116 SMILES Strings for G protein-activated inward rectifier potassium channel 1/4

Compound Name
SMILES String
OC[C@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;4.67,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)|
OCC(O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)|
CC(C)(O)C(O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-2,-7.48,;-2,-5.94,;-2,-4.4,;-.67,-5.17,;-3.33,-5.17,;-4.67,-5.94,;-3.33,-3.63,;-2,-2.86,;-2,-1.32,;-3.33,-.55,;-3.33,.99,;-2,1.76,;-2,3.3,;-.67,.99,;.67,1.76,;2,.99,;3.33,1.76,;4.67,.99,;2,-.55,;.67,-1.32,;.67,-2.86,;-.67,-.55,;.67,4.4,;-.67,5.17,;-2,4.4,;-.67,6.71,;.67,7.48,;2,6.71,;2,5.17,;3.33,4.4,)|
OCc1cc(=O)c2c(OCC3(CO)COC3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.55,1.45,;3.21,2.22,;1.88,1.45,;1.88,-.09,;.54,-.86,;.54,-2.4,;-.79,-.09,;-2.12,-.86,;-2.12,-2.4,;-3.46,-3.17,;-3.46,-4.71,;-2.12,-3.94,;-.79,-4.71,;-4.55,-5.8,;-3.46,-6.88,;-2.37,-5.8,;-3.46,-.09,;-3.46,1.45,;-2.12,2.22,;-2.12,3.76,;-.79,1.45,;.54,2.22,;.54,3.8,;-.79,4.57,;-2.12,5.34,;-.79,6.11,;.54,6.88,;1.88,6.11,;1.88,4.57,;3.21,3.8,)|
CS(=O)(=O)NCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-3.9,-7.72,;-3.9,-6.18,;-5.44,-6.18,;-2.36,-6.18,;-3.9,-4.64,;-2.56,-3.87,;-2.56,-2.33,;-1.23,-1.56,;-1.23,-.02,;-2.56,.75,;-2.56,2.29,;-1.23,3.06,;-1.23,4.6,;.1,2.29,;1.44,3.06,;2.77,2.29,;4.1,3.06,;5.44,2.29,;2.77,.75,;1.44,-.02,;1.44,-1.56,;.1,.75,;1.44,4.64,;.1,5.41,;-1.23,6.18,;.1,6.95,;1.44,7.72,;2.77,6.95,;2.77,5.41,;4.1,4.64,)|
OCCOCCOCCOCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(17.43,-1.42,;16.1,-2.19,;14.77,-1.42,;13.43,-2.19,;12.1,-1.42,;10.77,-2.19,;9.43,-1.42,;8.1,-2.19,;6.76,-1.42,;5.43,-2.19,;4.1,-1.42,;2.76,-2.19,;1.43,-1.42,;.1,-2.19,;.1,-3.73,;-1.24,-4.5,;-2.57,-3.73,;-3.9,-4.5,;-2.57,-2.19,;-3.9,-1.42,;-3.9,.12,;-5.24,.89,;-5.24,2.43,;-2.57,.89,;-1.24,.12,;.1,.89,;-1.24,-1.42,;-5.24,-2.19,;-6.57,-1.42,;-6.57,.12,;-7.91,-2.19,;-7.91,-3.73,;-6.57,-4.5,;-5.24,-3.73,;-4.61,-5.14,)|
OCC(CO)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-4.67,-7.54,;-4.67,-6,;-3.33,-5.23,;-2,-6,;-2,-7.54,;-3.33,-3.69,;-2,-2.92,;-2,-1.38,;-3.33,-.61,;-3.33,.93,;-2,1.7,;-2,3.24,;-.67,.93,;.67,1.7,;2,.93,;3.33,1.7,;4.67,.93,;2,-.61,;.67,-1.38,;.67,-2.92,;-.67,-.61,;.67,4.46,;-.67,5.23,;-2,4.46,;-.67,6.77,;.67,7.54,;2,6.77,;2,5.23,;3.33,4.46,)|
OCC(CO)Oc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-4.46,;-4,-3.69,;-2.67,-4.46,;-2.67,-6,;-4,-6.77,;-1.33,-3.69,;-1.33,-2.15,;-2.67,-1.38,;-2.67,.16,;-1.33,.93,;-1.33,2.47,;,.16,;1.33,.93,;2.67,.16,;4,.93,;5.33,.16,;2.67,-1.38,;1.33,-2.15,;1.33,-3.69,;,-1.38,;1.33,3.69,;,4.46,;-1.33,3.69,;,6,;1.33,6.77,;2.67,6,;2.67,4.46,;4,3.69,)|
OCc1cc(=O)c2c(OCC3COC3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.55,1.47,;3.21,2.24,;1.88,1.47,;1.88,-.07,;.54,-.84,;.54,-2.38,;-.79,-.07,;-2.12,-.84,;-2.12,-2.38,;-3.46,-3.15,;-3.46,-4.69,;-4.55,-5.78,;-3.46,-6.86,;-2.37,-5.78,;-3.46,-.07,;-3.46,1.47,;-2.12,2.24,;-2.12,3.78,;-.79,1.47,;.54,2.24,;.54,3.78,;-.79,4.55,;-2.12,5.32,;-.79,6.09,;.54,6.86,;1.88,6.09,;1.88,4.55,;3.21,3.78,)|
COCCOCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.36,-8.74,;-4.27,-7.65,;-4.67,-6.16,;-3.58,-5.07,;-3.98,-3.58,;-2.64,-2.81,;-2.64,-1.27,;-1.31,-.5,;-1.31,1.04,;-2.64,1.81,;-2.64,3.35,;-1.31,4.12,;-1.31,5.66,;.02,3.35,;1.36,4.12,;2.69,3.35,;4.02,4.12,;5.36,3.35,;2.69,1.81,;1.36,1.04,;1.36,-.5,;.02,1.81,;1.36,5.66,;.02,6.43,;-1.31,7.2,;.02,7.97,;1.36,8.74,;2.69,7.97,;2.69,6.43,;4.02,5.66,)|
OCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-5,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;,-1.93,;1.33,1.93,;,2.7,;-1.33,3.47,;,4.24,;1.33,5,;2.67,4.24,;2.67,2.7,;4.21,2.7,)|
OCCOCCOCCOCCNc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(17.43,-1.32,;16.1,-2.09,;14.77,-1.32,;13.43,-2.09,;12.1,-1.32,;10.77,-2.09,;9.43,-1.32,;8.1,-2.09,;6.76,-1.32,;5.43,-2.09,;4.1,-1.32,;2.76,-2.09,;1.43,-1.32,;.1,-2.09,;.1,-3.63,;-1.24,-4.4,;-2.57,-3.63,;-3.9,-4.4,;-2.57,-2.09,;-3.9,-1.32,;-3.9,.22,;-5.24,.99,;-5.24,2.53,;-2.57,.99,;-1.24,.22,;.1,.99,;-1.24,-1.32,;-5.24,-2.09,;-6.57,-1.32,;-6.57,.22,;-7.91,-2.09,;-7.91,-3.63,;-6.57,-4.4,;-5.24,-3.63,;-4.61,-5.04,)|
Cc1cc(=O)c2c(NCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(-4.35,-4.11,;-3.02,-3.34,;-3.02,-1.8,;-1.68,-1.03,;-1.68,.51,;-.35,-1.8,;.99,-1.03,;.99,.51,;2.32,1.28,;3.65,.51,;4.99,1.28,;6.32,.51,;7.65,1.28,;8.99,.51,;10.32,1.28,;11.66,.51,;12.99,1.28,;14.32,.51,;15.66,1.28,;16.99,.51,;18.32,1.28,;19.66,.51,;20.99,1.28,;2.32,-1.8,;2.32,-3.34,;.99,-4.11,;.99,-5.65,;-.35,-3.34,;-1.68,-4.11,;-1.68,-5.65,;-3.02,-6.42,;-4.35,-5.65,;-3.02,-7.96,;-1.68,-8.73,;-.35,-7.96,;-.35,-6.42,;1.18,-6.58,)|
COCCOCCOCCOCCOCCOCCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cccc1Cl |(-8.28,2.64,;-8.68,1.16,;-7.59,.07,;-7.99,-1.42,;-6.9,-2.51,;-7.3,-4,;-6.21,-5.09,;-6.61,-6.57,;-5.84,-7.91,;-4.3,-7.91,;-3.53,-9.24,;-1.99,-9.24,;-1.99,-7.7,;-.66,-6.93,;-.66,-5.39,;.68,-4.62,;.68,-3.08,;2.01,-2.31,;2.01,-.77,;3.35,,;3.35,1.54,;2.01,2.31,;2.01,3.85,;3.35,4.62,;3.35,6.16,;4.68,3.85,;6.01,4.62,;7.35,3.85,;8.68,4.62,;7.35,2.31,;6.01,1.54,;6.01,,;4.68,2.31,;6.01,6.16,;4.68,6.93,;3.35,7.7,;4.68,8.47,;6.01,9.24,;7.35,8.47,;7.35,6.93,;8.68,6.16,)|
