@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4338 @attribute molecule_id {CHEMBL114003,CHEMBL114781,CHEMBL115146,CHEMBL1161032,CHEMBL1161033,CHEMBL1161034,CHEMBL1161035,CHEMBL1161895,CHEMBL1161896,CHEMBL1161897,CHEMBL1161898,CHEMBL1161899,CHEMBL1161900,CHEMBL1161901,CHEMBL1161902,CHEMBL116580,CHEMBL117065,CHEMBL117127,CHEMBL117383,CHEMBL117417,CHEMBL117588,CHEMBL119243,CHEMBL1213651,CHEMBL1213652,CHEMBL124428,CHEMBL124429,CHEMBL124882,CHEMBL125508,CHEMBL126109,CHEMBL1275659,CHEMBL1275660,CHEMBL13130,CHEMBL1556,CHEMBL159266,CHEMBL159271,CHEMBL159316,CHEMBL159409,CHEMBL159514,CHEMBL159515,CHEMBL159525,CHEMBL159555,CHEMBL159556,CHEMBL159747,CHEMBL159889,CHEMBL161692,CHEMBL172306,CHEMBL172316,CHEMBL172844,CHEMBL173083,CHEMBL173142,CHEMBL1743674,CHEMBL174603,CHEMBL175305,CHEMBL175362,CHEMBL176447,CHEMBL176448,CHEMBL176480,CHEMBL176649,CHEMBL177190,CHEMBL177325,CHEMBL177945,CHEMBL177948,CHEMBL2021376,CHEMBL2024003,CHEMBL2024005,CHEMBL216925,CHEMBL218291,CHEMBL219568,CHEMBL223508,CHEMBL2311112,CHEMBL236708,CHEMBL236709,CHEMBL236710,CHEMBL236711,CHEMBL267312,CHEMBL267803,CHEMBL268378,CHEMBL269745,CHEMBL269864,CHEMBL269866,CHEMBL270904,CHEMBL271387,CHEMBL274150,CHEMBL284608,CHEMBL285258,CHEMBL285627,CHEMBL285767,CHEMBL288187,CHEMBL288737,CHEMBL299952,CHEMBL309907,CHEMBL310202,CHEMBL310364,CHEMBL311300,CHEMBL315260,CHEMBL317966,CHEMBL31882,CHEMBL324839,CHEMBL32496,CHEMBL325716,CHEMBL325862,CHEMBL326595,CHEMBL327010,CHEMBL32893,CHEMBL331133,CHEMBL33189,CHEMBL331949,CHEMBL333946,CHEMBL33416,CHEMBL33826,CHEMBL345473,CHEMBL348923,CHEMBL349024,CHEMBL349855,CHEMBL350429,CHEMBL350559,CHEMBL350773,CHEMBL351219,CHEMBL351228,CHEMBL354409,CHEMBL35668,CHEMBL357062,CHEMBL35812,CHEMBL36178,CHEMBL366963,CHEMBL368064,CHEMBL368924,CHEMBL369052,CHEMBL376474,CHEMBL385263,CHEMBL38998,CHEMBL405926,CHEMBL407776,CHEMBL41949,CHEMBL422712,CHEMBL435085,CHEMBL443968,CHEMBL445029,CHEMBL446671,CHEMBL448606,CHEMBL449072,CHEMBL452368,CHEMBL453099,CHEMBL454743,CHEMBL461527,CHEMBL462398,CHEMBL473922,CHEMBL473929,CHEMBL474121,CHEMBL474328,CHEMBL489690,CHEMBL489691,CHEMBL489887,CHEMBL490081,CHEMBL490282,CHEMBL490283,CHEMBL490284,CHEMBL490285,CHEMBL490478,CHEMBL498940,CHEMBL502217,CHEMBL505564,CHEMBL508602,CHEMBL508694,CHEMBL508929,CHEMBL509177,CHEMBL512051,CHEMBL514795,CHEMBL522099,CHEMBL522277,CHEMBL522278,CHEMBL522616,CHEMBL522757,CHEMBL522870,CHEMBL523107,CHEMBL523794,CHEMBL524489,CHEMBL538773,CHEMBL541578,CHEMBL542455,CHEMBL542702,CHEMBL542704,CHEMBL542931,CHEMBL543164,CHEMBL543401,CHEMBL544117,CHEMBL544582,CHEMBL549686,CHEMBL549687,CHEMBL552896,CHEMBL554876,CHEMBL555096,CHEMBL555854,CHEMBL555985,CHEMBL563567,CHEMBL565167,CHEMBL565199,CHEMBL591019,CHEMBL600664,CHEMBL601619,CHEMBL601916,CHEMBL603183,CHEMBL603290,CHEMBL603291,CHEMBL604660,CHEMBL604827,CHEMBL604864,CHEMBL605447,CHEMBL606113,CHEMBL606329,CHEMBL606330,CHEMBL608050,CHEMBL611275,CHEMBL61868,CHEMBL7068,CHEMBL7193,CHEMBL7194,CHEMBL7247,CHEMBL7319,CHEMBL79132,CHEMBL79460,CHEMBL79865,CHEMBL8040,CHEMBL8092,CHEMBL81839,CHEMBL8230,CHEMBL8246,CHEMBL82551,CHEMBL83158,CHEMBL8587,CHEMBL94840,CHEMBL94920,CHEMBL97006} @attribute FCFP4_1024b36 numeric @attribute FCFP4_1024b971 numeric @attribute FCFP4_1024b219 numeric @attribute FCFP4_1024b252 numeric @attribute FCFP4_1024b495 numeric @attribute FCFP4_1024b629 numeric @attribute FCFP4_1024b196 numeric @attribute FCFP4_1024b504 numeric @attribute FCFP4_1024b363 numeric @attribute FCFP4_1024b349 numeric @attribute FCFP4_1024b793 numeric @attribute FCFP4_1024b146 numeric @attribute FCFP4_1024b229 numeric @attribute FCFP4_1024b541 numeric @attribute FCFP4_1024b1023 numeric @attribute FCFP4_1024b379 numeric @attribute FCFP4_1024b620 numeric @attribute FCFP4_1024b305 