14.29,6.81,;14.66,5.31,;13.56,4.24,;16.15,4.89,;17.38,5.8,;18.64,4.9,;18.17,3.43,;16.63,3.42,;15.87,2.09,;14.33,2.08,;13.57,.74,;14.34,-.58,;13.59,-1.92,;12.05,-1.92,;11.29,-3.26,;9.75,-3.27,;8.98,-1.94,;7.44,-1.95,;9.74,-.6,;11.26,-.6,;12.03,.74,;8.99,-4.61,;9.77,-5.93,;9.02,-7.27,;7.47,-7.28,;6.69,-5.95,;7.45,-4.61,;5.15,-5.95,;4.39,-7.29,;4.37,-4.62,;18.97,2.13,;20.5,2.17,;21.24,3.52,;21.31,.86,;20.57,-.51,;19.03,-.54,;18.23,.77,;16.69,.74,)|
CC(C)c1onc(c1CNc1nc2ccc(cc2s1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(27.89,5.96,;28.27,4.47,;27.16,3.4,;29.75,4.05,;30.98,4.97,;32.24,4.06,;31.77,2.6,;30.23,2.59,;29.47,1.25,;27.93,1.24,;27.17,-.1,;27.8,-1.5,;26.67,-2.53,;26.67,-4.06,;25.35,-4.84,;24.01,-4.07,;24,-2.53,;25.33,-1.77,;25.64,-.26,;22.67,-4.85,;22.69,-6.39,;21.36,-7.16,;20.01,-6.4,;20.01,-4.86,;21.34,-4.08,;18.67,-4.09,;17.34,-4.86,;18.66,-2.55,;32.57,1.28,;34.1,1.32,;34.84,2.68,;34.91,.01,;34.17,-1.35,;32.63,-1.39,;31.83,-.07,;30.29,-.11,)|
CC(C)c1onc(c1CCc1nc2cc(ccc2o1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.27,-8.39,;.12,-9.89,;-.99,-10.95,;1.6,-10.31,;2.83,-9.39,;4.08,-10.29,;3.62,-11.76,;2.08,-11.77,;1.31,-13.11,;-.23,-13.12,;-.99,-14.46,;-2.52,-14.62,;-2.83,-16.12,;-4.15,-16.89,;-4.15,-18.43,;-2.81,-19.2,;-1.49,-18.42,;-1.49,-16.89,;-.36,-15.85,;-5.48,-19.21,;-5.47,-20.74,;-6.8,-21.52,;-8.15,-20.75,;-8.15,-19.21,;-6.82,-18.43,;-9.49,-18.44,;-10.82,-19.22,;-9.49,-16.9,;4.41,-13.07,;5.95,-13.03,;6.68,-11.68,;6.76,-14.34,;6.01,-15.71,;4.47,-15.74,;3.67,-14.43,;2.13,-14.46,)|
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4c(c3)ccn4Cc5cccc(c5)C(=O)O
CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl |(34.51,-9.97,;34.89,-11.47,;33.78,-12.54,;36.37,-11.89,;37.6,-10.98,;38.86,-11.88,;38.39,-13.35,;36.85,-13.36,;36.09,-14.69,;34.55,-14.7,;33.79,-16.03,;32.25,-16.04,;31.48,-17.37,;32.27,-18.71,;31.81,-20.18,;30.47,-20.93,;29.14,-20.13,;29.17,-18.59,;27.85,-17.81,;26.5,-18.55,;26.48,-20.1,;27.8,-20.89,;25.18,-17.75,;23.84,-18.51,;25.21,-16.21,;33.06,-21.07,;34.3,-20.15,;33.81,-18.69,;34.56,-17.35,;39.19,-14.65,;40.72,-14.61,;41.46,-13.26,;41.53,-15.92,;40.79,-17.28,;39.24,-17.32,;38.45,-16,;36.91,-16.04,)|
CC(C)c1onc(c1COc1ccc2c(Cc3cccc(c3)C(O)=O)c[nH]c2c1)-c1c(Cl)cccc1Cl |(-4.9,-33.54,;-4.52,-35.03,;-5.63,-36.11,;-3.04,-35.46,;-1.81,-34.54,;-.55,-35.45,;-1.02,-36.91,;-2.56,-36.92,;-3.33,-38.25,;-4.87,-38.26,;-5.63,-39.6,;-7.17,-39.6,;-7.93,-40.94,;-7.14,-42.28,;-7.6,-43.75,;-8.93,-44.53,;-8.91,-46.07,;-10.25,-46.84,;-10.23,-48.38,;-8.89,-49.15,;-7.56,-48.35,;-7.58,-46.82,;-6.21,-49.11,;-4.9,-48.32,;-6.19,-50.65,;-6.35,-44.64,;-5.11,-43.72,;-5.6,-42.26,;-4.85,-40.92,;-.23,-38.22,;1.31,-38.18,;2.05,-36.82,;2.12,-39.49,;1.37,-40.85,;-.17,-40.89,;-.96,-39.57,;-2.5,-39.61,)|
CC(C)c1onc(c1COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(13.25,-21.93,;13.64,-23.43,;12.53,-24.49,;15.12,-23.85,;16.35,-22.93,;17.6,-23.83,;17.14,-25.3,;15.6,-25.31,;14.83,-26.65,;13.29,-26.65,;12.53,-27.99,;10.99,-27.99,;10.22,-29.33,;11.01,-30.66,;10.56,-32.13,;11.81,-33.03,;13.04,-32.1,;12.55,-30.64,;13.3,-29.31,;9.1,-32.63,;7.94,-31.61,;10.18,-33.7,;7.75,-33.38,;7.74,-34.91,;6.4,-35.67,;5.07,-34.88,;5.09,-33.34,;6.43,-32.59,;3.76,-32.55,;2.42,-33.31,;3.78,-31.01,;17.93,-26.61,;19.46,-26.57,;20.2,-25.21,;20.27,-27.87,;19.54,-29.23,;18,-29.27,;17.19,-27.95,;15.65,-27.99,)|
CC(C)c1onc(c1COc1ccc2n(ccc2c1)C(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(26.33,-23.17,;26.7,-24.66,;25.6,-25.73,;28.19,-25.08,;29.42,-24.16,;30.67,-25.06,;30.21,-26.53,;28.67,-26.54,;27.91,-27.88,;26.37,-27.89,;25.6,-29.23,;24.06,-29.23,;23.3,-30.56,;24.08,-31.9,;23.62,-33.37,;24.88,-34.26,;26.11,-33.34,;25.62,-31.88,;26.38,-30.54,;22.16,-33.87,;21.01,-32.85,;21.86,-35.38,;23.01,-36.38,;22.71,-37.89,;21.25,-38.39,;20.09,-37.37,;20.4,-35.86,;18.63,-37.86,;18.32,-39.37,;17.48,-36.84,;31.01,-27.84,;32.54,-27.81,;33.27,-26.45,;33.34,-29.12,;32.61,-30.47,;31.07,-30.51,;30.26,-29.2,;28.72,-29.23,)|
CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)cnc2c1)-c1c(Cl)cccc1Cl |(8.87,-34.41,;9.24,-35.91,;8.13,-36.98,;10.72,-36.34,;11.96,-35.42,;13.21,-36.32,;12.74,-37.79,;11.2,-37.8,;10.44,-39.13,;8.9,-39.14,;8.14,-40.48,;6.59,-40.48,;5.84,-41.82,;6.62,-43.15,;6.16,-44.62,;4.83,-45.41,;4.85,-46.95,;6.18,-47.69,;6.2,-49.23,;4.87,-50.02,;3.53,-49.26,;3.51,-47.72,;2.2,-50.04,;.86,-49.28,;2.21,-51.58,;7.42,-45.52,;8.65,-44.6,;8.16,-43.14,;8.92,-41.8,;13.54,-39.09,;15.08,-39.05,;15.81,-37.7,;15.88,-40.36,;15.14,-41.72,;13.6,-41.76,;12.8,-40.45,;11.26,-40.48,)|
CC(C)c1onc(c1COc1ccc2c(Nc3cccc(c3)C(O)=O)cccc2c1)-c1c(Cl)cccc1Cl |(25.75,-35.24,;26.13,-36.73,;25.03,-37.8,;27.61,-37.16,;28.85,-36.24,;30.1,-37.14,;29.64,-38.61,;28.1,-38.62,;27.33,-39.95,;25.79,-39.96,;25.03,-41.3,;23.49,-41.3,;22.72,-42.64,;23.51,-43.97,;22.76,-45.32,;21.22,-45.34,;20.47,-46.69,;21.26,-48,;20.52,-49.35,;18.97,-49.37,;18.18,-48.05,;18.93,-46.7,;16.64,-48.07,;15.89,-49.41,;15.85,-46.74,;23.55,-46.65,;25.1,-46.62,;25.84,-45.27,;25.06,-43.95,;25.8,-42.62,;30.43,-39.91,;31.96,-39.87,;32.7,-38.52,;32.77,-41.18,;32.03,-42.55,;30.49,-42.58,;29.69,-41.27,;28.15,-41.3,)|
CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl |(9.26,.68,;9.63,-.81,;8.53,-1.88,;11.12,-1.23,;12.35,-.32,;13.61,-1.22,;13.14,-2.69,;11.6,-2.69,;10.84,-4.03,;9.29,-4.04,;8.53,-5.38,;9.17,-6.78,;8.03,-7.82,;8.03,-9.35,;6.71,-10.12,;5.37,-9.36,;5.37,-7.82,;4.03,-7.05,;2.7,-7.82,;2.71,-9.35,;1.39,-10.13,;.04,-9.36,;.04,-7.82,;1.37,-7.05,;-1.3,-7.05,;-2.63,-7.82,;-1.3,-5.51,;6.69,-7.05,;7,-5.54,;13.94,-4,;15.47,-3.96,;16.21,-2.6,;16.28,-5.27,;15.54,-6.63,;14,-6.66,;13.2,-5.35,;11.66,-5.39,)|
CC(C)c1onc(c1COc1ccc2[nH]cc(Cc3cccc(c3)C(O)=O)c2c1)-c1c(Cl)cccc1Cl |(3.73,-24.81,;2.27,-24.34,;1.12,-25.37,;1.95,-22.83,;2.98,-21.68,;2.21,-20.35,;.7,-20.67,;.54,-22.2,;-.79,-22.59,;-.79,-24.51,;-2.13,-23.74,;-2.13,-22.2,;-3.46,-21.43,;-4.79,-22.2,;-6.26,-21.73,;-7.16,-22.97,;-6.26,-24.22,;-6.73,-25.68,;-5.7,-26.83,;-4.2,-26.51,;-3.17,-27.65,;-3.64,-29.12,;-5.15,-29.44,;-6.18,-28.29,;-5.63,-30.9,;-4.6,-32.05,;-7.13,-31.22,;-4.79,-23.74,;-3.46,-24.51,;-.44,-19.64,;-1.91,-20.12,;-2.23,-21.62,;-3.05,-19.09,;-2.73,-17.58,;-1.27,-17.1,;-.12,-18.13,;1.34,-17.66,)|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCCCC1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(cc1)C#N |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(c1)C(F)(F)F |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccs1 |t:6|
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(F)c1
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCCCC1
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(cc1)C#N
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(c1)C(F)(F)F
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(Cl)cc1
CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCOCC1
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN(C)C)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCN(C)CC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN(C)C)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCN(C)CC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN(C)C)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCOCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCN(C)CC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN(C)C)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCOCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCN(C)CC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccc(F)cc21)C(=O)c1ccc(F)c(F)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCOCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCN(C)CC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCCC2)c1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(CN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(CCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CCN2CCOCC2)cc1 |t:6|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)|
OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1 |(11.81,-36.69,;13.14,-37.46,;13.14,-39,;14.48,-36.69,;15.81,-37.46,;17.15,-36.69,;17.14,-35.14,;18.47,-34.37,;19.81,-35.13,;21.14,-34.36,;21.13,-32.83,;22.45,-32.05,;23.8,-32.81,;25.14,-32.04,;26.47,-32.8,;27.8,-32.04,;29.06,-32.94,;30.3,-32.03,;29.82,-30.56,;28.27,-30.56,;27.35,-29.33,;27.19,-27.8,;25.95,-28.71,;29.06,-34.47,;30.39,-35.23,;31.72,-34.45,;30.41,-36.77,;29.07,-37.55,;27.73,-36.79,;27.73,-35.25,;26.39,-34.48,;23.81,-34.35,;22.48,-35.13,;22.48,-36.67,;21.14,-37.44,;23.81,-37.44,;22.46,-38.2,;15.81,-34.38,;14.48,-35.15,)|
OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1 |(-9.62,-34.92,;-8.29,-34.14,;-8.29,-32.6,;-6.96,-34.91,;-6.96,-36.46,;-5.62,-37.23,;-4.29,-36.46,;-4.29,-34.91,;-2.96,-34.13,;-1.62,-34.9,;-.29,-34.12,;-.31,-32.59,;1.02,-31.81,;2.36,-32.58,;3.7,-31.8,;5.04,-32.57,;6.36,-31.8,;7.62,-32.71,;8.87,-31.79,;8.39,-30.33,;6.83,-30.33,;5.92,-29.1,;5.75,-27.56,;4.51,-28.47,;7.63,-34.24,;8.96,-35,;10.29,-34.22,;8.97,-36.54,;7.64,-37.32,;6.3,-36.55,;6.29,-35.02,;4.96,-34.25,;2.37,-34.12,;1.04,-34.89,;1.04,-36.43,;-.29,-37.21,;2.38,-37.2,;1.03,-37.97,;-5.63,-34.14,)|
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(28.16,6.8,;27.54,5.39,;26.01,5.23,;28.45,4.15,;30,4.15,;30.48,2.69,;29.23,1.77,;27.98,2.68,;26.65,1.9,;25.31,2.66,;23.98,1.88,;22.63,2.65,;21.31,1.87,;21.32,.34,;19.99,-.43,;20,-1.97,;18.65,.33,;18.65,1.87,;17.32,-.44,;15.99,.32,;14.66,-.45,;14.66,-2,;15.99,-2.77,;17.33,-1.99,;13.32,-2.76,;11.99,-1.99,;13.32,-4.3,;22.65,-.43,;23.98,.34,;22.66,-1.97,;21.32,-2.74,;23.99,-2.74,;22.64,-3.51,;29.24,.24,;30.57,-.52,;31.9,.26,;30.58,-2.06,;29.25,-2.84,;27.91,-2.07,;27.9,-.54,;26.57,.23,)|