Cc1cc(=O)c2c(NCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(-5,1.09,;-3.67,.32,;-2.33,1.09,;-1,.32,;.33,1.09,;-1,-1.22,;.33,-1.99,;1.67,-1.22,;3,-1.99,;4.34,-1.22,;5.67,-1.99,;7,-1.22,;8.34,-1.99,;9.67,-1.22,;11,-1.99,;12.34,-1.22,;13.67,-1.99,;15.01,-1.22,;16.34,-1.99,;17.67,-1.22,;.33,-3.53,;-1,-4.3,;-2.33,-3.53,;-3.67,-4.3,;-2.33,-1.99,;-3.67,-1.22,;-5,-1.99,;-6.33,-1.22,;-6.33,.32,;-7.67,-1.99,;-7.67,-3.53,;-6.33,-4.3,;-5,-3.53,;-4.37,-4.94,)|
Cc1cc(=O)c2c(NCC(O)C(=O)NCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.72,;2.67,.95,;2.67,-.59,;1.33,-1.36,;1.33,-2.9,;,-.59,;-1.33,-1.36,;-1.33,-2.9,;-2.67,-3.67,;-2.67,-5.21,;-4,-5.98,;-1.33,-5.98,;-1.33,-7.52,;,-5.21,;1.33,-5.98,;2.67,-5.21,;4,-5.98,;-2.67,-.59,;-2.67,.95,;-1.33,1.72,;-1.33,3.26,;,.95,;1.33,1.72,;1.33,4.44,;,5.21,;-1.33,4.44,;,6.75,;1.33,7.52,;2.67,6.75,;2.67,5.21,;4,4.44,)|
Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N |(4,-.59,;2.67,-1.36,;2.67,-2.9,;1.33,-3.67,;1.33,-5.21,;,-2.9,;-1.33,-3.67,;-1.33,-5.21,;-2.67,-5.98,;-2.67,-7.52,;-4,-8.29,;-1.33,-8.29,;,-7.52,;-2.67,-2.9,;-2.67,-1.36,;-1.33,-.59,;-1.33,.95,;,-1.36,;1.33,-.59,;1.33,2.13,;,2.9,;-1.33,2.13,;,4.44,;1.33,5.26,;2.67,4.44,;2.67,2.9,;4,2.13,;1.33,6.8,;1.33,8.34,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(-2.95,.53,;-1.62,-.24,;-.28,.53,;1.05,-.24,;2.38,.53,;1.05,-1.78,;2.38,-2.55,;3.72,-1.78,;5.05,-2.55,;6.39,-1.78,;7.72,-2.55,;9.05,-1.78,;10.39,-2.55,;11.72,-1.78,;13.05,-2.55,;14.39,-1.78,;15.72,-2.55,;17.06,-1.78,;18.39,-2.55,;19.72,-1.78,;21.06,-2.55,;22.39,-1.78,;23.72,-2.55,;25.06,-1.78,;26.39,-2.55,;27.72,-1.78,;2.38,-4.09,;1.05,-4.86,;-.28,-4.09,;-1.62,-4.86,;-.28,-2.55,;-1.62,-1.78,;-2.95,-2.55,;-4.28,-1.78,;-4.28,-.24,;-5.62,-2.55,;-5.62,-4.09,;-4.28,-4.86,;-2.95,-4.09,;-2.32,-5.5,)|
Cc1cc(=O)c2c(OCC(O)COCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.33,.95,;2,.18,;2,-1.36,;.67,-2.13,;.67,-3.67,;-.67,-1.36,;-2,-2.13,;-2,-3.67,;-3.33,-4.44,;-3.33,-5.98,;-4.67,-6.75,;-2,-6.75,;-.67,-5.98,;.67,-6.75,;2,-5.98,;2,-4.44,;3.33,-6.75,;4.67,-5.98,;-3.33,-1.36,;-3.33,.18,;-2,.95,;-2,2.49,;-.67,.18,;.67,.95,;.67,3.67,;-.67,4.44,;-2,3.67,;-.67,5.98,;.67,6.75,;2,5.98,;2,4.44,;3.33,3.67,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1C#N |(-5.21,1.07,;-3.88,.3,;-2.54,1.07,;-1.21,.3,;.12,1.07,;-1.21,-1.24,;.12,-2.01,;1.46,-1.24,;2.79,-2.01,;4.13,-1.24,;5.46,-2.01,;6.79,-1.24,;8.13,-2.01,;9.46,-1.24,;10.79,-2.01,;12.13,-1.24,;13.46,-2.01,;14.8,-1.24,;16.13,-2.01,;17.46,-1.24,;.12,-3.55,;-1.21,-4.32,;-2.54,-3.55,;-3.88,-4.32,;-2.54,-2.01,;-3.88,-1.24,;-5.21,-2.01,;-5.21,-3.55,;-4.58,-4.95,;-6.54,-4.32,;-7.88,-3.55,;-7.88,-2.01,;-6.54,-1.24,;-6.54,.3,;-6.54,1.84,)|
Cc1cc(=O)c2c(NCCNS(C)(=O)=O)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-.77,;-2,-1.54,;-2,-3.08,;-.67,-3.85,;-.67,-5.39,;.67,-6.16,;.67,-7.7,;.67,-9.24,;-.87,-7.7,;2.21,-7.7,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-2,3.08,;-.67,5.39,;.67,6.22,;2,5.39,;2,3.85,;3.33,3.08,;.67,7.76,;.67,9.3,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1C#N |(-4.81,.62,;-3.47,-.15,;-2.14,.62,;-.8,-.15,;.53,.62,;-.8,-1.69,;.53,-2.46,;1.86,-1.69,;3.2,-2.46,;4.53,-1.69,;5.86,-2.46,;7.2,-1.69,;8.53,-2.46,;9.86,-1.69,;11.2,-2.46,;12.53,-1.69,;13.87,-2.46,;15.2,-1.69,;16.53,-2.46,;17.87,-1.69,;.53,-4,;-.8,-4.77,;-2.14,-4,;-3.47,-4.77,;-2.14,-2.46,;-3.47,-1.69,;-4.81,-2.46,;-4.81,-4,;-4.18,-5.4,;-6.14,-4.77,;-7.47,-4,;-8.81,-4.77,;-7.47,-2.46,;-6.14,-1.69,;-6.14,-.15,;-6.14,1.39,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl |(-3.42,.34,;-2.09,-.43,;-.75,.34,;.58,-.43,;1.91,.34,;.58,-1.97,;1.91,-2.74,;3.25,-1.97,;4.58,-2.74,;5.91,-1.97,;7.25,-2.74,;8.58,-1.97,;9.92,-2.74,;11.25,-1.97,;12.58,-2.74,;13.92,-1.97,;15.25,-2.74,;16.58,-1.97,;17.92,-2.74,;19.25,-1.97,;20.59,-2.74,;21.92,-1.97,;23.25,-2.74,;1.91,-4.28,;.58,-5.05,;-.75,-4.28,;-2.09,-5.05,;-.75,-2.74,;-2.09,-1.97,;-3.42,-2.74,;-4.75,-1.97,;-4.75,-.43,;-6.09,-2.74,;-6.09,-4.28,;-7.42,-5.05,;-4.75,-5.05,;-3.42,-4.28,;-2.79,-5.69,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N)N1CCN(CCO)CC1 |(3.33,1.34,;2,.57,;2,-.97,;.67,-1.74,;.67,-3.28,;-.67,-.97,;-2,-1.74,;-3.33,-.97,;-3.33,.57,;-2,1.34,;-2,2.88,;-.67,.57,;.67,1.34,;.67,4.05,;-.67,4.82,;-2,4.05,;-.67,6.36,;.67,7.19,;2,6.36,;2,4.82,;3.33,4.05,;.67,8.73,;.67,10.27,;-2,-3.28,;-3.33,-4.05,;-3.33,-5.59,;-2,-6.36,;-2,-7.9,;-.67,-8.67,;-.67,-10.21,;-.67,-5.59,;-.67,-4.05,)|
Cc1cc(=O)c2c(OCC(O)C(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,2.11,;2.67,1.34,;2.67,-.2,;1.33,-.97,;1.33,-2.51,;,-.2,;-1.33,-.97,;-1.33,-2.51,;-2.67,-3.28,;-2.67,-4.82,;-4,-5.59,;-1.33,-5.59,;,-4.82,;-1.33,-7.13,;,-7.9,;-2.67,-.2,;-2.67,1.34,;-1.33,2.11,;-1.33,3.65,;,1.34,;1.33,2.11,;1.33,4.82,;,5.59,;-1.33,4.82,;,7.13,;1.33,7.9,;2.67,7.13,;2.67,5.59,;4,4.82,)|
Cc1cc(=O)c2c(NCCO)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,,;2,-.77,;2,-2.31,;.67,-3.08,;.67,-4.62,;-.67,-2.31,;-2,-3.08,;-2,-4.62,;-.67,-5.39,;-.67,-6.93,;.67,-7.7,;-3.33,-2.31,;-3.33,-.77,;-2,,;-.67,-.77,;.67,,;.67,1.54,;-.67,2.31,;-2,1.54,;-.67,3.85,;.67,4.68,;2,3.85,;2,2.31,;3.33,1.54,;.67,6.22,;.67,7.76,)|
Cc1cc(=O)c2c(OCC(CO)(CO)CO)cnc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-3.85,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-4,-5.39,;-4,-6.93,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,;-1.33,5.39,)|
Cc1cc(=O)c2c(cncc2n1-c1c(Cl)cc(cc1Cl)C#N)N1CC(O)C1 |(3.33,.32,;2,-.45,;2,-1.99,;.67,-2.76,;.67,-4.3,;-.67,-1.99,;-2,-2.76,;-3.33,-1.99,;-3.33,-.45,;-2,.32,;-.67,-.45,;.67,.32,;.67,1.86,;-.67,2.63,;-2,1.86,;-.67,4.17,;.67,4.99,;2,4.17,;2,2.63,;3.33,1.86,;.67,6.53,;.67,8.07,;-2,-4.3,;-3.09,-5.39,;-2,-6.48,;-2,-8.02,;-.91,-5.39,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(12.06,-4.58,;10.73,-3.81,;9.39,-4.58,;8.06,-3.81,;6.73,-4.58,;8.06,-2.27,;6.73,-1.5,;5.39,-2.27,;4.06,-1.5,;2.72,-2.27,;1.39,-1.5,;.06,-2.27,;-1.28,-1.5,;-2.61,-2.27,;-3.94,-1.5,;-5.28,-2.27,;-6.61,-1.5,;-7.94,-2.27,;-9.28,-1.5,;-10.61,-2.27,;6.73,.04,;8.06,.81,;9.39,.04,;10.73,.81,;9.39,-1.5,;10.73,-2.27,;12.06,-1.5,;13.39,-2.27,;13.39,-3.81,;14.73,-1.5,;14.73,.04,;13.39,.81,;12.06,.04,;11.43,1.45,)|
Cc1cc(=O)c2c(cnc(Cl)c2n1-c1c(Cl)cccc1Cl)N1C[C@@H](O)C[C@@H]1CO |r,wU:23.26,wD:26.30,(4.62,1.32,;3.29,.55,;3.29,-.99,;1.96,-1.76,;1.96,-3.3,;.62,-.99,;-.71,-1.76,;-2.04,-.99,;-2.04,.55,;-.71,1.32,;-.71,2.86,;.62,.55,;1.96,1.32,;1.96,3.92,;.62,4.69,;-.71,3.92,;.62,6.23,;1.96,7,;3.29,6.23,;3.29,4.69,;4.62,3.92,;-.71,-3.3,;.54,-4.2,;.06,-5.67,;.83,-7,;-1.48,-5.67,;-1.96,-4.2,;-3.29,-3.43,;-4.62,-4.2,)|
Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl |(11.85,-4.94,;10.52,-4.17,;9.18,-4.94,;7.85,-4.17,;6.51,-4.94,;7.85,-2.63,;6.51,-1.86,;5.18,-2.63,;3.85,-1.86,;2.51,-2.63,;1.18,-1.86,;-.15,-2.63,;-1.49,-1.86,;-2.82,-2.63,;-4.15,-1.86,;-5.49,-2.63,;-6.82,-1.86,;-8.16,-2.63,;-9.49,-1.86,;-10.82,-2.63,;6.51,-.32,;7.85,.45,;9.18,-.32,;10.52,.45,;9.18,-1.86,;10.52,-2.63,;11.85,-1.86,;13.18,-2.63,;13.18,-4.17,;14.52,-1.86,;14.52,-.32,;15.85,.45,;13.18,.45,;11.85,-.32,;11.22,1.09,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)N1C[C@H](O)[C@H](O)C1 |r,wD:25.28,23.26,(3.44,1.32,;2.1,.55,;2.1,-.99,;.77,-1.76,;.77,-3.3,;-.56,-.99,;-1.9,-1.76,;-3.23,-.99,;-3.23,.55,;-1.9,1.32,;-1.9,2.86,;-.56,.55,;.77,1.32,;.77,3.92,;-.56,4.69,;-1.9,3.92,;-.56,6.23,;.77,7,;2.1,6.23,;2.1,4.69,;3.44,3.92,;-1.9,-3.3,;-.65,-4.2,;-1.13,-5.67,;-.36,-7,;-2.67,-5.67,;-3.44,-7,;-3.14,-4.2,)|
Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1C#N |(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-3.33,-3.61,;-3.33,-5.15,;-2,-5.92,;-4.67,-5.92,;-4.67,-7.46,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2.05,5.12,;3.38,4.35,;4.72,3.58,)|
Cc1cc(=O)c2c(NCCc3c[nH]cn3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;2.52,-2.07,;1.18,.24,;-.15,-.53,;-.15,-2.07,;-1.48,-2.84,;-1.48,-4.38,;-2.82,-5.15,;-4.28,-4.68,;-5.19,-5.92,;-4.28,-7.17,;-2.82,-6.69,;-1.48,.24,;-1.48,1.78,;-.15,2.55,;-.15,4.09,;1.18,1.78,;2.52,2.55,;2.52,4.09,;1.18,4.86,;-.15,5.63,;1.18,6.4,;2.52,7.17,;3.85,6.4,;3.85,4.86,;5.19,4.09,)|
Cc1cc(=O)c2c(OCCNS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.77,3.08,;3.44,2.31,;3.44,.77,;2.1,,;2.1,-1.54,;.77,.77,;-.56,,;-.56,-1.54,;-1.9,-2.31,;-1.9,-3.85,;-3.23,-4.62,;-3.23,-6.16,;-3.23,-7.7,;-4.77,-6.16,;-1.69,-6.16,;-1.9,.77,;-1.9,2.31,;-.56,3.08,;-.56,4.62,;.77,2.31,;2.1,3.08,;2.1,4.62,;.77,5.39,;-.56,6.16,;.77,6.93,;2.1,7.7,;3.44,6.93,;3.44,5.39,;4.77,4.62,)|
Cc1cc(=O)c2c(NCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(12.06,-4.58,;10.73,-3.81,;9.39,-4.58,;8.06,-3.81,;6.73,-4.58,;8.06,-2.27,;6.73,-1.5,;5.39,-2.27,;4.06,-1.5,;2.72,-2.27,;1.39,-1.5,;.06,-2.27,;-1.28,-1.5,;-2.61,-2.27,;-3.94,-1.5,;-5.28,-2.27,;-6.61,-1.5,;-7.94,-2.27,;-9.28,-1.5,;-10.61,-2.27,;6.73,.04,;8.06,.81,;9.39,.04,;10.73,.81,;9.39,-1.5,;10.73,-2.27,;12.06,-1.5,;13.39,-2.27,;13.39,-3.81,;14.73,-1.5,;14.73,.04,;13.39,.81,;12.06,.04,;11.43,1.45,)|
Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,-.14,;3.33,-.91,;3.33,-2.45,;2,-3.22,;2,-4.76,;.67,-2.45,;-.67,-3.22,;-.67,-4.76,;-2,-5.53,;-3.33,-4.76,;-4.67,-5.53,;-3.33,-3.22,;-4.67,-2.45,;-2,-2.45,;-2,-.91,;-.67,-.14,;-.67,1.4,;.67,-.91,;2,-.14,;2,2.45,;.67,3.22,;-.67,2.45,;.67,4.76,;2,5.53,;3.33,4.76,;3.33,3.22,;4.67,2.45,)|
Cc1cc(=O)c2c(NC[C@H](O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wD:9.9,(4.67,-.14,;3.33,-.91,;3.33,-2.45,;2,-3.22,;2,-4.76,;.67,-2.45,;-.67,-3.22,;-.67,-4.76,;-2,-5.53,;-3.33,-4.76,;-4.67,-5.53,;-3.33,-3.22,;-4.67,-2.45,;-2,-2.45,;-2,-.91,;-.67,-.14,;-.67,1.4,;.67,-.91,;2,-.14,;2,2.45,;.67,3.22,;-.67,2.45,;.67,4.76,;2,5.53,;3.33,4.76,;3.33,3.22,;4.67,2.45,)|
Cc1cc(=O)c2c(OCC(O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
Cc1cc(=O)c2c(OCC(C)(CO)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,2.31,;3.33,1.54,;3.33,,;2,-.77,;2,-2.31,;.67,,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-2,-4.62,;-.67,-3.85,;-.67,-5.39,;-.67,-6.93,;-3.33,-5.39,;-4.67,-4.62,;-2,,;-2,1.54,;-.67,2.31,;-.67,3.85,;.67,1.54,;2,2.31,;2,3.85,;.67,4.62,;-.67,5.39,;.67,6.16,;2,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,)|
Cc1cc(=O)c2c(OCC(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-1.33,-6.16,;-1.33,-4.62,;-4,-6.16,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;1.33,1.54,;1.33,3.08,;,3.85,;-1.33,4.62,;,5.39,;1.33,6.16,;2.67,5.39,;2.67,3.85,;4,3.08,)|