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl |(29.05,-4.4,;28.42,-5.81,;26.89,-5.97,;29.33,-7.05,;30.89,-7.05,;31.37,-8.51,;30.12,-9.43,;28.86,-8.52,;27.53,-9.29,;26.2,-8.53,;24.87,-9.31,;23.52,-8.54,;22.2,-9.32,;22.21,-10.85,;20.88,-11.63,;20.88,-13.17,;19.54,-10.86,;19.53,-9.32,;18.21,-11.64,;16.87,-10.87,;15.55,-11.64,;15.54,-13.19,;16.88,-13.96,;18.21,-13.19,;14.21,-13.96,;12.88,-13.19,;14.21,-15.5,;23.54,-11.62,;23.54,-13.16,;24.87,-10.85,;30.13,-10.96,;31.46,-11.72,;32.79,-10.94,;31.47,-13.26,;30.13,-14.04,;28.8,-13.27,;28.79,-11.74,;27.46,-10.97,)|
CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.31,-3.35,;5.69,-4.76,;4.16,-4.92,;6.6,-6,;8.15,-6,;8.63,-7.46,;7.38,-8.38,;6.13,-7.47,;4.8,-8.25,;3.46,-7.49,;2.13,-8.27,;.79,-7.5,;-.54,-8.28,;-.53,-9.81,;-1.86,-10.58,;-3.19,-9.82,;-3.2,-8.28,;-4.53,-10.59,;-5.86,-9.83,;-7.19,-10.6,;-7.19,-12.15,;-5.86,-12.92,;-4.52,-12.14,;-8.53,-12.91,;-9.86,-12.14,;-8.53,-14.45,;.81,-10.58,;2.14,-9.81,;.81,-12.12,;-.52,-12.89,;2.14,-12.89,;.79,-13.66,;7.39,-9.91,;8.72,-10.67,;10.05,-9.89,;8.74,-12.21,;7.4,-12.99,;6.06,-12.22,;6.06,-10.69,;4.72,-9.92,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.88,-16.84,;8.26,-18.25,;6.73,-18.41,;9.17,-19.49,;10.72,-19.49,;11.2,-20.95,;9.95,-21.87,;8.7,-20.96,;7.37,-21.73,;6.04,-20.96,;4.7,-21.74,;3.35,-20.97,;2.03,-21.75,;2.04,-23.28,;.71,-24.06,;.71,-25.6,;-.63,-23.29,;-1.96,-24.07,;-1.95,-25.62,;-3.29,-26.39,;-4.62,-25.62,;-5.96,-26.39,;-7.29,-25.61,;-8.63,-26.38,;-9.96,-25.61,;-4.62,-24.07,;-3.29,-23.3,;3.37,-24.05,;4.7,-23.28,;3.38,-25.59,;2.04,-26.36,;4.71,-26.36,;3.36,-27.13,;9.96,-23.4,;11.29,-24.16,;12.62,-23.38,;11.3,-25.69,;9.97,-26.48,;8.63,-25.71,;8.63,-24.17,;7.29,-23.41,)|
CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)|
CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(27.95,6.97,;27.33,5.56,;25.8,5.4,;28.24,4.32,;29.79,4.32,;30.27,2.86,;29.02,1.94,;27.77,2.85,;26.44,2.08,;25.11,2.85,;23.77,2.07,;22.42,2.84,;21.1,2.06,;21.11,.53,;19.78,-.25,;19.79,-1.79,;18.44,.52,;17.11,-.26,;17.12,-1.81,;15.78,-2.58,;14.45,-1.81,;14.45,-.26,;15.78,.51,;13.11,-2.58,;11.78,-1.81,;13.11,-4.12,;22.44,-.24,;22.45,-1.78,;23.77,.53,;29.03,.41,;30.36,-.35,;31.69,.43,;30.37,-1.89,;29.04,-2.67,;27.7,-1.9,;27.7,-.37,;26.36,.4,)|
CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)|
CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.62,-28.01,;6,-29.41,;4.47,-29.58,;6.91,-30.66,;8.46,-30.65,;8.95,-32.12,;7.7,-33.04,;6.44,-32.13,;5.12,-32.9,;3.78,-32.13,;2.44,-32.91,;1.1,-32.14,;-.23,-32.92,;-.22,-34.45,;-1.55,-35.22,;-1.54,-36.76,;-2.88,-34.46,;-4.21,-35.23,;-5.55,-34.47,;-6.88,-35.24,;-6.88,-36.79,;-5.55,-37.56,;-4.21,-36.78,;-5.55,-39.1,;-4.21,-39.87,;-6.88,-39.87,;-8.21,-39.1,;-9.54,-39.87,;-9,-37.75,;-7.46,-37.75,;1.12,-35.22,;2.45,-34.45,;1.12,-36.76,;-.21,-37.53,;2.45,-37.53,;1.1,-38.3,;7.7,-34.57,;9.04,-35.33,;10.36,-34.55,;9.05,-36.86,;7.71,-37.65,;6.38,-36.88,;6.37,-35.34,;5.03,-34.58,)|
CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(4.21,-15.15,;3.59,-16.56,;2.06,-16.72,;4.5,-17.8,;6.05,-17.8,;6.54,-19.26,;5.29,-20.18,;4.03,-19.27,;2.7,-20.04,;1.37,-19.27,;.03,-20.05,;-1.31,-19.28,;-2.64,-20.06,;-2.63,-21.59,;-3.96,-22.37,;-3.95,-23.91,;-5.29,-21.6,;-5.3,-20.06,;-6.63,-22.38,;-7.96,-21.61,;-9.29,-22.38,;-9.29,-23.93,;-7.96,-24.7,;-6.62,-23.93,;-7.96,-26.24,;-6.62,-27.01,;-9.29,-27.01,;-1.29,-22.36,;.04,-21.59,;-1.29,-23.9,;-1.29,-25.44,;.04,-24.67,;-2.62,-24.68,;5.29,-21.71,;6.63,-22.47,;7.95,-21.69,;6.64,-24.01,;5.3,-24.79,;3.96,-24.02,;3.96,-22.49,;2.62,-21.72,)|
CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-3.51,-2.57,;-2.18,-1.8,;-2.18,-.26,;-3.52,.51,;-4.85,-.27,;-4.85,-1.82,;-6.18,-2.59,;-7.52,-1.82,;-7.52,-.27,;-6.19,.5,;-8.85,-2.59,;-10.19,-1.81,;-8.85,-4.13,;-.85,.52,;-.87,2.05,;.46,2.83,;1.8,2.06,;3.14,2.84,;4.48,2.07,;5.8,2.84,;6.27,4.31,;7.83,4.31,;8.31,2.85,;7.06,1.93,;7.07,.4,;8.4,-.36,;9.73,.42,;8.41,-1.89,;7.08,-2.68,;5.74,-1.91,;5.73,-.37,;4.4,.39,;5.36,5.55,;5.19,7.08,;3.95,6.17,;1.81,.52,;.48,-.25,;.48,-1.79,;-.85,-2.56,;1.82,-2.56,;.47,-3.33,)|
CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl |(-5.54,-39.13,;-4.92,-37.72,;-3.39,-37.56,;-5.83,-36.48,;-7.37,-36.48,;-7.84,-35.02,;-6.6,-34.12,;-5.35,-35.01,;-4.01,-34.26,;-2.69,-35.05,;-1.34,-34.31,;-1.33,-32.77,;.01,-32.02,;.03,-30.48,;1.34,-32.81,;2.68,-32.07,;4,-32.85,;3.98,-34.39,;2.63,-35.14,;1.32,-34.35,;-.03,-35.1,;-6.6,-32.58,;-7.93,-31.81,;-9.26,-32.58,;-7.93,-30.26,;-6.6,-29.49,;-5.26,-30.26,;-5.26,-31.81,;-3.92,-32.57,)|
CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl |(22.17,-16.64,;21.14,-17.78,;19.63,-17.46,;21.61,-19.25,;23.08,-19.73,;23.08,-21.27,;21.61,-21.74,;20.7,-20.5,;19.16,-20.5,;18.39,-21.83,;16.85,-21.83,;16.08,-23.16,;14.53,-23.16,;13.76,-24.49,;13.77,-21.82,;14.54,-20.49,;16.07,-20.49,;12.23,-21.82,;11.46,-20.48,;11.45,-23.15,;21.58,-23.28,;22.89,-24.07,;24.24,-23.32,;22.86,-25.61,;21.51,-26.35,;20.19,-25.55,;20.23,-24.01,;18.91,-23.21,)|
CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.02,-13.21,;19.02,-11.67,;17.68,-10.91,;16.35,-11.68,;16.36,-13.23,;15.02,-14.01,;13.68,-13.23,;13.69,-11.69,;15.02,-10.92,;12.35,-14,;11.02,-13.23,;12.35,-15.54,;20.35,-10.9,;20.34,-9.37,;21.66,-8.59,;23.01,-9.35,;24.34,-8.58,;25.68,-9.35,;27.01,-8.58,;27.48,-7.11,;29.03,-7.1,;29.51,-8.57,;28.26,-9.48,;28.27,-11.02,;29.6,-11.78,;30.93,-11,;29.61,-13.31,;28.28,-14.1,;26.94,-13.33,;26.93,-11.79,;25.6,-11.03,;26.56,-5.87,;26.39,-4.34,;25.15,-5.25,;23.01,-10.9,;21.68,-11.67,;21.68,-13.21,;20.35,-13.98,;23.02,-13.98,;21.67,-14.75,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)|
CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.98,-26.3,;-2.99,-24.76,;-4.32,-24,;-4.33,-22.46,;-5.65,-24.77,;-5.65,-26.32,;-6.98,-27.1,;-8.32,-26.32,;-8.32,-24.78,;-6.99,-24.01,;-9.65,-27.09,;-10.99,-26.32,;-9.65,-28.63,;-1.65,-23.99,;-1.67,-22.46,;-.34,-21.68,;1,-22.44,;2.34,-21.67,;3.68,-22.44,;5,-21.67,;5.47,-20.2,;7.02,-20.19,;7.51,-21.66,;6.26,-22.57,;6.26,-24.11,;7.6,-24.87,;8.93,-24.09,;7.61,-26.4,;6.27,-27.19,;4.94,-26.42,;4.93,-24.88,;3.6,-24.12,;4.56,-18.96,;4.39,-17.43,;3.15,-18.34,;1.01,-23.99,;-.32,-24.76,;-.32,-26.3,;-1.65,-27.07,;1.02,-27.07,;-.33,-27.84,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
CC(C)c1onc(c1COc1ccc(NCc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(5.95,-39.6,;5.33,-41.01,;3.8,-41.18,;6.24,-42.25,;7.79,-42.25,;8.27,-43.72,;7.02,-44.63,;5.77,-43.73,;4.44,-44.49,;3.1,-43.73,;1.77,-44.5,;.42,-43.74,;-.9,-44.52,;-.89,-46.05,;-2.22,-46.82,;-3.56,-46.06,;-4.89,-46.83,;-4.89,-48.38,;-6.22,-49.15,;-7.56,-48.38,;-7.55,-46.84,;-6.23,-46.07,;-8.89,-49.15,;-10.22,-48.38,;-8.89,-50.69,;.44,-46.82,;1.77,-46.04,;.44,-48.36,;-.89,-49.13,;1.78,-49.13,;.43,-49.89,;7.03,-46.16,;8.36,-46.92,;9.69,-46.14,;8.37,-48.46,;7.04,-49.24,;5.7,-48.48,;5.69,-46.94,;4.36,-46.17,)|
CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.94,6.43,;8.32,5.03,;6.79,4.86,;9.23,3.78,;10.78,3.79,;11.26,2.32,;10.02,1.4,;8.76,2.31,;7.43,1.54,;6.1,2.31,;4.76,1.53,;3.41,2.3,;2.09,1.52,;2.1,-.01,;.77,-.78,;.78,-2.32,;-.57,-.02,;-1.9,-.79,;-3.23,-.03,;-4.56,-.8,;-4.56,-2.35,;-5.9,-3.11,;-7.23,-2.34,;-8.56,-3.11,;-9.9,-2.34,;-8.57,-4.65,;-3.23,-3.12,;-1.89,-2.34,;3.44,-.78,;4.77,-.01,;3.44,-2.32,;2.1,-3.09,;4.77,-3.09,;3.42,-3.86,;10.02,-.13,;11.35,-.89,;12.68,-.11,;11.37,-2.42,;10.03,-3.21,;8.69,-2.44,;8.69,-.9,;7.35,-.14,)|
CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.89,-47.58,;19.89,-46.04,;18.55,-45.27,;17.22,-46.05,;17.23,-47.6,;15.89,-48.37,;14.56,-47.6,;14.56,-46.05,;15.89,-45.28,;13.22,-48.37,;11.89,-47.59,;13.22,-49.91,;21.22,-45.26,;21.21,-43.73,;22.53,-42.95,;23.88,-43.72,;25.22,-42.94,;26.55,-43.71,;27.88,-42.94,;28.35,-41.47,;29.9,-41.47,;30.38,-42.93,;29.13,-43.85,;29.14,-45.38,;30.47,-46.14,;31.8,-45.36,;30.48,-47.67,;29.15,-48.46,;27.81,-47.69,;27.81,-46.15,;26.47,-45.39,;27.43,-40.23,;27.27,-38.7,;26.02,-39.61,;23.88,-45.26,;22.55,-46.03,;22.56,-47.57,;21.22,-48.34,;23.89,-48.34,;22.54,-49.11,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)|
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)|
CC(C)c1onc(c1COc1cc(cc(C)n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(15.46,-28.38,;14.84,-29.79,;13.31,-29.95,;15.75,-31.03,;17.3,-31.03,;17.78,-32.49,;16.53,-33.41,;15.28,-32.5,;13.95,-33.28,;12.61,-32.51,;11.28,-33.29,;9.94,-32.53,;8.62,-33.3,;8.61,-34.84,;9.95,-35.61,;9.95,-37.15,;11.28,-34.84,;7.28,-32.53,;7.28,-30.99,;5.95,-33.3,;5.94,-31.76,;16.54,-34.94,;17.87,-35.7,;19.2,-34.92,;17.88,-37.24,;16.55,-38.02,;15.21,-37.25,;15.21,-35.72,;13.87,-34.95,)|
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:8.7,16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(42.66,-42.33,;41.12,-42.3,;40.37,-40.95,;41.88,-40.96,;40.33,-43.62,;38.79,-43.6,;38.04,-42.25,;38,-44.92,;36.46,-44.89,;35.57,-43.63,;34.1,-44.08,;34.08,-45.63,;35.53,-46.12,;32.73,-46.39,;32.72,-47.93,;31.41,-45.61,;30.07,-46.36,;30.06,-47.89,;29.04,-49.17,;27.64,-48.6,;27.63,-47.02,;28.67,-45.78,;27.32,-46.26,;27.33,-47.75,;26.14,-49.02,;28.66,-48.24,;25.99,-46.97,;24.65,-47.74,;26,-45.43,)|
O=C(NC1CCCCC1)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccncc1
CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CCCCC1
O=C(NC1CCCCC1)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C#N
c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1Cl |r|
OCc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl
CN(C)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
COc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CCOCC1
Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CC1
FC1(F)CCC(CC1)NC(=O)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)Nc1ccccc1