Cc1cc(=O)c2c(N[C@@H]3COC[C@H]3O)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N |r,wU:8.7,wD:12.13,(4.52,-.47,;3.19,-1.24,;3.19,-2.78,;1.85,-3.55,;1.85,-5.09,;.52,-2.78,;-.82,-3.55,;-.82,-5.09,;-2.15,-5.86,;-3.61,-5.38,;-4.52,-6.63,;-3.61,-7.87,;-2.15,-7.4,;-.82,-8.17,;-2.15,-2.78,;-2.15,-1.24,;-.82,-.47,;-.82,1.07,;.52,-1.24,;1.85,-.47,;1.85,2.01,;3.19,2.78,;4.52,2.01,;3.19,4.32,;1.85,5.14,;.52,4.32,;.52,2.78,;-.82,2.01,;1.85,6.68,;1.85,8.22,)|
Cc1cc(=O)c2c(NOCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N |(4,.3,;2.67,-.47,;2.67,-2.01,;1.33,-2.78,;1.33,-4.32,;,-2.01,;-1.33,-2.78,;-1.33,-4.32,;-2.67,-5.09,;-2.67,-6.63,;-4,-7.4,;-4,-8.94,;-2.67,-2.01,;-2.67,-.47,;-1.33,.3,;-1.33,1.84,;,-.47,;1.33,.3,;1.33,2.78,;2.67,3.55,;4,2.78,;2.67,5.09,;1.33,5.91,;,5.09,;,3.55,;-1.33,2.78,;1.33,7.45,;1.33,8.99,)|
Cc1cc(=O)c2c(Nc3nnnn3C)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.52,1.07,;3.19,.3,;3.19,-1.24,;1.85,-2.01,;1.85,-3.55,;.52,-1.24,;-.82,-2.01,;-.82,-3.55,;-2.15,-4.32,;-3.61,-3.84,;-4.52,-5.09,;-3.61,-6.33,;-2.15,-5.86,;-.82,-6.63,;-2.15,-1.24,;-2.15,.3,;-.82,1.07,;-.82,2.61,;.52,.3,;1.85,1.07,;1.85,3.55,;3.19,4.32,;4.52,3.55,;3.19,5.86,;1.85,6.63,;.52,5.86,;.52,4.32,;-.82,3.55,)|
Cc1cc(=O)c2c(Oc3nnnn3C)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.52,1.07,;3.19,.3,;3.19,-1.24,;1.85,-2.01,;1.85,-3.55,;.52,-1.24,;-.82,-2.01,;-.82,-3.55,;-2.15,-4.32,;-3.61,-3.84,;-4.52,-5.09,;-3.61,-6.33,;-2.15,-5.86,;-.82,-6.63,;-2.15,-1.24,;-2.15,.3,;-.82,1.07,;-.82,2.61,;.52,.3,;1.85,1.07,;1.85,3.55,;3.19,4.32,;4.52,3.55,;3.19,5.86,;1.85,6.63,;.52,5.86,;.52,4.32,;-.82,3.55,)|
Cc1cc(=O)c2c(Nc3nnn(C)n3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(5.29,.93,;3.96,.16,;3.96,-1.38,;2.62,-2.15,;2.62,-3.69,;1.29,-1.38,;-.05,-2.15,;-.05,-3.69,;-1.38,-4.46,;-1.38,-6,;-2.84,-6.48,;-3.75,-5.23,;-5.29,-5.23,;-2.84,-3.99,;-1.38,-1.38,;-1.38,.16,;-.05,.93,;-.05,2.47,;1.29,.16,;2.62,.93,;2.62,3.4,;3.96,4.17,;5.29,3.4,;3.96,5.71,;2.62,6.48,;1.29,5.71,;1.29,4.17,;-.05,3.4,)|
Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.07,;2.67,.3,;2.67,-1.24,;1.33,-2.01,;1.33,-3.55,;,-1.24,;-1.33,-2.01,;-1.33,-3.55,;-2.67,-4.32,;-2.67,-5.86,;-4,-6.63,;-2.67,-1.24,;-2.67,.3,;-1.33,1.07,;-1.33,2.61,;,.3,;1.33,1.07,;1.33,3.55,;2.67,4.32,;4,3.55,;2.67,5.86,;1.33,6.63,;,5.86,;,4.32,;-1.33,3.55,)|
Cc1cc(=O)c2c(NOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.84,;2.67,1.07,;2.67,-.47,;1.33,-1.24,;1.33,-2.78,;,-.47,;-1.33,-1.24,;-1.33,-2.78,;-2.67,-3.55,;-2.67,-5.09,;-4,-5.86,;-4,-7.4,;-2.67,-.47,;-2.67,1.07,;-1.33,1.84,;-1.33,3.38,;,1.07,;1.33,1.84,;1.33,4.32,;2.67,5.09,;4,4.32,;2.67,6.63,;1.33,7.4,;,6.63,;,5.09,;-1.33,4.32,)|
Cc1cc(=O)c2c(OCC3COC3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.88,2.24,;2.55,1.47,;2.55,-.07,;1.21,-.84,;1.21,-2.38,;-.12,-.07,;-1.46,-.84,;-1.46,-2.38,;-2.79,-3.15,;-2.79,-4.69,;-3.88,-5.78,;-2.79,-6.86,;-1.7,-5.78,;-2.79,-.07,;-2.79,1.47,;-1.46,2.24,;-1.46,3.78,;-.12,1.47,;1.21,2.24,;1.21,3.78,;-.12,4.55,;-1.46,5.32,;-.12,6.09,;1.21,6.86,;2.55,6.09,;2.55,4.55,;3.88,3.78,)|
CS(=O)(=O)CCNc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.21,-6.7,;-4.12,-5.62,;-5.21,-4.53,;-3.03,-6.7,;-2.79,-4.85,;-2.79,-3.31,;-1.46,-2.54,;-1.46,-1,;-2.79,-.23,;-2.79,1.31,;-1.46,2.08,;-1.46,3.62,;-.12,1.31,;1.21,2.08,;2.55,1.31,;3.88,2.08,;5.21,1.31,;2.55,-.23,;1.21,-1,;1.21,-2.54,;-.12,-.23,;1.21,3.62,;-.12,4.39,;-1.46,5.16,;-.12,5.93,;1.21,6.7,;2.55,5.93,;2.55,4.39,;3.88,3.62,)|
Cc1cc(=O)c2c(OCC(O)CO)ncc(C3CC3)c2n1-c1c(Cl)cccc1Cl |(4,1.13,;2.67,.36,;2.67,-1.18,;1.33,-1.95,;1.33,-3.49,;,-1.18,;-1.33,-1.95,;-1.33,-3.49,;-2.67,-4.26,;-2.67,-5.8,;-4,-6.57,;-1.33,-6.57,;-1.73,-8.06,;-2.67,-1.18,;-2.67,.36,;-1.33,1.13,;-1.33,2.67,;-.56,4,;-2.1,4,;,.36,;1.33,1.13,;1.33,4.98,;,5.75,;-1.33,4.98,;,7.29,;1.33,8.06,;2.67,7.29,;2.67,5.75,;4,4.98,)|
COCc1cc(=O)c2c(OCC(CO)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-2,-6.16,;-.67,-5.39,;-4.67,-6.16,;-6,-5.39,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-2,3.08,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-2,4.62,;-.67,5.39,;.67,6.16,;2,5.39,;2,3.85,;3.33,3.08,)|
COCc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;,-3.08,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-4,-5.39,;-5.33,-6.16,;-2.67,-6.16,;-1.33,-5.39,;-4,-.77,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,4.62,;-1.33,5.39,;,6.16,;1.33,5.39,;1.33,3.85,;2.67,3.08,)|
OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C1CC1)-c1c(Cl)cccc1C#N |(-.87,-5.39,;-2.21,-6.16,;-3.54,-5.39,;-4.87,-6.16,;-3.54,-3.85,;-2.21,-3.08,;-2.21,-1.54,;-3.54,-.77,;-3.54,.77,;-2.21,1.54,;-2.21,3.08,;-.87,.77,;.46,1.54,;1.79,.77,;1.79,-.77,;.46,-1.54,;.46,-3.08,;-.87,-.77,;3.13,1.54,;4.46,.77,;4.46,2.31,;.46,3.08,;-.87,3.85,;-2.21,4.62,;-.87,5.39,;.46,6.16,;1.79,5.39,;1.84,3.82,;3.18,3.05,;4.97,1.82,)|
Cc1cc(=O)c2c(NCCc3c[nH]cn3)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(3.33,1.01,;2,.24,;2,-1.3,;.67,-2.07,;.67,-3.61,;-.67,-1.3,;-2,-2.07,;-2,-3.61,;-.67,-4.38,;-.67,-5.92,;.67,-6.69,;2.13,-6.22,;3.04,-7.46,;2.13,-8.71,;.67,-8.23,;-3.33,-1.3,;-3.33,.24,;-2,1.01,;-.67,.24,;.67,1.01,;.67,2.55,;2,3.32,;3.33,2.55,;2,4.86,;.67,5.68,;-.67,4.86,;-.67,3.32,;-2,2.55,;.67,7.22,;.67,8.76,)|
CC1(C)OCC(COc2ncc(Cl)c3n(c(CO)cc(=O)c23)-c2c(Cl)cccc2Cl)O1 |(-2.21,-8.21,;-2.61,-6.72,;-1.12,-7.12,;-4.15,-6.72,;-4.62,-5.26,;-3.38,-4.35,;-3.38,-2.81,;-2.04,-2.04,;-2.04,-.5,;-3.38,.27,;-3.38,1.81,;-2.04,2.58,;-2.04,4.12,;-.71,1.81,;.62,2.58,;1.96,1.81,;3.29,2.58,;4.62,1.81,;1.96,.27,;.62,-.5,;.62,-2.04,;-.71,.27,;.62,5.13,;-.71,5.9,;-2.04,5.13,;-.71,7.44,;.62,8.21,;1.96,7.44,;1.96,5.9,;3.29,5.13,;-2.13,-5.26,)|
Cc1cc(=O)c2c(OC[C@H](O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wU:9.9,(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
Cc1cc(=O)c2c(OC[C@@H](O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wD:9.9,(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
OCC(O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cc(F)cc1Cl |(-5.68,-3.54,;-4.14,-3.54,;-3.66,-5,;-4.99,-5.78,;-2.33,-5.78,;-.99,-5,;-.99,-3.47,;-2.33,-2.69,;-2.33,-1.15,;-.99,-.38,;-2.33,.38,;.34,-1.15,;1.67,-.38,;3.01,-1.15,;4.34,-.38,;5.68,-1.15,;3.01,-2.69,;1.67,-3.47,;1.67,-5,;.34,-2.69,;1.67,1.15,;.34,1.93,;-1.2,1.93,;.34,3.47,;1.67,4.23,;1.67,5.78,;3.01,3.47,;3.01,1.93,;4.34,1.15,)|
OCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cc(F)cc1Cl |(-5.33,-5.78,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;-2.67,.38,;,-1.15,;1.33,-.38,;2.67,-1.15,;4,-.38,;5.33,-1.15,;2.67,-2.69,;1.33,-3.47,;1.33,-5,;,-2.69,;1.33,1.15,;,1.93,;-1.54,1.93,;,3.47,;1.33,4.23,;1.33,5.78,;2.67,3.47,;2.67,1.93,;4,1.15,)|
OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C(F)F)-c1c(Cl)cccc1Cl |(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;3.33,1.92,;4.67,1.15,;4.1,3.25,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C#N)-c1c(Cl)cccc1Cl |(-4.67,-7.29,;-4.67,-5.75,;-3.33,-4.98,;-2,-5.75,;-3.33,-3.44,;-2,-2.67,;-2,-1.13,;-3.33,-.36,;-3.33,1.18,;-2,1.95,;-2,3.49,;-.67,1.18,;.67,1.95,;2,1.18,;2,-.36,;.67,-1.13,;.67,-2.67,;-.67,-.36,;3.33,1.95,;4.67,2.72,;.67,4.21,;-.67,4.98,;-2,4.21,;-.67,6.52,;.67,7.29,;2,6.52,;2,4.98,;3.33,4.21,)|
OCc1cc(=O)c2c(O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,-1.34,;2.67,-.57,;1.33,-1.34,;1.33,-2.88,;,-3.65,;,-5.19,;-1.33,-2.88,;-2.67,-3.65,;-2.67,-5.19,;-4,-2.88,;-4,-1.34,;-2.67,-.57,;-2.67,.97,;-1.33,-1.34,;,-.57,;,2.11,;1.33,2.88,;2.67,2.11,;1.33,4.42,;,5.19,;-1.33,4.42,;-1.33,2.88,;-2.67,2.11,)|
CNc1cc2n(c(C)cc(=O)c2c(OCC(O)CO)n1)-c1c(Cl)cccc1Cl |(-4.67,1.44,;-3.33,2.21,;-2,1.44,;-.67,2.21,;.67,1.44,;2,2.21,;3.33,1.44,;4.67,2.21,;3.33,-.1,;2,-.87,;2,-2.41,;.67,-.1,;-.67,-.87,;-.67,-2.41,;-2,-3.18,;-2,-4.72,;-.67,-5.49,;-3.33,-5.49,;-3.33,-7.03,;-2,-.1,;2,3.95,;3.33,4.72,;4.67,3.95,;3.33,6.26,;2,7.03,;.67,6.26,;.67,4.72,;-.67,3.95,)|
CCc1cc2n(c(C)cc(=O)c2c(OC[C@@H](O)CO)n1)-c1c(Cl)cccc1Cl |r,wU:15.16,(-10.12,9.44,;-8.79,10.21,;-7.45,9.44,;-6.12,10.21,;-4.79,9.44,;-3.45,10.21,;-2.12,9.44,;-.79,10.21,;-2.12,7.9,;-3.45,7.13,;-3.45,5.59,;-4.79,7.9,;-6.12,7.13,;-6.12,5.59,;-7.45,4.82,;-7.45,3.28,;-6.12,2.51,;-8.79,2.51,;-8.79,.97,;-7.45,7.9,;-3.45,11.95,;-2.12,12.72,;-.79,11.95,;-2.12,14.26,;-3.45,15.03,;-4.79,14.26,;-4.79,12.72,;-6.12,11.95,)|
CCc1cc2n(c(C)cc(=O)c2c(OC[C@H](O)CO)n1)-c1c(Cl)cccc1Cl |r,wD:15.16,(-10.12,9.44,;-8.79,10.21,;-7.45,9.44,;-6.12,10.21,;-4.79,9.44,;-3.45,10.21,;-2.12,9.44,;-.79,10.21,;-2.12,7.9,;-3.45,7.13,;-3.45,5.59,;-4.79,7.9,;-6.12,7.13,;-6.12,5.59,;-7.45,4.82,;-7.45,3.28,;-6.12,2.51,;-8.79,2.51,;-8.79,.97,;-7.45,7.9,;-3.45,11.95,;-2.12,12.72,;-.79,11.95,;-2.12,14.26,;-3.45,15.03,;-4.79,14.26,;-4.79,12.72,;-6.12,11.95,)|
COc1cc2n(c(C)cc(=O)c2c(OCC(O)CO)n1)-c1c(Cl)cccc1Cl |(-4,3.75,;-4,2.21,;-2.67,1.44,;-1.33,2.21,;,1.44,;1.33,2.21,;2.67,1.44,;4,2.21,;2.67,-.1,;1.33,-.87,;1.33,-2.41,;,-.1,;-1.33,-.87,;-1.33,-2.41,;-2.67,-3.18,;-2.67,-4.72,;-1.33,-5.49,;-4,-5.49,;-4,-7.03,;-2.67,-.1,;1.33,3.95,;2.67,4.72,;4,3.95,;2.67,6.26,;1.33,7.03,;,6.26,;,4.72,;-1.33,3.95,)|
CCc1cnc(OCC(O)CO)c2c1n(c(C)cc2=O)-c1c(Cl)cccc1Cl |(-2.71,3.88,;-1.38,3.11,;-1.38,1.57,;-2.71,.8,;-2.71,-.74,;-1.38,-1.51,;-1.38,-3.05,;-2.71,-3.82,;-2.71,-5.36,;-3.96,-6.26,;-1.47,-6.26,;-1.94,-7.73,;-.04,-.74,;-.04,.8,;1.29,1.57,;2.62,.8,;3.96,1.57,;2.62,-.74,;1.29,-1.51,;1.29,-3.05,;1.29,4.65,;2.62,5.42,;3.96,4.65,;2.62,6.96,;1.29,7.73,;-.04,6.96,;-.04,5.42,;-1.38,4.65,)|
Cc1cc(=O)c2c(NS(=O)(=O)c3cn[nH]c3)cncc2n1-c1c(Cl)cc(cc1Cl)C#N |(5.22,-.44,;3.89,-1.21,;3.89,-2.75,;2.55,-3.52,;2.55,-5.06,;1.22,-2.75,;-.11,-3.52,;-.11,-5.06,;-1.45,-5.83,;-1.45,-7.37,;-.11,-6.6,;-2.78,-5.06,;-2.94,-3.53,;-4.45,-3.21,;-5.22,-4.55,;-4.19,-5.69,;-1.45,-2.75,;-1.45,-1.21,;-.11,-.44,;1.22,-1.21,;2.55,-.44,;2.55,1.21,;3.89,1.98,;5.22,1.21,;3.89,3.52,;2.55,4.35,;1.22,3.52,;1.22,1.98,;-.11,1.21,;2.55,5.89,;2.55,7.43,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)-n1cncn1 |(3.4,.64,;2.07,-.13,;2.07,-1.67,;.73,-2.44,;.73,-3.98,;-.6,-1.67,;-1.93,-2.44,;-3.27,-1.67,;-3.27,-.13,;-1.93,.64,;-1.93,2.18,;-.6,-.13,;.73,.64,;.73,3.39,;2.07,4.16,;3.4,3.39,;2.07,5.7,;.73,6.47,;-.6,5.7,;-.6,4.16,;-1.93,3.39,;-1.93,-3.98,;-3.4,-4.46,;-3.4,-6,;-1.93,-6.47,;-1.03,-5.23,)|
Cc1cc(=O)c2c(cncc2n1-c1c(Cl)cc(cc1Cl)C#N)-c1cc[nH]n1 |(3.33,-.45,;2,-1.22,;2,-2.76,;.67,-3.53,;.67,-5.07,;-.67,-2.76,;-2,-3.53,;-3.33,-2.76,;-3.33,-1.22,;-2,-.45,;-.67,-1.22,;.67,-.45,;.67,1.28,;2,2.05,;3.33,1.28,;2,3.59,;.67,4.42,;-.67,3.59,;-.67,2.05,;-2,1.28,;.67,5.96,;.67,7.5,;-2,-5.07,;-.75,-5.98,;-1.23,-7.44,;-2.77,-7.44,;-3.25,-5.98,)|