Clc1ccc(cc1)-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)c1ccncc1
CC(=O)C1CCN(CC1)C(C(=O)NC1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCOCC1)C(=O)NC1CCCCC1
CCC(C)CC(C(=O)NC1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
OC(=O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
OC(=O)CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
Cc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
OC(=O)c1ccccc1NC(=O)C(C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1
OC(=O)c1sc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1C(F)(F)F
OC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cn1
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)ccc23)-c2ccc(Cl)cc2)c(F)c1 |r|
O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:10.18,4.7,wD:1.0,(28.92,-17.2,;30.26,-16.44,;31.59,-17.22,;32.93,-16.47,;32.94,-14.93,;31.61,-14.15,;30.28,-14.9,;34.28,-14.17,;35.61,-14.95,;35.59,-16.49,;36.94,-14.19,;38.27,-14.97,;38.25,-16.51,;39.57,-17.29,;40.92,-16.53,;40.93,-14.99,;39.6,-14.2,;36.96,-12.65,;37.86,-11.39,;36.94,-10.14,;35.47,-10.63,;34.13,-9.86,;32.8,-10.63,;31.47,-9.86,;32.8,-12.18,;31.47,-12.95,;34.14,-12.95,;35.48,-12.18,;39.4,-11.37,;40.17,-12.7,;41.71,-12.7,;42.48,-11.36,;44.02,-11.35,;41.69,-10.02,;40.15,-10.04,)|
OC(=O)CCc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
Cc1nc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)sc1C(O)=O
OC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(Cl)n1 |r,wU:17.18,27.29,wD:30.36,(29.58,-17.54,;28.81,-16.2,;27.27,-16.19,;26.5,-17.52,;24.95,-17.52,;24.2,-16.19,;22.19,-16.19,;21.71,-14.72,;20.17,-14.72,;19.11,-13.57,;17.63,-13.9,;16.59,-12.76,;17.16,-15.36,;15.65,-15.68,;18.19,-16.51,;19.69,-16.19,;20.95,-17.09,;20.95,-18.65,;22.28,-19.42,;22.28,-20.96,;23.61,-21.73,;24.95,-20.96,;24.95,-19.42,;23.62,-18.65,;19.61,-19.42,;19.61,-20.96,;18.28,-18.65,;16.94,-19.42,;16.94,-20.97,;15.62,-21.73,;14.31,-20.98,;14.31,-19.44,;15.61,-18.66,;12.95,-21.76,;11.63,-21,;12.95,-23.32,;24.96,-14.85,;24.18,-13.5,;26.51,-14.85,)|
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:12.20,6.9,wD:3.2,(-9.7,-28.54,;-8.37,-29.32,;-8.39,-30.86,;-7.03,-28.57,;-5.7,-29.35,;-4.35,-28.59,;-4.35,-27.05,;-5.67,-26.27,;-7.01,-27.03,;-3.01,-26.29,;-1.68,-27.07,;-1.69,-28.61,;-.34,-26.31,;.99,-27.09,;.96,-28.63,;2.29,-29.41,;3.63,-28.66,;3.64,-27.12,;2.31,-26.33,;-.33,-24.77,;.57,-23.51,;-.35,-22.26,;-1.82,-22.75,;-3.15,-21.99,;-4.48,-22.76,;-5.82,-21.99,;-4.48,-24.3,;-5.82,-25.07,;-3.15,-25.07,;-1.81,-24.3,;2.11,-23.5,;2.89,-24.83,;4.42,-24.82,;5.19,-23.48,;6.73,-23.47,;4.4,-22.15,;2.87,-22.16,)|
OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:13.21,4.3,wD:7.10,(7.34,-4.5,;8.68,-3.75,;8.7,-2.21,;10.01,-4.53,;11.35,-3.78,;11.37,-2.23,;12.7,-1.48,;14.03,-2.27,;14.02,-3.8,;12.68,-4.56,;15.37,-1.51,;16.7,-2.29,;16.69,-3.83,;18.04,-1.53,;19.36,-2.31,;19.34,-3.85,;20.66,-4.63,;22.01,-3.88,;22.02,-2.34,;20.69,-1.55,;18.05,.01,;18.95,1.27,;18.03,2.52,;16.56,2.03,;15.23,2.79,;13.9,2.02,;12.56,2.79,;13.89,.48,;12.56,-.29,;15.23,-.29,;16.57,.48,;20.49,1.28,;21.27,-.05,;22.8,-.04,;23.57,1.3,;25.11,1.31,;22.78,2.63,;21.25,2.62,)|
COc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
OC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:14.22,5.4,wD:8.11,(22.55,-43.58,;23.89,-44.35,;23.89,-45.89,;25.22,-43.58,;26.55,-44.35,;27.89,-43.58,;27.89,-42.04,;29.22,-41.27,;30.55,-42.03,;30.56,-43.57,;29.22,-44.35,;31.89,-41.27,;33.22,-42.05,;33.21,-43.59,;34.56,-41.29,;35.88,-42.07,;35.86,-43.61,;37.18,-44.39,;38.53,-43.64,;38.54,-42.1,;37.21,-41.31,;34.57,-39.75,;35.47,-38.49,;34.55,-37.24,;33.08,-37.73,;31.75,-36.97,;30.42,-37.74,;29.08,-36.97,;30.41,-39.28,;29.08,-40.05,;31.75,-40.05,;33.09,-39.28,;37.01,-38.48,;37.77,-37.14,;39.3,-37.13,;40.09,-38.46,;41.63,-38.45,;39.32,-39.8,;37.79,-39.81,)|
OC(=O)c1cccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c1
OC(=O)Cc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:12.20,3.2,wD:6.9,(31.87,-43.46,;33.2,-44.23,;33.19,-45.77,;34.54,-43.47,;34.55,-41.93,;35.89,-41.17,;37.22,-41.96,;37.21,-43.5,;35.86,-44.25,;38.55,-41.2,;39.88,-41.97,;39.87,-43.51,;41.22,-41.21,;42.55,-41.99,;42.53,-43.53,;43.85,-44.31,;45.19,-43.56,;45.21,-42.02,;43.88,-41.23,;41.23,-39.68,;42.14,-38.41,;41.22,-37.17,;39.75,-37.65,;38.41,-36.89,;37.08,-37.66,;35.75,-36.89,;37.08,-39.2,;35.75,-39.97,;38.41,-39.98,;39.76,-39.2,;43.67,-38.4,;44.43,-37.07,;45.97,-37.05,;46.75,-38.38,;48.29,-38.37,;45.99,-39.72,;44.45,-39.73,)|
OC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)CC1 |r,wU:11.18,6.6,wD:3.2,(-6.64,-8.02,;-5.3,-7.27,;-3.97,-8.05,;-5.29,-5.72,;-3.94,-4.96,;-3.93,-3.42,;-5.25,-2.65,;-5.24,-1.11,;-3.9,-.35,;-2.58,-1.13,;-2.59,-2.67,;-1.24,-.37,;.09,-1.15,;.07,-2.68,;1.39,-3.46,;2.73,-2.71,;2.75,-1.17,;1.42,-.38,;-1.23,1.17,;-.32,2.43,;-1.24,3.68,;-2.71,3.2,;-4.05,3.96,;-5.38,3.19,;-6.71,3.96,;-5.38,1.64,;-6.71,.88,;-4.04,.87,;-2.7,1.64,;1.22,2.45,;1.99,1.12,;3.53,1.13,;4.29,2.46,;5.83,2.48,;3.51,3.8,;1.97,3.78,;-6.6,-3.4,;-6.61,-4.93,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.05,8.98,;39.74,7.47,;38.28,6.98,;40.89,6.44,;42.4,6.77,;43.17,5.44,;42.15,4.29,;40.74,4.91,;39.41,4.14,;38.07,4.9,;36.74,4.13,;36.75,2.58,;35.41,1.81,;34.08,2.58,;34.08,4.12,;35.41,4.89,;32.74,1.81,;32.75,.27,;31.42,-.5,;30.08,.27,;28.75,-.5,;27.42,.27,;27.41,1.81,;28.75,2.58,;30.08,1.81,;31.41,2.58,;26.09,-.51,;24.75,.26,;26.09,-2.05,;42.47,2.79,;43.93,2.32,;45.07,3.35,;44.26,.82,;43.11,-.22,;41.64,.25,;41.32,1.76,;39.86,2.23,)|
CCCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(25.81,-9.4,;24.48,-10.17,;24.47,-11.71,;23.14,-12.48,;23.14,-14.02,;21.81,-14.79,;21.81,-16.34,;23.14,-17.1,;24.47,-16.33,;25.81,-17.1,;27.14,-16.33,;27.14,-14.8,;25.81,-14.02,;24.47,-14.79,;28.47,-14.03,;29.8,-14.8,;31.14,-14.03,;31.14,-12.48,;32.47,-11.7,;33.8,-12.47,;35.13,-11.69,;36.54,-12.32,;37.56,-11.17,;36.79,-9.84,;35.28,-10.16,;34.13,-9.14,;34.45,-7.63,;32.67,-9.62,;36.86,-13.82,;38.32,-14.29,;39.46,-13.25,;38.65,-15.79,;37.5,-16.83,;36.04,-16.35,;35.71,-14.85,;34.25,-14.38,;29.8,-11.71,;28.47,-12.48,;20.48,-17.11,;19.14,-16.35,;20.49,-18.65,)|
CC(C)COc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(1.95,-22.02,;3.28,-22.79,;4.61,-22.02,;3.28,-24.33,;4.61,-25.1,;4.61,-26.64,;3.28,-27.41,;3.28,-28.95,;4.62,-29.72,;5.94,-28.95,;7.29,-29.72,;8.61,-28.95,;8.61,-27.41,;7.28,-26.64,;5.95,-27.41,;9.94,-26.64,;11.28,-27.41,;12.61,-26.64,;12.61,-25.09,;13.94,-24.32,;15.28,-25.08,;16.61,-24.31,;18.01,-24.93,;19.04,-23.79,;18.26,-22.45,;16.76,-22.78,;15.61,-21.76,;15.92,-20.25,;14.15,-22.24,;18.33,-26.43,;19.79,-26.9,;20.93,-25.87,;20.12,-28.4,;18.98,-29.45,;17.51,-28.97,;17.19,-27.47,;15.72,-26.99,;11.27,-24.33,;9.95,-25.1,;1.95,-29.73,;.62,-28.96,;1.96,-31.27,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(ccnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.59,-1.11,;1.28,-2.62,;-.18,-3.11,;2.43,-3.65,;3.94,-3.32,;4.71,-4.65,;3.69,-5.8,;2.28,-5.17,;.95,-5.95,;-.39,-5.18,;-1.72,-5.96,;-1.71,-7.51,;-3.05,-8.28,;-4.38,-7.51,;-4.38,-5.97,;-3.05,-5.19,;-5.72,-8.28,;-5.71,-9.81,;-7.04,-10.59,;-8.38,-9.81,;-9.71,-10.58,;-11.04,-9.82,;-11.05,-8.27,;-9.71,-7.5,;-8.38,-8.27,;-7.05,-7.51,;-9.7,-12.12,;-11.04,-12.9,;-8.37,-12.89,;4.01,-7.3,;5.47,-7.77,;6.61,-6.73,;5.79,-9.27,;4.65,-10.31,;3.18,-9.84,;2.86,-8.33,;1.4,-7.86,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(cnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.5,-2.99,;20.18,-4.5,;18.72,-4.98,;21.33,-5.52,;22.84,-5.2,;23.61,-6.53,;22.59,-7.68,;21.18,-7.05,;19.85,-7.82,;18.51,-7.06,;17.18,-7.83,;17.19,-9.38,;15.85,-10.16,;14.52,-9.38,;14.52,-7.84,;15.85,-7.07,;13.18,-10.15,;13.19,-11.69,;11.86,-12.46,;10.52,-11.69,;9.19,-12.46,;7.86,-11.7,;7.85,-10.15,;9.19,-9.38,;10.52,-10.15,;11.85,-9.38,;6.53,-12.47,;5.19,-11.71,;6.53,-14.01,;22.91,-9.18,;24.37,-9.65,;25.51,-8.61,;24.7,-11.15,;23.55,-12.19,;22.08,-11.71,;21.76,-10.21,;20.3,-9.73,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ncc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(42.49,-2.63,;42.18,-4.14,;40.71,-4.62,;43.33,-5.16,;44.83,-4.84,;45.61,-6.17,;44.58,-7.32,;43.18,-6.69,;41.85,-7.47,;40.51,-6.7,;39.18,-7.48,;39.18,-9.03,;37.85,-9.8,;36.51,-9.03,;36.51,-7.48,;37.84,-6.71,;35.18,-9.8,;35.18,-11.33,;33.85,-12.1,;32.51,-11.33,;31.19,-12.1,;29.85,-11.34,;29.85,-9.79,;31.18,-9.02,;32.51,-9.79,;33.85,-9.02,;28.52,-12.11,;27.19,-11.35,;28.53,-13.65,;44.9,-8.82,;46.36,-9.29,;47.5,-8.25,;46.69,-10.79,;45.54,-11.83,;44.08,-11.35,;43.76,-9.85,;42.29,-9.37,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(nccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.48,-11.95,;1.16,-13.46,;-.3,-13.94,;2.31,-14.48,;3.82,-14.16,;4.59,-15.49,;3.57,-16.64,;2.16,-16.01,;.83,-16.78,;-.5,-16.02,;-1.83,-16.79,;-1.83,-18.34,;-3.17,-19.12,;-4.5,-18.35,;-4.5,-16.8,;-3.17,-16.03,;-5.84,-19.11,;-5.83,-20.65,;-7.16,-21.42,;-8.5,-20.65,;-9.83,-21.42,;-11.16,-20.66,;-11.16,-19.11,;-9.83,-18.34,;-8.5,-19.11,;-7.17,-18.34,;-9.82,-22.96,;-11.15,-23.73,;-8.49,-23.73,;3.89,-18.14,;5.35,-18.61,;6.49,-17.57,;5.68,-20.11,;4.53,-21.15,;3.07,-20.67,;2.74,-19.17,;1.28,-18.69,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.71,-13.37,;20.4,-14.88,;18.94,-15.36,;21.55,-15.9,;23.05,-15.58,;23.83,-16.91,;22.8,-18.06,;21.4,-17.43,;20.07,-18.21,;18.73,-17.44,;17.4,-18.22,;17.41,-19.77,;16.07,-20.54,;14.73,-19.77,;14.74,-18.22,;16.07,-17.45,;13.4,-20.54,;13.4,-22.07,;12.08,-22.84,;10.73,-22.07,;9.41,-22.84,;8.08,-22.08,;8.07,-20.53,;9.41,-19.76,;9.41,-18.22,;10.74,-20.53,;12.07,-19.76,;6.75,-22.85,;5.41,-22.09,;6.75,-24.39,;23.12,-19.56,;24.58,-20.03,;25.72,-18.99,;24.91,-21.53,;23.77,-22.57,;22.3,-22.09,;21.98,-20.59,;20.51,-20.12,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(43.61,-12.66,;43.3,-14.17,;41.83,-14.66,;44.45,-15.2,;45.95,-14.87,;46.73,-16.2,;45.7,-17.35,;44.3,-16.72,;42.97,-17.5,;41.63,-16.73,;40.3,-17.51,;40.3,-19.06,;38.97,-19.83,;37.63,-19.06,;37.63,-17.52,;38.96,-16.74,;36.3,-19.83,;36.3,-21.36,;34.97,-22.14,;33.63,-21.36,;32.31,-22.13,;30.97,-21.37,;30.97,-19.82,;32.3,-19.05,;33.63,-19.82,;34.97,-19.06,;29.64,-22.15,;28.31,-21.38,;29.65,-23.69,;46.02,-18.85,;47.48,-19.32,;48.62,-18.28,;47.81,-20.82,;46.66,-21.86,;45.2,-21.39,;44.88,-19.88,;43.41,-19.41,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.19,-22.75,;-.5,-24.26,;-1.96,-24.74,;.65,-25.28,;2.16,-24.96,;2.93,-26.29,;1.9,-27.44,;.5,-26.81,;-.83,-27.59,;-2.17,-26.82,;-3.5,-27.6,;-3.49,-29.15,;-4.83,-29.92,;-6.16,-29.15,;-6.16,-27.6,;-4.83,-26.83,;-7.5,-29.92,;-7.49,-31.45,;-8.82,-32.22,;-10.16,-31.45,;-11.5,-32.22,;-12.83,-31.46,;-12.84,-29.91,;-11.5,-29.14,;-10.16,-29.91,;-8.83,-29.14,;-14.16,-32.23,;-15.5,-31.47,;-14.16,-33.77,;2.23,-28.94,;3.69,-29.41,;4.83,-28.37,;4.01,-30.91,;2.87,-31.95,;1.4,-31.47,;1.08,-29.97,;-.39,-29.5,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(C(O)=O)c(C)cc2c1)-c1c(Cl)cccc1Cl |(20.98,-22.11,;20.67,-23.61,;19.21,-24.1,;21.82,-24.64,;23.33,-24.31,;24.1,-25.64,;23.08,-26.79,;21.67,-26.17,;20.34,-26.94,;19,-26.18,;17.67,-26.95,;17.68,-28.5,;16.34,-29.27,;15.01,-28.5,;15.01,-26.96,;16.34,-26.19,;13.67,-29.27,;13.68,-30.81,;12.35,-31.58,;11.01,-30.81,;9.68,-31.58,;8.35,-30.81,;7.02,-31.59,;5.68,-30.82,;7.02,-33.13,;8.34,-29.27,;7.01,-28.5,;9.68,-28.5,;11.01,-29.27,;12.34,-28.5,;23.4,-28.29,;24.86,-28.76,;26,-27.73,;25.18,-30.26,;24.04,-31.3,;22.57,-30.83,;22.25,-29.32,;20.79,-28.85,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1cc2ccc(nc2cc1F)C(O)=O)-c1c(Cl)cccc1Cl |(43.05,-20.99,;42.74,-22.49,;41.27,-22.98,;43.89,-23.52,;45.39,-23.19,;46.17,-24.52,;45.14,-25.67,;43.74,-25.05,;42.41,-25.82,;41.07,-25.06,;39.74,-25.83,;39.74,-27.38,;38.41,-28.15,;37.07,-27.38,;37.07,-25.84,;38.4,-25.07,;35.74,-28.15,;34.41,-27.38,;33.07,-28.15,;31.74,-27.38,;30.41,-28.15,;30.41,-29.69,;31.75,-30.46,;33.07,-29.69,;34.41,-30.46,;35.74,-29.69,;37.08,-30.45,;29.08,-30.47,;27.75,-29.7,;29.09,-32.01,;45.46,-27.17,;46.92,-27.64,;48.06,-26.61,;47.25,-29.14,;46.1,-30.18,;44.64,-29.71,;44.32,-28.2,;42.85,-27.73,)|
CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-2.92,-34.15,;-3.23,-35.66,;-4.69,-36.15,;-2.08,-36.69,;-.57,-36.36,;.2,-37.69,;-.83,-38.84,;-2.23,-38.21,;-3.56,-38.99,;-4.9,-38.22,;-6.23,-39,;-7.56,-38.23,;-8.89,-39.01,;-8.89,-40.55,;-7.56,-41.32,;-7.56,-42.86,;-6.22,-40.55,;-10.23,-41.32,;-10.22,-42.85,;-11.56,-43.63,;-12.9,-42.85,;-14.23,-43.62,;-15.56,-42.86,;-15.57,-41.31,;-14.23,-40.54,;-12.9,-41.31,;-11.57,-40.55,;-16.89,-43.64,;-18.23,-42.87,;-16.89,-45.18,;-.5,-40.34,;.96,-40.81,;2.1,-39.77,;1.28,-42.31,;.14,-43.35,;-1.33,-42.88,;-1.65,-41.37,;-3.12,-40.9,)|
CC(C)c1onc(c1COc1ccc(cc1C)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(19.02,-32.09,;18.7,-33.59,;17.24,-34.08,;19.85,-34.62,;21.36,-34.29,;22.13,-35.62,;21.11,-36.77,;19.7,-36.14,;18.37,-36.92,;17.04,-36.15,;15.7,-36.93,;15.71,-38.48,;14.37,-39.25,;13.04,-38.48,;13.04,-36.94,;14.37,-36.17,;14.36,-34.63,;11.7,-39.25,;11.71,-40.78,;10.38,-41.56,;9.04,-40.79,;7.71,-41.55,;6.38,-40.79,;6.38,-39.25,;7.71,-38.48,;9.04,-39.24,;10.37,-38.48,;5.05,-41.57,;3.71,-40.8,;5.06,-43.11,;21.43,-38.27,;22.89,-38.74,;24.03,-37.71,;23.22,-40.24,;22.07,-41.28,;20.6,-40.81,;20.28,-39.3,;18.82,-38.83,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(O)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.69,-31.32,;40.38,-32.83,;38.92,-33.31,;41.53,-33.86,;43.04,-33.53,;43.81,-34.86,;42.78,-36.01,;41.38,-35.38,;40.05,-36.16,;38.71,-35.39,;37.38,-36.17,;37.39,-37.72,;36.05,-38.49,;34.72,-37.72,;34.72,-36.17,;36.05,-35.4,;33.38,-38.49,;33.39,-40.02,;32.06,-40.79,;30.72,-40.02,;29.39,-40.79,;28.06,-40.03,;28.05,-38.48,;29.39,-37.71,;29.39,-36.17,;30.72,-38.48,;32.05,-37.71,;26.73,-40.81,;25.39,-40.04,;26.73,-42.35,;43.11,-37.51,;44.57,-37.98,;45.71,-36.94,;44.89,-39.48,;43.75,-40.52,;42.28,-40.05,;41.96,-38.54,;40.49,-38.07,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.96,-43.48,;5.64,-44.99,;4.18,-45.47,;6.79,-46.01,;8.3,-45.69,;9.07,-47.02,;8.05,-48.17,;6.64,-47.54,;5.31,-48.31,;3.98,-47.55,;2.65,-48.32,;2.65,-49.87,;1.31,-50.65,;-.02,-49.88,;-.02,-48.33,;1.31,-47.56,;-1.35,-50.64,;-1.35,-52.18,;-2.68,-52.95,;-4.02,-52.18,;-5.35,-52.95,;-6.68,-52.19,;-6.68,-50.64,;-5.35,-49.87,;-5.35,-48.33,;-4.02,-50.64,;-2.68,-49.87,;-8.01,-52.96,;-9.35,-52.2,;-8,-54.5,;8.37,-49.67,;9.83,-50.14,;10.97,-49.1,;10.16,-51.64,;9.01,-52.68,;7.55,-52.2,;7.22,-50.7,;5.76,-50.22,)|
CCc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(19.87,-48.44,;18.54,-49.21,;18.54,-50.75,;17.2,-51.52,;17.21,-53.07,;18.54,-53.83,;19.87,-53.06,;21.21,-53.83,;22.54,-53.06,;22.53,-51.52,;21.2,-50.75,;19.87,-51.52,;23.87,-50.75,;25.2,-51.53,;26.54,-50.75,;26.53,-49.2,;27.86,-48.43,;29.2,-49.19,;30.53,-48.42,;31.93,-49.04,;32.96,-47.9,;32.19,-46.57,;30.68,-46.89,;29.53,-45.87,;29.84,-44.36,;28.07,-46.35,;32.26,-50.55,;33.72,-51.01,;34.86,-49.98,;34.04,-52.52,;32.9,-53.56,;31.43,-53.08,;31.11,-51.58,;29.64,-51.1,;25.2,-48.44,;23.87,-49.21,;15.88,-53.84,;14.54,-53.08,;15.88,-55.38,)|
COc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(-2.95,1.03,;-4.28,.26,;-4.28,-1.28,;-5.62,-2.05,;-5.61,-3.6,;-4.28,-4.36,;-2.95,-3.59,;-1.61,-4.36,;-.28,-3.59,;-.29,-2.06,;-1.62,-1.28,;-2.95,-2.05,;1.05,-1.29,;2.38,-2.06,;3.72,-1.29,;3.71,.26,;5.04,1.04,;6.38,.27,;7.71,1.05,;9.11,.42,;10.14,1.57,;9.37,2.9,;7.86,2.58,;6.71,3.6,;7.02,5.11,;5.25,3.12,;9.44,-1.08,;10.9,-1.55,;12.04,-.51,;11.22,-3.05,;10.08,-4.09,;8.61,-3.61,;8.29,-2.11,;6.82,-1.64,;2.38,1.03,;1.05,.26,;-6.94,-4.37,;-8.28,-3.61,;-6.94,-5.91,)|
CCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(18.6,3.49,;18.6,1.95,;19.93,1.18,;19.93,-.36,;18.59,-1.13,;18.6,-2.68,;19.93,-3.44,;21.26,-2.67,;22.6,-3.45,;23.93,-2.67,;23.92,-1.14,;22.59,-.37,;21.26,-1.13,;25.26,-.37,;26.59,-1.14,;27.93,-.37,;27.92,1.18,;29.25,1.96,;30.59,1.19,;31.92,1.97,;33.33,1.34,;34.35,2.49,;33.58,3.82,;32.07,3.49,;30.92,4.52,;31.23,6.03,;29.46,4.03,;33.65,-.16,;35.11,-.63,;36.25,.41,;35.44,-2.13,;34.29,-3.17,;32.82,-2.7,;32.5,-1.19,;31.04,-.72,;26.59,1.95,;25.26,1.17,;17.27,-3.46,;15.93,-2.69,;17.27,-5,)|
CC(C)Oc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(-5.2,-12.59,;-5.2,-14.13,;-6.53,-14.9,;-3.86,-14.9,;-3.86,-16.44,;-5.2,-17.21,;-5.19,-18.76,;-3.86,-19.52,;-2.53,-18.75,;-1.19,-19.52,;.14,-18.75,;.13,-17.22,;-1.2,-16.44,;-2.53,-17.21,;1.47,-16.45,;2.8,-17.22,;4.14,-16.45,;4.13,-14.9,;5.46,-14.12,;6.8,-14.89,;8.13,-14.11,;9.53,-14.74,;10.56,-13.59,;9.79,-12.26,;8.28,-12.58,;7.13,-11.56,;7.44,-10.05,;5.67,-12.04,;9.86,-16.24,;11.32,-16.71,;12.46,-15.67,;11.64,-18.21,;10.5,-19.25,;9.03,-18.77,;8.71,-17.27,;7.24,-16.79,;2.8,-14.13,;1.47,-14.9,;-6.52,-19.53,;-7.86,-18.77,;-6.52,-21.07,)|
C[C@H](CCNC(=O)OC\C=C\c1ccccc1)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)OC\C=C\c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(O)=O)-c1c(Cl)cccc1Cl |(1.84,-3.97,;1.53,-5.48,;.06,-5.96,;2.68,-6.5,;4.18,-6.18,;4.96,-7.51,;3.93,-8.65,;2.52,-8.04,;1.19,-8.81,;-.15,-8.05,;-1.48,-8.82,;-1.47,-10.37,;-2.81,-11.14,;-4.14,-10.37,;-4.14,-8.83,;-2.81,-8.06,;-5.48,-11.14,;-5.63,-12.68,;-7.14,-13,;-7.91,-14.32,;-9.44,-14.33,;-10.22,-12.99,;-9.44,-11.66,;-7.9,-11.66,;-6.88,-10.52,;-7.14,-15.66,;-7.91,-16.99,;-5.6,-15.66,;4.26,-10.16,;5.72,-10.62,;6.85,-9.58,;6.05,-12.12,;4.91,-13.16,;3.44,-12.69,;3.11,-11.19,;1.65,-10.72,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2C(CCCc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.61,-4.33,;20.29,-5.83,;18.83,-6.32,;21.44,-6.86,;22.95,-6.53,;23.72,-7.86,;22.7,-9.01,;21.29,-8.39,;19.96,-9.17,;18.62,-8.4,;17.29,-9.18,;17.3,-10.73,;15.96,-11.5,;14.63,-10.73,;14.63,-9.19,;15.96,-8.41,;13.29,-11.5,;13.3,-13.03,;11.97,-13.81,;10.63,-13.03,;9.3,-13.8,;7.96,-13.03,;7.96,-11.49,;9.29,-10.72,;10.63,-11.49,;11.96,-10.73,;9.31,-15.35,;7.97,-16.12,;10.64,-16.11,;23.02,-10.52,;24.48,-10.98,;25.62,-9.94,;24.82,-12.48,;23.67,-13.52,;22.2,-13.05,;21.88,-11.55,;20.41,-11.07,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(csc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(41.54,-2.23,;41.22,-3.74,;39.76,-4.22,;42.37,-4.77,;43.88,-4.44,;44.65,-5.77,;43.63,-6.92,;42.22,-6.3,;40.89,-7.08,;39.55,-6.31,;38.22,-7.09,;38.23,-8.64,;36.89,-9.41,;35.56,-8.64,;35.56,-7.09,;36.89,-6.32,;34.22,-9.41,;34.23,-10.94,;32.9,-11.71,;31.56,-10.94,;30.09,-11.42,;29.19,-10.18,;30.09,-8.93,;31.55,-9.4,;32.89,-8.63,;29.62,-12.89,;28.11,-13.21,;30.65,-14.03,;43.95,-8.43,;45.41,-8.89,;46.55,-7.85,;45.75,-10.39,;44.6,-11.43,;43.13,-10.96,;42.81,-9.46,;41.34,-8.98,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(3.55,-15.82,;3.24,-17.33,;1.78,-17.81,;4.39,-18.35,;5.89,-18.03,;6.67,-19.36,;5.64,-20.51,;4.23,-19.89,;2.9,-20.66,;1.57,-19.9,;.23,-20.67,;.24,-22.22,;-1.1,-23,;-2.43,-22.23,;-2.43,-20.68,;-1.1,-19.91,;-3.77,-22.99,;-3.76,-24.53,;-5.09,-25.3,;-6.43,-24.53,;-7.89,-25.01,;-8.8,-23.77,;-7.9,-22.52,;-6.43,-22.99,;-5.1,-22.22,;-8.37,-26.48,;-9.87,-26.8,;-7.34,-27.62,;5.97,-22.01,;7.43,-22.47,;8.56,-21.43,;7.76,-23.97,;6.62,-25.02,;5.15,-24.55,;4.82,-23.04,;3.36,-22.57,)|