Cc1cc(=O)c2c(cncc2n1-c1c(Cl)cc(cc1Cl)C#N)-c1cnn(C)c1 |(3.51,.17,;2.17,-.6,;2.17,-2.14,;.84,-2.91,;.84,-4.45,;-.5,-2.14,;-1.83,-2.91,;-3.16,-2.14,;-3.16,-.6,;-1.83,.17,;-.5,-.6,;.84,.17,;.84,1.91,;2.17,2.68,;3.51,1.91,;2.17,4.22,;.84,5.04,;-.5,4.22,;-.5,2.68,;-1.83,1.91,;.84,6.58,;.84,8.12,;-1.83,-4.45,;-.58,-5.36,;-1.06,-6.82,;-2.6,-6.82,;-3.51,-8.07,;-3.08,-5.36,)|
OCCCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-4.67,-6.26,;-3.33,-5.49,;-3.33,-3.95,;-2,-3.18,;-2,-1.64,;-3.33,-.87,;-3.33,.67,;-2,1.44,;-3.49,1.84,;-.67,.67,;.67,1.44,;2,.67,;3.33,1.44,;4.67,.67,;2,-.87,;.67,-1.64,;.67,-3.18,;-.67,-.87,;.67,3.18,;2,3.95,;3.33,3.18,;2,5.49,;.67,6.26,;-.67,5.49,;-.67,3.95,;-2,3.18,)|
OCC(O)CCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-1.33,-6.16,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;1.33,1.54,;2.67,.77,;4,1.54,;5.33,.77,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;,-.77,;1.33,3.08,;2.67,3.85,;4,3.08,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;-1.33,4.62,)|
OC[C@H](O)CCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-1.33,-6.16,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;1.33,1.54,;2.67,.77,;4,1.54,;5.33,.77,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;,-.77,;1.33,3.08,;2.67,3.85,;4,3.08,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;-1.33,4.62,)|
OC[C@@H](O)CCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-5.33,-5.39,;-4,-6.16,;-2.67,-5.39,;-1.33,-6.16,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;1.33,1.54,;2.67,.77,;4,1.54,;5.33,.77,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;,-.77,;1.33,3.08,;2.67,3.85,;4,3.08,;2.67,5.39,;1.33,6.16,;,5.39,;,3.85,;-1.33,4.62,)|
OCC(O)Cc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-4.67,-6.52,;-3.33,-5.75,;-3.33,-4.21,;-4.67,-3.44,;-2,-3.44,;-2,-1.9,;-3.33,-1.13,;-3.33,.41,;-2,1.18,;-2,2.72,;-.67,.41,;.67,1.18,;2,.41,;3.33,1.18,;4.67,.41,;2,-1.13,;.67,-1.9,;.67,-3.44,;-.67,-1.13,;.67,3.44,;2,4.21,;3.33,3.44,;2,5.75,;.67,6.52,;-.67,5.75,;-.67,4.21,;-2,3.44,)|
OC[C@@H](O)Cc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.67,-6.52,;-3.33,-5.75,;-3.33,-4.21,;-4.67,-3.44,;-2,-3.44,;-2,-1.9,;-3.33,-1.13,;-3.33,.41,;-2,1.18,;-2,2.72,;-.67,.41,;.67,1.18,;2,.41,;3.33,1.18,;4.67,.41,;2,-1.13,;.67,-1.9,;.67,-3.44,;-.67,-1.13,;.67,3.44,;2,4.21,;3.33,3.44,;2,5.75,;.67,6.52,;-.67,5.75,;-.67,4.21,;-2,3.44,)|
OC[C@H](O)Cc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-4.67,-6.52,;-3.33,-5.75,;-3.33,-4.21,;-4.67,-3.44,;-2,-3.44,;-2,-1.9,;-3.33,-1.13,;-3.33,.41,;-2,1.18,;-2,2.72,;-.67,.41,;.67,1.18,;2,.41,;3.33,1.18,;4.67,.41,;2,-1.13,;.67,-1.9,;.67,-3.44,;-.67,-1.13,;.67,3.44,;2,4.21,;3.33,3.44,;2,5.75,;.67,6.52,;-.67,5.75,;-.67,4.21,;-2,3.44,)|
Cc1cc(=O)c2c(CC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.18,;2.67,.41,;2.67,-1.13,;1.33,-1.9,;1.33,-3.44,;,-1.13,;-1.33,-1.9,;-1.33,-3.44,;-2.67,-4.21,;-4,-3.44,;-2.67,-5.75,;-4,-6.52,;-2.67,-1.13,;-2.67,.41,;-1.33,1.18,;-1.33,2.72,;,.41,;1.33,1.18,;1.33,3.44,;2.67,4.21,;4,3.44,;2.67,5.75,;1.33,6.52,;,5.75,;,4.21,;-1.33,3.44,)|
OCC(O)c1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-1.33,-6.14,;-1.33,-4.6,;-2.67,-3.83,;-4,-4.6,;-2.67,-2.29,;-4,-1.52,;-4,.02,;-2.67,.79,;-2.67,2.33,;-1.33,.02,;,.79,;1.33,.02,;2.67,.79,;4,.02,;1.33,-1.52,;,-2.29,;,-3.83,;-1.33,-1.52,;,3.06,;1.33,3.83,;2.67,3.06,;1.33,5.37,;,6.14,;-1.33,5.37,;-1.33,3.83,;-2.67,3.06,)|
OC[C@@H](O)c1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-1.33,-6.14,;-1.33,-4.6,;-2.67,-3.83,;-4,-4.6,;-2.67,-2.29,;-4,-1.52,;-4,.02,;-2.67,.79,;-2.67,2.33,;-1.33,.02,;,.79,;1.33,.02,;2.67,.79,;4,.02,;1.33,-1.52,;,-2.29,;,-3.83,;-1.33,-1.52,;,3.06,;1.33,3.83,;2.67,3.06,;1.33,5.37,;,6.14,;-1.33,5.37,;-1.33,3.83,;-2.67,3.06,)|
OC[C@H](O)c1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-1.33,-6.14,;-1.33,-4.6,;-2.67,-3.83,;-4,-4.6,;-2.67,-2.29,;-4,-1.52,;-4,.02,;-2.67,.79,;-2.67,2.33,;-1.33,.02,;,.79,;1.33,.02,;2.67,.79,;4,.02,;1.33,-1.52,;,-2.29,;,-3.83,;-1.33,-1.52,;,3.06,;1.33,3.83,;2.67,3.06,;1.33,5.37,;,6.14,;-1.33,5.37,;-1.33,3.83,;-2.67,3.06,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(O)CO |(3.33,.79,;2,.02,;2,-1.52,;.67,-2.29,;.67,-3.83,;-.67,-1.52,;-2,-2.29,;-3.33,-1.52,;-3.33,.02,;-2,.79,;-2,2.33,;-.67,.02,;.67,.79,;.67,3.06,;2,3.83,;3.33,3.06,;2,5.37,;.67,6.14,;-.67,5.37,;-.67,3.83,;-2,3.06,;-2,-3.83,;-3.33,-4.6,;-.67,-4.6,;-.67,-6.14,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(=O)CO |(3.33,.79,;2,.02,;2,-1.52,;.67,-2.29,;.67,-3.83,;-.67,-1.52,;-2,-2.29,;-3.33,-1.52,;-3.33,.02,;-2,.79,;-2,2.33,;-.67,.02,;.67,.79,;.67,3.06,;2,3.83,;3.33,3.06,;2,5.37,;.67,6.14,;-.67,5.37,;-.67,3.83,;-2,3.06,;-2,-3.83,;-3.33,-4.6,;-.67,-4.6,;-.67,-6.14,)|
OCC(O)COCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-7.68,;-4,-6.91,;-4,-5.37,;-5.33,-4.6,;-2.67,-4.6,;-2.67,-3.06,;-1.33,-2.29,;-1.33,-.75,;-2.67,.02,;-2.67,1.56,;-1.33,2.33,;-1.33,3.87,;,1.56,;1.33,2.33,;2.67,1.56,;4,2.33,;5.33,1.56,;2.67,.02,;1.33,-.75,;1.33,-2.29,;,.02,;1.33,4.6,;2.67,5.37,;4,4.6,;2.67,6.91,;1.33,7.68,;,6.91,;,5.37,;-1.33,4.6,)|
OCC(CO)OCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-2,-7.29,;-2,-5.75,;-3.33,-4.98,;-4.67,-5.75,;-4.67,-7.29,;-3.33,-3.44,;-2,-2.67,;-2,-1.13,;-3.33,-.36,;-3.33,1.18,;-2,1.95,;-2,3.49,;-.67,1.18,;.67,1.95,;2,1.18,;3.33,1.95,;4.67,1.18,;2,-.36,;.67,-1.13,;.67,-2.67,;-.67,-.36,;.67,4.21,;-.67,4.98,;-2,4.21,;-.67,6.52,;.67,7.29,;2,6.52,;2,4.98,;3.33,4.21,)|
Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(C)(O)C(=O)CO |(4.67,.79,;3.33,.02,;3.33,-1.52,;2,-2.29,;2,-3.83,;.67,-1.52,;-.67,-2.29,;-2,-1.52,;-2,.02,;-.67,.79,;-.67,2.33,;.67,.02,;2,.79,;2,3.06,;.67,3.83,;-.67,3.06,;.67,5.37,;2,6.14,;3.33,5.37,;3.33,3.83,;4.67,3.06,;-.67,-3.83,;.42,-2.74,;.1,-5.16,;-2,-4.6,;-2,-6.14,;-3.33,-3.83,;-4.67,-4.6,)|
Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#CC(C)(C)N |(3.33,-1.07,;2,-1.84,;2,-3.38,;.67,-4.15,;.67,-5.69,;-.67,-3.38,;-2,-4.15,;-2,-5.69,;-.67,-6.46,;-.67,-8,;.67,-8.77,;-1.76,-9.09,;-.99,-10.43,;-3.33,-3.38,;-3.33,-1.84,;-2,-1.07,;-2,.47,;-.67,-1.84,;.67,-1.07,;.67,1.19,;-.67,1.96,;-2,2.73,;-.67,3.5,;.67,4.27,;2,3.5,;2,1.96,;3.33,1.19,;.67,5.81,;.67,7.35,;.67,8.89,;2,9.66,;-.67,9.66,;.67,10.43,)|
Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#CCN1CCOCC1 |(2.67,-2.67,;1.33,-3.44,;1.33,-4.98,;,-5.75,;,-7.29,;-1.33,-4.98,;-2.67,-5.75,;-2.67,-7.29,;-1.33,-8.06,;-1.33,-9.6,;,-10.37,;-4,-4.98,;-4,-3.44,;-2.67,-2.67,;-2.67,-1.13,;-1.33,-3.44,;,-2.67,;,-.41,;-1.33,.36,;-2.67,1.13,;-1.33,1.9,;,2.67,;1.33,1.9,;1.33,.36,;2.67,-.41,;,4.21,;,5.75,;,7.29,;1.33,8.06,;2.67,7.29,;4,8.06,;4,9.6,;2.67,10.37,;1.33,9.6,)|
Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#CCN1CCS(=O)(=O)CC1 |(2,-3.03,;.67,-3.8,;.67,-5.34,;-.67,-6.11,;-.67,-7.65,;-2,-5.34,;-3.33,-6.11,;-3.33,-7.65,;-2,-8.42,;-2,-9.96,;-.67,-10.73,;-4.67,-5.34,;-4.67,-3.8,;-3.33,-3.03,;-3.33,-1.49,;-2,-3.8,;-.67,-3.03,;-.67,-.77,;-2,0,;-3.33,.77,;-2,1.54,;-.67,2.31,;.67,1.54,;.67,0,;2,-.77,;-.67,3.85,;-.67,5.39,;-.67,6.93,;.67,7.7,;2,6.93,;3.33,7.7,;3.33,9.24,;3.73,10.73,;4.67,8.47,;2,10.01,;.67,9.24,)|
CN(C)CC#Cc1cc(Cl)c(c(Cl)c1)-n1c(C)cc(=O)c2c(OCC3COC(C)(C)O3)ncc(Cl)c12 |(3.33,9.02,;2,9.79,;2,11.33,;.67,9.02,;.67,7.48,;.67,5.94,;.67,4.4,;-.67,3.63,;-.67,2.09,;-2,2.86,;.67,1.32,;2,2.09,;3.33,1.32,;2,3.63,;.67,-.94,;2,-1.71,;3.33,-.94,;2,-3.25,;.67,-4.02,;.67,-5.56,;-.67,-3.25,;-2,-4.02,;-2,-5.56,;-.67,-6.33,;-.67,-7.87,;-1.76,-8.96,;-.81,-10.29,;.96,-9.84,;2.5,-9.84,;1.36,-11.33,;.71,-8.57,;-3.33,-3.25,;-3.33,-1.71,;-2,-.94,;-2,.6,;-.67,-1.71,)|
CNC(=O)CCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(-2,-10.04,;-3.33,-9.27,;-3.33,-7.73,;-4.67,-6.96,;-2,-6.96,;-2,-5.42,;-.67,-4.65,;-.67,-3.11,;-2,-2.34,;-2,-.8,;-.67,-.03,;-.67,1.51,;.67,-.8,;2,-.03,;3.33,-.8,;4.67,-.03,;3.33,-2.34,;2,-3.11,;2,-4.65,;.67,-2.34,;2,2.34,;.67,3.11,;-.67,2.34,;.67,4.65,;2,5.42,;2,6.96,;3.33,7.73,;3.33,9.27,;4.67,10.04,;3.33,4.65,;3.33,3.11,;4.67,2.34,)|
Cc1cc(=O)c2c(OCC(=O)NCCO)ncc(Cl)c2n1-c1c(Cl)cc(OCCO)cc1Cl |(3.33,1.9,;2,1.13,;2,-.41,;.67,-1.18,;.67,-2.72,;-.67,-.41,;-2,-1.18,;-2,-2.72,;-3.33,-3.49,;-3.33,-5.03,;-2,-5.8,;-4.67,-5.8,;-4.67,-7.34,;-3.33,-8.11,;-3.33,-9.65,;-3.33,-.41,;-3.33,1.13,;-2,1.9,;-2,3.44,;-.67,1.13,;.67,1.9,;.67,4.26,;-.67,5.03,;-2,4.26,;-.67,6.57,;.67,7.34,;.67,8.88,;2,9.65,;3.33,8.88,;4.67,9.65,;2,6.57,;2,5.03,;3.33,4.26,)|
CNC(=O)CCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCC(C)(C)O)cc1Cl |(-4.67,-10.42,;-3.33,-9.65,;-3.33,-8.11,;-4.67,-7.34,;-2,-7.34,;-2,-5.8,;-.67,-5.03,;-.67,-3.49,;-2,-2.72,;-2,-1.18,;-.67,-.41,;-.67,1.13,;.67,-1.18,;2,-.41,;3.33,-1.18,;4.67,-.41,;3.33,-2.72,;2,-3.49,;2,-5.03,;.67,-2.72,;2,1.95,;.67,2.72,;-.67,1.95,;.67,4.26,;2,5.03,;2,6.57,;3.33,7.34,;3.33,8.88,;2,9.65,;3.33,10.42,;4.67,9.65,;3.33,4.26,;3.33,2.72,;4.67,1.95,)|
CNC(=O)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCC(C)(C)O)cc1Cl |(2,-8.5,;.67,-9.27,;-.67,-8.5,;-2,-9.27,;-.67,-6.96,;-2,-6.19,;-2,-4.65,;-3.33,-3.88,;-3.33,-2.34,;-2,-1.57,;-2,-.03,;-.67,-2.34,;.67,-1.57,;2,-2.34,;3.33,-1.57,;2,-3.88,;.67,
CNC(=O)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(2,-8.11,;.67,-8.88,;
CNC(=O)CCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OC[C@@H](C)O)cc1Cl |r,wD:27.30,(-5.33,-8.11,;-4,-7.34,;-2.67,-8.11,;-2.67,-9.65,;-1.33,-7.34,;-1.33,-5.8,;,-5.03,;,-3.49,;-1.33,-2.72,;-1.33,-1.18,;,-.41,;,1.13,;1.33,-1.18,;2.67,-.41,;4,-1.18,;5.33,-.41,;4,-2.72,;2.67,-3.49,;2.67,-5.03,;1.33,-2.72,;2.67,1.95,;1.33,2.72,;
CNC(=O)[C@H](C)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |r,wU:4.4,(-4.67,-10.04,;-3.33,-9.27,;-3.33,-7.73,;-4.67,-6.96,;-2,-6.96,;-.67,-7.73,;-2,-5.42,;-.67,-4.65,;-.67,-3.11,;-2,-2.34,;-2,-.8,;-.67,-.03,;-.67,1.51,;.67,-.8,;2,-.03,;3.33,-.8,;4.67,-.03,;3.33,-2.34,;2,-3.11,;2,-4.65,;.67,-2.34,;2,2.34,;.67,3.11,;-.67,2.34,;.67,4.65,;2,5.42,;2,6.96,;3.33,7.73,;3.33,9.27,;4.67,10.04,;3.33,4.65,;3.33,3.11,;4.67,2.34,)|
CNC(=O)[C@@H](C)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |r,wD:4.4,(-4.67,-10.04,;-3.33,-9.27,;-3.33,-7.73,;-4.67,-6.96,;-2,-6.96,;-.67,-7.73,;-2,-5.42,;-.67,-4.65,;-.67,-3.11,;-2,-2.34,;-2,-.8,;-.67,-.03,;-.67,1.51,;.67,-.8,;2,-.03,;3.33,-.8,;4.67,-.03,;3.33,-2.34,;2,-3.11,;2,-4.65,;.67,-2.34,;2,2.34,;.67,3.