CC(C)c1onc(c1COc1ccc(Cn2ccc3ccc(cc23)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(15.55,-27.25,;15.53,-28.79,;14.18,-29.54,;16.85,-29.58,;18.31,-29.08,;19.23,-30.3,;18.35,-31.57,;16.88,-31.12,;15.55,-31.9,;14.21,-31.13,;12.88,-31.91,;11.55,-31.14,;10.22,-31.91,;10.22,-33.46,;8.88,-34.23,;7.64,-33.32,;7.64,-31.78,;6.18,-31.3,;5.28,-32.54,;3.75,-32.7,;3.12,-34.09,;4.02,-35.34,;5.54,-35.18,;6.17,-33.79,;3.39,-36.75,;4.3,-38,;1.86,-36.91,;11.55,-34.23,;12.89,-33.46,;19.09,-32.92,;20.63,-32.94,;21.42,-31.62,;21.37,-34.28,;20.57,-35.61,;19.03,-35.58,;18.29,-34.23,;16.75,-34.19,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.08,-27.37,;4.77,-28.88,;3.31,-29.36,;5.92,-29.9,;7.42,-29.58,;8.2,-30.91,;7.17,-32.06,;5.77,-31.44,;4.43,-32.21,;3.1,-31.45,;1.77,-32.22,;1.77,-33.77,;.44,-34.55,;-.9,-33.78,;-.9,-32.23,;.43,-31.46,;-2.23,-34.54,;-2.27,-36.08,;-3.63,-36.81,;-4.94,-36.01,;-6.4,-36.45,;-7.28,-35.19,;-6.35,-33.97,;-4.9,-34.48,;-3.54,-33.74,;-8.82,-35.16,;-9.56,-33.81,;-9.62,-36.48,;7.5,-33.56,;8.96,-34.02,;10.1,-32.98,;9.29,-35.52,;8.15,-36.57,;6.68,-36.1,;6.35,-34.59,;4.89,-34.12,)|
CC(C)c1onc(c1COc1ccc(Sc2cccc3sc(cc23)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(46.86,-16.34,;46.54,-17.84,;45.08,-18.32,;47.69,-18.87,;49.2,-18.54,;49.97,-19.87,;48.95,-21.02,;47.54,-20.4,;46.21,-21.18,;44.87,-20.41,;43.54,-21.19,;43.55,-22.74,;42.21,-23.51,;40.88,-22.74,;39.54,-23.51,;38.21,-22.74,;38.22,-21.2,;36.89,-20.43,;35.55,-21.2,;35.55,-22.74,;34.42,-23.78,;35.05,-25.17,;36.57,-25.01,;36.89,-23.51,;34.28,-26.52,;32.74,-26.52,;35.06,-27.85,;40.88,-21.19,;42.21,-20.42,;49.27,-22.53,;50.73,-22.99,;51.87,-21.95,;51.07,-24.49,;49.92,-25.53,;48.45,-25.06,;48.13,-23.56,;46.66,-23.08,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2oc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.35,-27.64,;25.04,-29.14,;23.58,-29.63,;26.19,-30.17,;27.69,-29.84,;28.47,-31.17,;27.44,-32.32,;26.03,-31.7,;24.7,-32.48,;23.37,-31.71,;22.04,-32.49,;22.04,-34.04,;20.7,-34.81,;19.37,-34.04,;19.37,-32.5,;20.7,-31.72,;18.04,-34.81,;18,-36.34,;16.64,-37.07,;15.33,-36.28,;13.86,-36.72,;12.99,-35.46,;13.92,-34.24,;15.37,-34.74,;16.73,-34,;11.44,-35.43,;10.7,-34.08,;10.65,-36.74,;27.77,-33.83,;29.23,-34.29,;30.36,-33.25,;29.56,-35.79,;28.42,-36.83,;26.95,-36.36,;26.62,-34.86,;25.16,-34.38,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(4.85,-36.74,;4.54,-38.24,;3.07,-38.73,;5.69,-39.27,;7.19,-38.94,;7.97,-40.27,;6.94,-41.42,;5.53,-40.8,;4.2,-41.58,;2.86,-40.81,;1.53,-41.59,;1.54,-43.14,;.2,-43.91,;-1.13,-43.14,;-1.13,-41.6,;.2,-40.82,;-2.46,-43.91,;-2.5,-45.44,;-3.86,-46.17,;-5.17,-45.38,;-6.64,-45.82,;-7.52,-44.56,;-6.59,-43.33,;-5.13,-43.84,;-3.78,-43.1,;-9.06,-44.52,;-9.8,-43.17,;-9.87,-45.83,;7.27,-42.93,;8.73,-43.39,;9.86,-42.35,;9.06,-44.89,;7.92,-45.93,;6.45,-45.46,;6.12,-43.96,;4.66,-43.48,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(47.02,-27.11,;46.71,-28.61,;45.25,-29.1,;47.86,-29.64,;49.36,-29.31,;50.14,-30.65,;49.11,-31.79,;47.7,-31.17,;46.37,-31.95,;45.04,-31.18,;43.7,-31.96,;43.71,-33.51,;42.37,-34.28,;41.04,-33.51,;41.04,-31.97,;42.37,-31.2,;39.71,-34.28,;39.67,-35.82,;38.31,-36.54,;37,-35.75,;35.53,-36.19,;34.66,-34.93,;35.59,-33.71,;37.04,-34.21,;38.4,-33.47,;33.11,-34.9,;32.37,-33.55,;32.31,-36.21,;49.44,-33.3,;50.9,-33.76,;52.03,-32.72,;51.23,-35.26,;50.09,-36.3,;48.62,-35.83,;48.29,-34.33,;46.83,-33.86,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2n1)C(O)=O)-c1c(Cl)cccc1Cl |(25.45,-37.97,;25.13,-39.48,;23.67,-39.96,;26.28,-40.51,;27.79,-40.18,;28.56,-41.51,;27.54,-42.66,;26.13,-42.04,;24.8,-42.82,;23.46,-42.05,;22.13,-42.83,;22.13,-44.38,;20.8,-45.15,;19.46,-44.38,;19.47,-42.83,;20.79,-42.06,;18.13,-45.14,;18.09,-46.68,;16.73,-47.41,;15.43,-46.61,;13.96,-47.06,;13.08,-45.79,;14.01,-44.57,;15.46,-45.08,;16.82,-44.34,;11.54,-45.76,;10.8,-44.41,;10.74,-47.08,;27.86,-44.16,;29.32,-44.62,;30.46,-43.58,;29.65,-46.12,;28.51,-47.17,;27.04,-46.7,;26.72,-45.19,;25.25,-44.72,)|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2CC(Cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(49.11,-38.14,;48.79,-39.65,;47.33,-40.13,;49.94,-40.68,;51.45,-40.35,;52.22,-41.68,;51.2,-42.83,;49.79,-42.21,;48.46,-42.99,;47.12,-42.22,;45.79,-43,;45.79,-44.55,;44.46,-45.32,;43.12,-44.55,;43.13,-43,;44.45,-42.23,;41.79,-45.31,;41.75,-46.85,;40.39,-47.58,;39.09,-46.79,;37.62,-47.23,;36.74,-45.97,;37.67,-44.74,;39.12,-45.25,;40.48,-44.51,;35.2,-45.94,;34.46,-44.58,;34.4,-47.25,;51.52,-44.34,;52.98,-44.8,;54.12,-43.76,;53.31,-46.3,;52.17,-47.34,;50.7,-46.87,;50.38,-45.37,;48.91,-44.89,)|
COc1ccc(cc1)N1CCN(C[C@H](O)COc2cc3CCCCc3c3CCCCc23)CC1 |r|
CCCCc1ccc(cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 |r|
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](CCC)C2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](Cc2ccccc2)C2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](C)C2C[C@H](O)CC[C@]12C
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(22.08,-4.61,;23.59,-4.22,;23.9,-2.69,;24.74,-5.24,;26.24,-4.9,;27.03,-6.24,;25.98,-7.39,;24.6,-6.77,;23.27,-7.54,;21.93,-6.78,;20.6,-7.55,;19.24,-6.78,;17.92,-7.57,;17.93,-9.1,;16.61,-9.88,;15.27,-9.12,;13.94,-9.88,;13.94,-11.45,;12.6,-12.21,;11.26,-11.45,;11.26,-9.88,;12.6,-9.12,;9.93,-9.12,;8.6,-9.9,;9.93,-7.58,;19.27,-9.88,;19.27,-11.42,;20.6,-9.1,;26.32,-8.89,;27.79,-9.36,;28.92,-8.32,;28.11,-10.86,;26.97,-11.89,;25.5,-11.44,;25.18,-9.91,;23.71,-9.43,)|
CC(C)c1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.9,-2.69,;23.59,-4.22,;22.09,-4.61,;24.74,-5.24,;26.24,-4.9,;27.03,-6.24,;25.99,-7.39,;24.6,-6.77,;23.27,-7.54,;21.93,-6.78,;20.61,-7.55,;20.61,-9.11,;19.28,-9.88,;19.28,-11.42,;17.94,-9.11,;16.62,-9.88,;15.27,-9.12,;13.94,-9.88,;13.94,-11.45,;12.6,-12.22,;11.26,-11.45,;11.26,-9.88,;12.6,-9.12,;9.94,-9.12,;8.61,-9.91,;9.94,-7.58,;17.93,-7.57,;16.59,-6.82,;19.25,-6.78,;26.33,-8.89,;27.8,-9.36,;28.93,-8.32,;28.12,-10.86,;26.98,-11.9,;25.51,-11.44,;25.19,-9.92,;23.72,-9.44,)|
CCc1onc(c1COc1cc(C)c(\C=C\c2ccc(cc2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.16,-1.42,;22.84,-2.92,;24.01,-3.94,;25.51,-3.62,;26.29,-4.95,;25.27,-6.1,;23.86,-5.47,;22.52,-6.24,;21.2,-5.47,;19.87,-6.26,;18.52,-5.5,;17.19,-6.27,;15.85,-5.5,;17.21,-7.8,;15.88,-8.57,;14.54,-7.8,;13.22,-8.6,;13.22,-10.13,;11.88,-10.9,;10.55,-10.13,;10.55,-8.6,;11.88,-7.82,;9.37,-10.87,;9.49,-12.42,;7.98,-10.22,;18.53,-8.57,;18.53,-10.12,;19.87,-7.8,;25.59,-7.6,;24.44,-8.62,;22.97,-8.15,;24.76,-10.13,;26.23,-10.61,;27.38,-9.56,;27.06,-8.06,;28.2,-7.03,)|
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Br |(22.12,-4.65,;23.61,-4.25,;23.91,-2.74,;24.77,-5.27,;26.28,-4.94,;27.05,-6.27,;26.02,-7.42,;24.62,-6.8,;23.29,-7.57,;21.96,-6.81,;20.63,-7.58,;19.28,-6.81,;17.95,-7.6,;17.98,-9.12,;16.63,-9.89,;15.3,-9.14,;13.97,-9.92,;13.97,-11.46,;12.64,-12.23,;11.3,-11.46,;11.3,-9.92,;12.64,-9.15,;9.98,-9.15,;8.64,-9.92,;9.98,-7.61,;19.29,-9.89,;19.29,-11.43,;20.63,-9.12,;26.35,-8.93,;25.2,-9.96,;23.74,-9.48,;25.52,-11.46,;26.99,-11.93,;28.12,-10.89,;27.79,-9.38,;28.95,-8.35,)|
CCc1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1ccccc1OC(F)(F)F
CCc1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(F)cccc1C(F)(F)F |(24,-2.69,;23.69,-4.22,;24.84,-5.24,;26.34,-4.9,;27.13,-6.24,;26.08,-7.39,;24.7,-6.77,;23.37,-7.54,;22.03,-6.78,;20.71,-7.55,;19.34,-6.78,;18.03,-7.57,;18.03,-9.11,;16.71,-9.88,;15.37,-9.12,;14.04,-9.88,;14.04,-11.45,;12.7,-12.22,;11.38,-11.45,;11.38,-9.91,;12.7,-9.12,;10.04,-9.12,;8.7,-9.91,;10.04,-7.58,;19.37,-9.88,;19.37,-11.42,;20.71,-9.11,;26.4,-8.89,;27.9,-9.36,;29.02,-8.32,;28.21,-10.86,;27.08,-11.9,;25.61,-11.42,;25.29,-9.92,;23.82,-9.44,;22.86,-8.37,;22.67,-10.48,;24.65,-8.16,)|
CC(C)c1onc(c1COc1cc(C)c(\C=C\c2ccc(cc2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(21.37,-3.32,;22.85,-2.92,;23.17,-1.42,;24.02,-3.94,;25.52,-3.62,;26.3,-4.95,;25.28,-6.1,;23.87,-5.47,;22.55,-6.24,;21.21,-5.47,;19.88,-6.26,;18.54,-5.51,;17.2,-6.27,;15.86,-5.51,;17.22,-7.81,;15.89,-8.57,;14.55,-7.81,;13.23,-8.6,;11.88,-7.83,;10.55,-8.6,;10.55,-10.14,;11.88,-10.9,;13.23,-10.14,;9.37,-10.87,;9.5,-12.43,;7.99,-10.22,;18.54,-8.57,;18.54,-10.13,;19.88,-7.81,;25.6,-7.6,;24.45,-8.63,;23,-8.16,;24.77,-10.14,;26.24,-10.62,;27.39,-9.56,;27.07,-8.06,;28.21,-7.03,)|
CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
CCC[C@H]1[C@@H](O)C2C3CCC([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)CC12
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](Cc4ccccc4)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCCOS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CC(C)C(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCCS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@H](O)CC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCN)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
CCOC(=O)NCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC#C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(1.9,3.75,;3.37,4.25,;3.67,5.76,;4.51,3.22,;6.01,3.55,;6.8,2.22,;5.77,1.07,;4.37,1.7,;3.04,.93,;1.71,1.68,;.38,.9,;.38,-.63,;-.95,-1.41,;-2.28,-.63,;-3.61,-1.41,;-4.95,-.64,;-6.28,-1.42,;-6.28,-2.97,;-7.63,-3.74,;-8.94,-2.97,;-8.94,-1.42,;-7.63,-.66,;-10.27,-.66,;-11.61,-1.42,;-10.27,.89,;-2.29,.9,;-.97,1.68,;6.1,-.4,;7.56,-.9,;8.69,.16,;7.88,-2.39,;6.75,-3.43,;5.26,-2.95,;4.96,-1.46,;3.49,-.97,)|
C[C@@H](C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CCO)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](C[C@@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC=C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](CCn1oc(=O)[nH]c1=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H](C[C@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
C[C@H]([C@@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
CO[C@H]1[C@@H](O)C2C3CCC([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)CC12
OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1
CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(O)=O)c2)cc1
OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C1CCCCC1
COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2C=CC(C)(C)Oc12 |c:22|
CCC(CC)(c1ccc(OCC(O)=O)c(C)c1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)c(C)c1 |(20.42,5.66,;20.42,4.12,;21.76,3.35,;23.09,4.12,;23.1,5.66,;23.09,2.58,;24.41,3.36,;25.75,2.61,;25.76,1.06,;27.1,.3,;28.43,1.07,;29.77,.31,;31.1,1.09,;29.77,-1.23,;24.43,.28,;24.43,-1.26,;23.09,1.05,;20.43,2.57,;19.09,3.34,;17.76,2.57,;17.76,1.02,;16.43,.25,;15.09,1.02,;13.76,.26,;13.58,-1.3,;12.08,-1.61,;11.32,-.27,;12.36,.87,;12.04,2.38,;10.58,2.85,;9.44,1.81,;10.26,4.35,;11.41,5.39,;12.87,4.91,;13.19,3.4,;14.65,2.92,;14.72,-2.34,;14.39,-3.84,;16.19,-1.87,;19.09,.25,;19.09,-1.29,;20.43,1.02,)|
[H][C@@]12CCC([C@H](C)CCNC(=O)OCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OC\C=C\c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCN)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OC3CCCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccc(OC)cc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OC3C4CC5CC(C4)CC3C5)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C |wU:23.27,40.47,29.34,wD:36.41,31.36,5.5,27.31,1.0,TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(25.34,-16.63,;25.35,-15.09,;26.82,-15.58,;27.74,-14.34,;26.84,-13.07,;27.33,-11.61,;26.32,-10.46,;28.84,-11.31,;29.86,-12.46,;31.37,-12.16,;32.39,-13.31,;31.9,-14.77,;33.9,-13,;34.92,-14.16,;34.55,-15.6,;33.07,-16.53,;34.62,-16.51,;35.85,-17.4,;37.15,-16.43,;35.71,-16.41,;37.55,-14.95,;36.34,-14.04,;35.02,-14.97,;25.36,-13.54,;25.36,-11.99,;24.02,-12.76,;22.68,-13.53,;22.68,-15.07,;22.67,-16.6,;24.02,-15.85,;23.99,-14.3,;24,-17.39,;25.33,-18.17,;22.66,-18.15,;21.34,-17.38,;20,-18.13,;18.68,-17.36,;17.34,-18.12,;18.69,-15.82,;20.03,-15.05,;21.35,-15.84,;21.35,-14.3,)|
[H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccc(cc3)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
[H][C@@]12CCC([C@H](C)CCNC(=O)OCc3cccs3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
CC1(C)CCC[C@@]2(C)C1CC[C@@]1(CO)C3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)CC21 |t:17|
CO[C@@H]1OCC2=CCC3[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4C[C@@H](O)[C@]3(C)[C@@H]12 |t:5|
CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](OC(C)=O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21 |c:34|
CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21 |c:31|
CC(=O)O[C@@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C |t:24|
C[C@H](CCCS(O)(=O)=O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C |r|
C[C@H](CCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
CC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |w:12.12|
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
Fc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
FC(F)(F)c1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
FC(F)(F)c1ccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)cc1
Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3[N+]([O-])=O)c2)c1
Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C(=O)c4ccc(F)cc4)C3=O)c2)c1
Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C(=O)c4ccncc4)C3=O)c2)c1
O=C(N1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccccc1
O=C(N1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccco1
O=[#6]1-[#7](-[#7](-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1)-c1ccccc1)-c1ccccc1
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccccc2)cc1)\[#6](=O)-[#8]-[#6]-[#6]
[#8-]-[#7+](=O)-c1cccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)c1
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](O)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
[#6]-[#6](=O)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:19|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]2([#6])[#8]-c3c(-[#6])cc(-[#8])cc3-[#6]=[#6]2)-[#8]-[#6]-1=O |r,c:27,t:6|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]2([#6])[#8]-c3c(-[#6])cc(-[#8])cc3-[#6]=[#6]2)-[#8]-[#6]-1=O |r,c:27,t:6|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-2=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-2=O)-[#8]-[#6]-1=O |r,w:17.17,t:6,19,23|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |r,c:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |r,c:27|
C[C@H](CCC([O-])=O)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2C[C@H](O)CC[C@]12C |r|
CC(C)c1onc(c1COc1ccc(N(C(=O)c2cccc(c2)C(O)=O)c2cccc3ccccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(8.68,-38.12,;8.37,-39.62,;6.91,-40.11,;9.53,-40.65,;11.03,-40.32,;11.81,-41.65,;10.78,-42.8,;9.38,-42.18,;8.05,-42.96,;6.71,-42.2,;5.38,-42.97,;5.39,-44.51,;4.06,-45.29,;2.72,-44.52,;1.39,-45.29,;.06,-44.53,;.05,-42.99,;-1.27,-45.3,;-1.27,-46.85,;-2.61,-47.62,;-3.94,-46.85,;-3.94,-45.31,;-2.61,-44.54,;-5.28,-44.54,;-5.28,-43,;-6.61,-45.31,;1.4,-46.83,;.07,-47.6,;.08,-49.14,;1.41,-49.91,;2.74,-49.12,;4.07,-49.87,;5.39,-49.1,;5.38,-47.57,;4.05,-46.82,;2.74,-47.59,;2.71,-42.99,;1.37,-42.23,;4.04,-42.21,;11.11,-44.3,;12.57,-44.76,;13.71,-43.72,;12.91,-46.26,;11.76,-47.3,;10.3,-46.83,;9.97,-45.33,;8.5,-44.86,)|
CC(C)c1onc(c1COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5.05,-.93,;-6.23,.05,;-7.68,-.48,;-5.97,1.57,;-7.04,2.68,;-6.32,4.04,;-4.8,3.77,;-4.59,2.25,;-3.23,1.53,;-3.17,-.01,;-1.81,-.73,;-.5,.09,;.86,-.63,;.91,-2.17,;2.28,-2.89,;2.33,-4.43,;3.69,-5.15,;5,-4.33,;6.36,-5.05,;6.42,-6.59,;5.11,-7.41,;3.75,-6.69,;3.62,-2.14,;4.94,-2.93,;3.64,-.6,;2.32,.19,;2.35,1.73,;3.69,2.48,;5.01,1.69,;4.99,.15,;6.36,2.44,;6.38,3.98,;7.68,1.65,;-.39,-2.99,;-.33,-4.53,;-1.75,-2.27,;-3.7,4.84,;-2.22,4.42,;-1.84,2.93,;-1.11,5.5,;-1.49,6.99,;-2.97,7.41,;-4.08,6.34,;-5.56,6.76,)|
CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(19.95,-42.12,;19.64,-43.63,;18.18,-44.11,;20.8,-44.65,;22.3,-44.32,;23.08,-45.65,;22.05,-46.8,;20.65,-46.18,;19.32,-46.96,;17.98,-46.2,;16.65,-46.98,;15.31,-46.21,;13.98,-46.99,;13.99,-48.52,;12.66,-49.29,;12.67,-50.83,;11.33,-48.53,;11.32,-46.99,;9.98,-46.22,;9.98,-44.68,;8.65,-43.92,;7.31,-44.69,;7.32,-46.24,;8.66,-47,;10,-49.3,;10,-50.85,;8.66,-51.63,;7.33,-50.86,;7.33,-49.31,;8.66,-48.54,;6,-51.62,;4.66,-50.85,;5.99,-53.16,;15.33,-49.29,;15.33,-50.83,;16.66,-48.52,;22.04,-48.33,;23.37,-49.11,;24.7,-48.34,;23.36,-50.64,;22.02,-51.41,;20.69,-50.63,;20.7,-49.09,;19.37,-48.31,)|
CC(C)c1onc(c1COc1ccc(C(=O)N(c2cccc(c2)C(O)=O)c2cccc3ccccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(43.76,-25.58,;43.45,-27.08,;41.99,-27.57,;44.6,-28.11,;46.11,-27.78,;46.88,-29.11,;45.86,-30.26,;44.46,-29.64,;43.13,-30.42,;41.79,-29.65,;40.46,-30.43,;39.11,-29.67,;37.79,-30.45,;37.8,-31.98,;36.47,-32.75,;36.48,-34.29,;35.13,-31.99,;33.8,-32.76,;33.81,-34.31,;32.47,-35.08,;31.14,-34.31,;31.14,-32.77,;32.47,-32,;29.81,-32,;28.48,-32.77,;29.81,-30.46,;35.13,-30.45,;36.46,-29.68,;36.46,-28.14,;35.12,-27.37,;33.79,-28.16,;32.46,-27.41,;31.14,-28.18,;31.16,-29.72,;32.49,-30.47,;33.8,-29.69,;39.14,-32.75,;39.14,-34.29,;40.47,-31.97,;45.85,-31.79,;47.18,-32.56,;48.51,-31.8,;47.17,-34.1,;45.83,-34.87,;44.5,-34.09,;44.51,-32.55,;43.18,-31.77,)|
CCCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(38.41,-16.09,;37.08,-16.86,;37.09,-18.4,;35.76,-19.18,;35.76,-20.72,;37.1,-21.48,;37.11,-23.02,;38.43,-20.71,;38.42,-19.18,;39.74,-18.4,;41.09,-19.16,;42.42,-18.38,;43.76,-19.15,;45.09,-18.37,;45.23,-16.84,;46.74,-16.51,;47.51,-17.84,;46.49,-18.99,;46.48,-20.52,;47.81,-21.29,;49.14,-20.53,;47.8,-22.83,;46.46,-23.6,;45.13,-22.82,;45.14,-21.28,;43.81,-20.5,;44.08,-15.81,;44.39,-14.31,;42.62,-16.3,;41.1,-20.7,;39.77,-21.48,;39.77,-23.02,;34.43,-21.49,;34.44,-23.04,;33.1,-23.81,;31.77,-23.04,;31.77,-21.5,;33.1,-20.73,;30.44,-20.73,;29.11,-21.5,;30.44,-19.19,)|
COc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1I)c1ccc(Oc2ccccc2)cc1
CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Br)c1ccc(Oc2ccccc2)cc1
CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1
CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1F)c1ccc(Oc2ccccc2)cc1
CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1
CC(C)c1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
CCCc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
CCc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1cccc(C)c1)c1ccc(Oc2ccccc2)cc1 |r|
COc1cc(ccc1Oc1ccccc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
COc1ccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 |r|
COc1cccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c1 |r|
COc1ccccc1Oc1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1cc2ccccc2o1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccoc1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccco1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccsc1 |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1cccs1 |r|
CCOc1cccc(c1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
COc1ccc(cc1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
COc1cccc(c1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
COc1ccccc1-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccccc1 |r|
COc1ccc(C2SC(C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1
C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccc(C)cc1)c1ccc(Oc2ccccc2)cc1 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
C[C@H](CCC([O-])=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
C[C@H](CCC([O-])=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(C)(C)C)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccccc1OC)C(=O)C(C)C
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C1CCCCC1
NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 |r|
Oc1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCCc2c1C(=O)c1ccccc1
C[C@@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[C@H](c3ccccc3)c3ccccn3)c21 |r|
CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2n(C)cc(C(O)=O)c2c1)-c1c(Cl)cncc1Cl |(3.38,5.36,;3.39,3.82,;2.01,3.15,;4.67,2.96,;6.12,3.49,;7.06,2.27,;6.2,1,;4.73,1.42,;3.51,.47,;2.17,1.23,;.84,.46,;-.5,1.22,;-1.83,.44,;-1.81,-1.09,;-.48,-1.86,;-.48,-3.4,;.85,-1.08,;-3.14,-1.86,;-3.14,-3.41,;-4.48,-4.18,;-5.81,-3.41,;-7.27,-3.89,;-7.74,-5.36,;-8.18,-2.65,;-7.28,-1.41,;-7.76,.06,;-6.74,1.21,;-9.27,.37,;-5.82,-1.88,;-4.48,-1.1,;6.97,-.33,;8.5,-.33,;9.27,1,;9.27,-1.66,;8.5,-3,;6.96,-3,;6.19,-1.66,;4.65,-1.66,)|
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@H](CCCO)CC[C@H]21 |r|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@@H](O)CC[C@H]21 |r|
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r|
CCC[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
CCC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1
Cc1nn(c2NC(=O)CS[C@H](c12)c1ccc(Oc2ccccc2)cc1)-c1ccccc1C |r|
CCc1nn(c2NC(=O)[C@H](C)S[C@@H](c12)c1ccc(Oc2ccccc2)cc1)-c1ccccc1C |r|
C[C@@H]1S[C@@H](c2cnn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
C[C@H]1S[C@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
C[C@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
C[C@@H]1S[C@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
Oc1[nH]c2cc(Br)ccc2c1-c1[nH]c2ccccc2c1N=O |(23.36,-3.09,;23.85,-1.62,;25.3,-1.15,;25.3,.39,;26.44,1.42,;26.12,2.93,;27.21,4.03,;24.65,3.4,;23.52,2.36,;23.85,.86,;22.94,-.38,;21.4,-.38,;20.49,-1.64,;19.02,-1.15,;17.67,-1.92,;16.34,-1.15,;16.34,.39,;17.67,1.16,;19.02,.39,;20.49,.88,;20.96,2.33,;19.93,3.48,)|
CCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C
CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3
CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 |r,c:17,48,56,t:46|
CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
NC(Cc1cc(O)c(O)cc1O)C(O)=O
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,t:8|
CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
CCc1cc(C(=O)c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
CCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
CCc1cc(C(=O)C(C)C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
CCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)C(O)=O
CCc1cc(C(C)=O)c(OCC2CCCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(OC2CCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(OC(C)c2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(OCc2cccc(C)c2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(OC)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCCc1cc(CC)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCc1cc(CC)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CC(C)Cc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
CCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O
OC(=O)CCCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
OC(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
OC(=O)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
CCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
OC(=O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
OC(=O)CCCNC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
COC(=O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
OC(=O)CCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
Cc1ccc(cc1)-c1nn(Cc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1)-c1nn(CCCCO)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
COc1cccc(c1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C(C)C
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2cccc(OC)c2)c1
CC(C)n1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(cc1)C(F)(F)F
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2ccc(cc2)C(F)(F)F)c1
COCCc1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C(C)C
COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
CC(C)n1cc(C(=O)N(C)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2cccc(OC)c2)c1
CC(C)n1cc(CNc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
COc1cccc(Cn2cc(CNc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
Cc1nn(c(C)c1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccccc1
Fc1ccc(NC(=O)c2cnn(c2)-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
Cc1ccc(NC(=O)c2cnn(c2C(F)(F)F)-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cn(nc1-c1cccnc1)-c1ccccc1
Cc1c(cnn1-c1cccc(C)c1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccccc1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccc(F)cc1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1cccc(Cl)c1
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccc(Cl)cc1Cl
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1cccc(c1)C(F)(F)F
Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1nc2ccccc2s1
CC(C)n1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
CCCCn1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
Cc1ccc(cc1)-c1nn(Cc2ccc3ccccc3c2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1)-c1nn(CC2CC2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2ccc(C)cc2)c1
[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r|
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCCOc3c2)c1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)\C=C\c2ccccc2)c1
CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C#N
COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
CSc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)-c1nnn[nH]1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(N)=O
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CCC(O)=O)c1
Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cccc1C(O)=O
COc1ccc(cc1NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(C)(C)C)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1F)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)C(O)=O
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(c1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)c(c1)C(O)=O
CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(O)=O
Cc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(=O)Nc1cccc(c1)C(O)=O
COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
COc1ccc(C(=O)Nc2ccc(C)c(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
Cc1ccc(C(=O)Nc2ccc(C)c(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(O)=O
COc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)c(c1)C(=O)Nc1cccc(c1)C(O)=O
CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1
CC(C)n1cnc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1occ(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1oc(=O)n(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1oc(=O)n(Cc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)c1ncn(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
CC(C)n1nnc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(16.5,-24.84,;16.19,-26.35,;14.73,-26.83,;17.35,-27.37,;18.85,-27.04,;19.63,-28.37,;18.6,-29.52,;17.2,-28.89,;15.87,-29.67,;14.54,-28.91,;13.21,-29.69,;11.86,-28.92,;10.54,-29.7,;10.55,-31.23,;9.22,-32,;7.88,-31.24,;6.55,-32.01,;6.56,-33.56,;5.22,-34.34,;3.88,-33.57,;3.89,-32.02,;5.21,-31.25,;2.55,-31.25,;2.55,-29.71,;1.21,-32.02,;11.88,-32,;11.88,-33.54,;13.21,-31.23,;18.58,-31.06,;17.23,-31.8,;15.91,-31,;17.2,-33.34,;18.52,-34.13,;19.87,-33.38,;19.89,-31.84,;21.24,-31.09,)|
CC(C)c1nnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(39.02,-25.41,;38.71,-26.92,;37.25,-27.41,;39.86,-27.94,;41.37,-27.61,;42.14,-28.94,;41.12,-30.09,;39.72,-29.47,;38.39,-30.25,;37.05,-29.48,;35.72,-30.26,;34.38,-29.49,;33.05,-30.27,;33.06,-31.8,;31.73,-32.58,;30.4,-31.81,;29.07,-32.59,;29.07,-34.14,;27.73,-34.91,;26.4,-34.14,;26.4,-32.6,;27.73,-31.82,;25.06,-31.83,;25.06,-30.29,;23.73,-32.6,;34.4,-32.57,;34.4,-34.11,;35.73,-31.8,;41.09,-31.63,;39.74,-32.37,;38.42,-31.58,;39.72,-33.91,;41.04,-34.71,;42.39,-33.95,;42.41,-32.41,;43.75,-31.66,)|
CC(C)c1cnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(62.92,-25.95,;62.61,-27.46,;61.15,-27.95,;63.77,-28.48,;65.27,-28.15,;66.05,-29.48,;65.02,-30.63,;63.62,-30.01,;62.29,-30.78,;60.96,-30.02,;59.63,-30.8,;58.28,-30.03,;56.96,-30.81,;56.97,-32.34,;55.64,-33.12,;54.3,-32.35,;52.97,-33.13,;52.97,-34.68,;51.64,-35.45,;50.3,-34.68,;50.3,-33.13,;51.63,-32.36,;48.97,-32.37,;48.97,-30.83,;47.63,-33.14,;58.3,-33.11,;58.3,-34.65,;59.63,-32.34,;65,-32.17,;63.65,-32.91,;62.33,-32.12,;63.62,-34.45,;64.94,-35.24,;66.29,-34.49,;66.31,-32.95,;67.65,-32.2,)|
CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3
CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1
CC(C)N(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
CC(=O)N1CCN(CC1)c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)cc1
CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2F)c(F)c1
COc1ccc(cc1)-c1nc(no1)-c1ccccc1
CCN(CC)c1ccc2cc(-c3nc(no3)-c3ccccc3)c(=O)oc2c1
Cc1ccccc1-c1noc(n1)-c1cccc(c1)C(O)=O
Cc1ccccc1-c1noc(n1)-c1ccc(cc1)C(O)=O
Cc1ccc(cc1)-c1noc(n1)-c1ccc(Cl)cc1
Brc1ccc(cc1)-c1nc(no1)-c1ccccc1
COc1ccc(cc1)-c1nc(no1)-c1ccccc1C
COc1ccc(cc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
c1ccc(cc1)-c1noc(n1)-c1ccccc1
OC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
OC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
OC(=O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2)c1
CSc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)c1
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1
OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1
OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