CC(=O)NCCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(-2,-10.04,;-3.33,-9.27,;-4.67,-10.04,;-3.33,-7.73,;-2,-6.96,;-2,-5.42,;-.67,-4.65,;-.67,-3.11,;-2,-2.34,;-2,-.8,;-.67,-.03,;-.67,1.51,;.67,-.8,;2,-.03,;3.33,-.8,;4.67,-.03,;3.33,-2.34,;2,-3.11,;2,-4.65,;.67,-2.34,;2,2.34,;.67,3.11,;-.67,2.34,;.67,4.65,;2,5.42,;2,6.96,;.67,7.73,;.67,9.27,;-.67,10.04,;3.33,4.65,;3.33,3.11,;4.67,2.34,)|
CNC(=O)CCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OC[C@H](C)O)cc1Cl |r,wU:27.30,(-4.42,-10.15,;-3.33,-9.06,;-3.33,-7.52,;-4.67,-6.75,;-2,-6.75,;-2,-5.21,;-.67,-4.44,;-.67,-2.9,;-2,-2.13,;-2,-.59,;-.67,.18,;-.67,1.72,;.67,-.59,;2,.18,;3.33,-.59,;4.67,.18,;3.33,-2.13,;2,-2.9,;2,-4.44,;.67,-2.13,;2,2.45,;3.33,3.22,;4.67,2.45,;3.33,4.76,;2,5.53,;2,7.07,;.67,7.84,;.67,9.38,;2,10.15,;-.67,10.15,;.67,4.76,;.67,3.22,;-.67,2.45,)|
CNC(=O)C(C)(C)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(-4.42,-10.15,;-3.33,-9.06,;-3.33,-7.52,;-4.67,-6.75,;-2,-6.75,;-1.6,-8.23,;-.51,-7.15,;-2,-5.21,;-.67,-4.44,;-.67,-2.9,;-2,-2.13,;-2,-.59,;-.67,.18,;-.67,1.72,;.67,-.59,;2,.18,;3.33,-.59,;4.67,.18,;3.33,-2.13,;2,-2.9,;2,-4.44,;.67,-2.13,;2,2.45,;3.33,3.22,;4.67,2.45,;3.33,4.76,;2,5.53,;2,7.07,;3.33,7.84,;3.33,9.38,;4.67,10.15,;.67,4.76,;.67,3.22,;-.67,2.45,)|
CNC(=O)[C@H](O)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |r,wU:4.4,(-2,-9.99,;-3.33,-9.22,;-3.33,-7.68,;-4.67,-6.91,;-2,-6.91,;-.67,-7.68,;-2,-5.37,;-.
CNC(=O)[C@@H](O)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |r,wD:4.4,(-5.33,-8.83,;-4,-8.06,;-4,-6.52,;-5.33,-5.75,;-2.67,-5.75,;-1.33,-6.52,;-2.67,-4.21,;-1.33,-3.44,;-1.33,-1.9,;-2.67,-1.13,;-2.67,.41,;-1.33,1.18,;-1.33,2.72,;,.41
CNC(=O)[C@@H](O)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCC(C)(C)O)cc1Cl |r,wD:4.4,(-2,-10.37,;-3.33,-9.6,;-3.33,-8.06,;-4.67,-7.29,;-2,-7.29,;-.67,-8.06,;-2,-5.75,;-.67,-4.98,;-.67,-3.44,;-2,-2.67,;-2,-1.13,;-.67,-.36,;-.67,1.18,;.67,-1.13,;2,-.36,;3.33,-1.13,;4.67,-.36,;3.33,-2.67,;2,-3.44,;2,-4.98,;.67,-2.67,;2,1.9,
CNC(=O)CCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCC2(O)COC2)cc1Cl |(-2,-10.34,;-3.33,-9.57,;-3.33,-8.03,;-4.67,-7.26,;-2,-7.26,;-2,-5.72,;-.67,-4.95,;-.67,-3.41,;-2,-2.64,;-2,-1.1,;-.67,-.33,;-.67,1.21,;.67,-1.1,;2,-.33,;3.33,-1.1,;4.67,-.33,;3.33,-2.64,;2,-3.41,;2,-4.95,;.67,-2.64,;2,1.93,;3.33,2.7,;4.67,1.93,;3.33,4.24,;2,5.01,;2,6.55,;3.33,7.32,;3.33,8.86,;4.67,9.63,;2.94,10.34,;1.45,9.95,;1.85
CNC(=O)C(F)(F)COc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(-2,-9.99,;-3.33,-9.22,;-3.33,-7.68,;-4.67,-6.91,;-2,-6.91,;-.67,-6.14,;-.67,-7.68,;-2,-5.37,;-.67,-4.6,;-.67,-3.06,;-2,-2.29,;-2,-.75,;-.67,.02,;-.67,1.56,;.67,-.75,;2,.02,;3.33,-.75,;4.67,.02,;3.33,-2.29,;2,-3.06,;2,-4.6,;.67,-2.29,;2,2.29,;3.33,3.06,;4.67,2.29,;3.33,4.6,;2,5.37,;2,6.91,;.67,7.68,;.67,9.22,;-.67,9.99,;.67,4.6,;.67,3.06,;-.67,2.29,)|
CNC(=O)COc1cc(Cl)c(c(Cl)c1)-n1c(C)cc(=O)c2c(OCC(N)=O)ncc(Cl)c12 |(,8.06,;1.33,8.83,;2.67,8.06,;4,8.83,;2.67,6.52,;1.33,5.75,;1.33,4.21,;2.67,3.44,;2.67,1.9,;4,1.13,;1.33,1.13,;,1.9,;-1.33,1.13,;,3.44,;1.33,-1.13,;2.67,-1.9,;4,-1.13,;2.67,-3.44,;1.33,-4.21,;1.33,-5.75,;,-3.44,;-1.33,-4.21,;-1.33,-5.75,;-2.67,-6.52,;-2.67,-8.06,;-1.33,-8.83,;-4,-8.83,;-2.67,-3.44,;-2.67,-1.9,;-1.33,-1.13,;-1.33,.41,;,-1.9,)|
Cc1cc(=O)c2c(OCCC(N)=O)ncc(Cl)c2n1-c1c(Cl)cc(OCCO)cc1Cl |(3.33,-.36,;2,-1.13,;2,
CC(=O)NCCCc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl |(-4.67,-9.99,;-3.33,-9.22,;-2,-9.99,;-3.33,-7.68,;-2,-6.91,;-2,-5.37,;-.67,-4.6,;-.67,-3.06,;-2,-2.29,;-2,-.75,;-.67,.02,;-.67,1.56,;.67,-.75,;2,.02,;3.33,-.75,;4.67,.02,;3.33,-2.2
Cc1cc(=O)c2c(CCS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cc(OCCO)cc1Cl |(3.33,-.75,;2,-1.52,;2,-3.06,;.67,-3.83,;.67,-5.37,;-.67,-3.06,;-2,-3.83,;-2,-5.37,;-.67,-6.14,;-.67,-7.68,;-2.21,-7.68,;.87,-7.68,;-.67,-9.22,;-3.33,-3.06,;-3.33,-1.52,;-2,-.75,;-2,.79,;-.67,-1.52,;.67,-.75,;.67,1.52,;2,2.29,;3.33,1.52,;2,3.83,;.67,4.6,;.67,6.14,;-.67,6.91,;-.67,8.45,;-2,9.22,;-.67,3.83,;-.67,2.29,;-2,1.52,)|
CC(Cc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cc(OCCO)cc1Cl)S(C)(=O)=O |(-3.9,-5.37,;-2.56,-6.14,;-1.23,-5.37,;-1.23,-3.83,;-2.56,-3.06,;-2.56,-1.52,;-1.23,-.75,;-1.23,.79,;.1,-1.52,;1.44,-.75,;2.77,-1.52,;4.1,-.75,;2.77,-3.06,;1.44,-3.83,;1.44,-5.37,;.1,-3.06,;1.44,1.52,;2.77,2.29,;4.1,1.52,;2.77,3.83,;1.44,4.6,;1.44,6.14,;.1,6.91,;.1,8.45,;-1.23,9.22,;.1,3.83,;.1,2.29,;-1.23,1.52,;-2.56,-7.68,;-2.56,-9.22,;-4.1,-7.68,;-1.02,-7.68,)|
Cc1cc(=O)c2c(CCCS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cc(OCC(C)(C)O)cc1Cl |(4.67,-.72,;3.33,-1.49,;3.33,-3.03,;2,-3.8,;2,-5.34,;.67,-3.03,;-.67,-3.8,;-.67,-5.34,;-2,-6.11,;-2,-7.65,;-3.33,-8.42,;-3.33,-9.96,;-3.33,-6.88,;-4.67,-7.65,;-2,-3.03,;-2,-1.49,;-.67,-.72,;-.67,.82,;.67,-1.49,;2,-.72,;2,1.54,;3.33,2.31,;4.67,1.54,;3.33,3.85,;2,4.62,;2,6.16,;3.33,6.93,;3.33,8.47,;1.85,8.07,;2.94,9.96,;4.67,9.24,;.67,3.85,;.67,2.31,;-.67,1.54,)|
CC(C)c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)n(Cc2ccccc2)n1