CC(C)(C)c1cc(OC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1O
COc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
Cc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
CC(C)(C)c1cc(OC(=O)c2ccccc2)ccc1O
CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2)ccc1O
Cc1ccc(cc1)C(=O)Oc1ccc(O)c(c1)C(C)(C)C
CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1O
CC(C)(C)c1cc(OC(=O)Cc2ccccc2)ccc1O
CC(C)(C)c1cc(OC(=O)\C=C\c2ccccc2)ccc1O
CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O
CC(C)(C)c1cc(OC(=O)c2ccc(cc2Cl)[N+]([O-])=O)ccc1O
CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(cc2Cl)[N+]([O-])=O)ccc1O
CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2)ccc1O
CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2Cl)ccc1O
CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(c1O)C(C)(C)C
CC(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
CCc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC=C
CC(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccnc3)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3ccncc3)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccs3)cc2Cl)ccc1O
CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CCNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCC3)cc2Cl)ccc1O
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCCC3)cc2Cl)ccc1O
CN(C)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CN(C1CCCCC1)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCCCC2)ccc1O
CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCNCC2)ccc1O
CN(C)c1cc(Cl)c(C(=O)N(C)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CN(C)c1cc(Cl)c(C(=O)N(Cc2cccnc2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CN(C)c1cc(Cl)c(C(=O)N(CC2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
CN(C)c1cc(Cl)c(C(=O)N(C2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1
[H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H](C)NC=O)C(C)C)C(C)(C)C)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O |r|
[H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H](C)NC=O)C(C)C)C(C)C)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O |r|
[H]C1(NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(N)=O)N(C)C(=O)C(NC(=O)C(CS(O)(=O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC=O)C(C)C)C(C)(C)C)C(C)OC(=O)CN(C)C(=O)C(CC(N)=O)NC1=O)C(C)O
C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C
CS(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |r,wU:15.17,wD:13.13,(13.72,-.73,;12.5,-.93,;13.28,-1.88,;12.94,.22,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
CS(=O)(=O)NC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(13.72,-.73,;12.5,-.93,;13.28,-1.88,;12.94,.22,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.17,1.49,;-4.4,2.82,;-4.38,4.36,;-5.92,4.59,;-6.46,6.03,;-5.49,7.23,;-6.04,8.67,;-7.56,8.91,;-8.1,10.35,;-9.58,10.74,;-9.66,12.28,;-8.21,12.82,;-7.25,11.62,;-5.71,11.68,;-4.38,11.09,;-4.59,12.62,;-10.78,9.77,;-12.17,10.44,;-12.26,11.66,;-13.44,9.56,;-13.32,8.03,;-11.93,7.36,;-10.66,8.24,;-9.54,7.71,;-3.97,6.98,;-3.42,5.54,;-2.21,5.34,)|
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2c2ccc(nc2)-c2nnn[nH]2)c(Cl)c1 |(-9.39,-.09,;-8.54,-.98,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-7.04,-.61,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-5.34,1.53,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.35,-2.83,;4.13,-1.5,;5.45,-.71,;5.99,.71,;7.51,.96,;8.48,-.23,;7.94,-1.67,;6.42,-1.92,;10,.02,;10.68,1.39,;12.2,1.16,;12.44,-.36,;11.07,-1.07,;1.33,.77,;2.4,1.39,;,1.54,)|
OC(=O)c1cccc(c1)[C@H]1C[C@@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.14,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cccc(c1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.15,(7.33,5.1,;6.4,4.3,;5.24,4.71,;6.68,2.79,;8.14,2.27,;8.42,.76,;7.25,-.24,;5.81,.27,;5.51,1.78,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.13,wD:9.9,(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cccc(c1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cccc(c1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.13,(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.13,wD:9.9,(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cncc(c1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(7.28,3.36,;8.06,2.4,;9.27,2.6,;7.51,.96,;8.48,-.23,;7.94,-1.67,;6.42,-1.92,;5.45,-.71,;5.99,.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |(6.11,3.04,;5.44,2.01,;4.21,2.08,;6.13,.64,;7.65,.38,;7.88,-1.14,;6.5,-1.83,;5.45,-.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;9.24,-1.85,;9.3,-3.08,;10.28,-1.19,)|
CC(C)n1nc(cc1[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |r,wU:10.12,wD:8.8,(6.11,3.04,;5.44,2.01,;4.21,2.08,;6.13,.64,;7.65,.38,;7.88,-1.14,;6.5,-1.83,;5.45,-.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;9.24,-1.85,;9.3,-3.08,;10.28,-1.19,)|
OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.14,9.9,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
CO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:4.6,wD:2.16,(3.73,-3.7,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)CNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(13.04,-3.28,;13.47,-2.12,;14.69,-1.93,;12.5,-.93,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
OS(=O)(=O)CCNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(16.21,-1.68,;15,-1.88,;15.77,-2.83,;15.43,-.73,;13.47,-2.12,;12.5,-.93,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1ccc(cc1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.15,(10.47,2.87,;9.31,3.28,;9.08,4.49,;8.14,2.27,;8.42,.76,;7.25,-.24,;5.81,.27,;5.51,1.78,;6.68,2.79,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OCCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:6.8,wD:4.18,(5.06,-6.02,;4,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:5.7,wD:3.17,(4,-5.09,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
OC(=O)c1cccc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(9.37,-2.45,;9.6,-1.24,;10.76,-.83,;8.43,-.24,;8.71,1.28,;7.54,2.28,;6.09,1.77,;5.81,.27,;6.97,-.75,;4.47,-.5,;2.99,-.1,;2.67,-1.54,;2.67,-2.77,;4.07,-1.99,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
Cn1nc(C(O)=O)c2ccc(cc12)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:13.14,wD:15.20,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.15,1.11,;-5.56,2.59,;-6.62,1.97,;-4.07,3,;-5.55,4.13,;-6.89,4.9,;-6.88,6.44,;-5.55,7.21,;-5.55,8.75,;-6.89,9.52,;-6.89,11.06,;-5.64,11.94,;-6.11,13.41,;-7.65,13.41,;-8.13,11.95,;-9.59,11.46,;-10.66,12.58,;-10.31,13.76,;-12.15,12.22,;-12.58,10.74,;-11.52,9.63,;-10.02,9.99,;-9.17,9.1,;-4.18,11.46,;-3.15,10.43,;-2.8,11.93,;-4.22,6.44,;-4.22,4.9,;-3.15,4.28,)|
OC(=O)c1cncc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(6.9,4.6,;7.83,3.79,;8.99,4.2,;7.54,2.28,;8.71,1.28,;8.43,-.24,;6.97,-.75,;5.81,.27,;6.09,1.77,;4.47,-.5,;2.99,-.1,;2.67,-1.54,;2.67,-2.77,;4.07,-1.99,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)NNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(13.5,-6.25,;12.87,-4.85,;13.77,-3.6,;11.34,-4.69,;10.56,-3.36,;9.06,-3.69,;8.9,-5.22,;10.31,-5.84,;10.64,-7.35,;12.11,-7.82,;12.43,-9.32,;13.89,-9.78,;14.22,-11.28,;13.08,-12.33,;13.41,-13.83,;14.88,-14.3,;15.2,-15.8,;14.07,-16.84,;14.39,-18.34,;15.86,-18.81,;17,-17.76,;16.67,-16.26,;18.48,-18.22,;19.61,-17.18,;18.81,-19.73,;20.28,-20.19,;21.41,-19.15,;21.08,-17.65,;22.88,-19.61,;24.02,-18.57,;23.68,-17.08,;24.81,-16.03,;26.28,-16.5,;26.62,-18,;25.48,-19.04,;28.09,-18.47,;28.42,-19.97,;29.63,-18.47,;27.41,-15.46,;27.07,-13.96,;25.61,-13.49,;25.28,-11.99,;26.42,-10.95,;26.1,-9.44,;27.89,-11.42,;28.22,-12.92,;29.68,-13.38,;30.01,-14.89,;31.47,-15.35,;31.79,-16.85,;33.25,-17.32,;30.65,-17.88,;29.2,-17.41,;28.88,-15.92,;11.61,-11.85,;10.47,-12.89,;11.29,-10.35,;7.57,-5.99,;6.23,-5.23,;6.23,-3.69,;4.91,-6,;4.9,-7.54,;6.24,-8.31,;7.58,-7.54,;8.91,-8.31,)|
Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2cc(ccc2n1C)C(O)=O |r|
C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Cn1c(nc2ccc(cc12)C(O)=O)[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)C(C)(C)C |r|
CC[C@H](C)[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccc(Cl)cc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC(C)C)c3nc4ccc(cc4n3C)C(O)=O)C2=O)cc1 |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(OC2CCCCC2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(cc1)-c1ccccc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(F)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(C)(C)C1=O)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1CCN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
Cc1ccc2nc([C@H](CC3CCCCC3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r|
Cn1c(nc2ccc(cc12)C(O)=O)[C@H](Cc1ccccc1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Cn1c(nc2ccc(cc12)C(O)=O)[C@H](CC1CCCCC1)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1cccc(Oc2ccccc2)c1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(C)cc2n1C |r|
CC(C)C[C@@H](N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
CC(C)C[C@H](N1CC(=O)N(CC1=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccc(cc2n1C)C(O)=O |r|
COc1cccc(\C=C\C(=O)c2cccc(O)c2O)c1
COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O
COc1cccc(\C=C\C(=O)c2ccc(O)cc2O)c1
COc1cccc(\C=C\C(=O)c2cc(O)ccc2O)c1
COc1ccc2OCC(=Cc2c1)C(=O)c1cccc(O)c1O |c:8|
COc1cccc2OCC(=Cc12)C(=O)c1ccc(O)cc1O |c:9|
COc1ccc2C=C(COc2c1)C(=O)c1cc(O)ccc1O |c:6|
COc1ccc(\C=C\C(=O)c2cccc(O)c2)cc1OC
CC(C)(C)n1ncc(C(=O)Nc2ccc3cnn(CC4CCN(CC4)c4ccc(cc4)C(O)=O)c3c2)c1-c1ccc(F)cc1
COc1ccccc1\C=C\C(=O)c1cccc(O)c1
COc1ccccc1\C=C\C(=O)c1cccc(O)c1O
COc1ccccc1\C=C\C(=O)c1cc(O)ccc1O
COc1cccc2C=C(COc12)C(=O)c1cc(O)ccc1O |c:7|