numeric @attribute FCFP4_1024b1 numeric @attribute FCFP4_1024b10 numeric @attribute FCFP4_1024b100 numeric @attribute FCFP4_1024b1000 numeric @attribute FCFP4_1024b1001 numeric @attribute FCFP4_1024b1002 numeric @attribute FCFP4_1024b1003 numeric @attribute FCFP4_1024b1004 numeric @attribute FCFP4_1024b1005 numeric @attribute FCFP4_1024b1006 numeric @attribute FCFP4_1024b1007 numeric @attribute FCFP4_1024b1008 numeric @attribute FCFP4_1024b1009 numeric @attribute FCFP4_1024b101 numeric @attribute FCFP4_1024b1010 numeric @attribute FCFP4_1024b1011 numeric @attribute FCFP4_1024b1012 numeric @attribute FCFP4_1024b1013 numeric @attribute FCFP4_1024b1014 numeric @attribute FCFP4_1024b1015 numeric @attribute FCFP4_1024b1016 numeric @attribute FCFP4_1024b1017 numeric @attribute FCFP4_1024b1018 numeric @attribute FCFP4_1024b1019 numeric @attribute FCFP4_1024b102 numeric @attribute FCFP4_1024b1020 numeric @attribute FCFP4_1024b1021 numeric @attribute FCFP4_1024b1022 numeric @attribute FCFP4_1024b1024 numeric @attribute FCFP4_1024b103 numeric @attribute FCFP4_1024b104 numeric @attribute FCFP4_1024b105 numeric @attribute FCFP4_1024b106 numeric @attribute FCFP4_1024b107 numeric @attribute FCFP4_1024b108 numeric @attribute FCFP4_1024b109 numeric @attribute FCFP4_1024b11 numeric @attribute FCFP4_1024b110 numeric @attribute FCFP4_1024b111 numeric @attribute FCFP4_1024b112 numeric @attribute FCFP4_1024b113 numeric @attribute FCFP4_1024b114 numeric @attribute FCFP4_1024b115 numeric @attribute FCFP4_1024b116 numeric @attribute FCFP4_1024b117 numeric @attribute FCFP4_1024b118 numeric @attribute FCFP4_1024b119 numeric @attribute FCFP4_1024b12 numeric @attribute FCFP4_1024b120 numeric @attribute FCFP4_1024b121 numeric @attribute FCFP4_1024b122 numeric @attribute FCFP4_1024b123 numeric @attribute FCFP4_1024b124 numeric @attribute FCFP4_1024b125 numeric @attribute FCFP4_1024b126 numeric @attribute FCFP4_1024b127 numeric @attribute FCFP4_1024b128 numeric @attribute FCFP4_1024b129 numeric @attribute FCFP4_1024b13 numeric @attribute FCFP4_1024b130 numeric @attribute FCFP4_1024b131 numeric @attribute FCFP4_1024b132 numeric @attribute FCFP4_1024b133 numeric @attribute FCFP4_1024b134 numeric @attribute FCFP4_1024b135 numeric @attribute FCFP4_1024b136 numeric @attribute FCFP4_1024b137 numeric @attribute FCFP4_1024b138 numeric @attribute FCFP4_1024b139 numeric @attribute FCFP4_1024b14 numeric @attribute FCFP4_1024b140 numeric @attribute FCFP4_1024b141 numeric @attribute FCFP4_1024b142 numeric @attribute FCFP4_1024b143 numeric @attribute FCFP4_1024b144 numeric @attribute FCFP4_1024b145 numeric @attribute FCFP4_1024b147 numeric @attribute FCFP4_1024b148 numeric @attribute FCFP4_1024b149 numeric @attribute FCFP4_1024b15 numeric @attribute FCFP4_1024b150 numeric @attribute FCFP4_1024b151 numeric @attribute FCFP4_1024b152 numeric @attribute FCFP4_1024b153 numeric @attribute FCFP4_1024b154 numeric @attribute FCFP4_1024b155 numeric @attribute FCFP4_1024b156 numeric @attribute FCFP4_1024b157 numeric @attribute FCFP4_1024b158 numeric @attribute FCFP4_1024b159 numeric @attribute FCFP4_1024b16 numeric @attribute FCFP4_1024b160 numeric @attribute FCFP4_1024b161 numeric @attribute FCFP4_1024b162 numeric @attribute FCFP4_1024b163 numeric @attribute FCFP4_1024b164 numeric @attribute FCFP4_1024b165 numeric @attribute FCFP4_1024b166 numeric @attribute FCFP4_1024b167 numeric @attribute FCFP4_1024b168 numeric @attribute FCFP4_1024b169 numeric @attribute FCFP4_1024b17 numeric @attribute FCFP4_1024b170 numeric @attribute FCFP4_1024b171 numeric @attribute FCFP4_1024b172 numeric @attribute FCFP4_1024b173 numeric @attribute FCFP4_1024b174 numeric @attribute FCFP4_1024b175 numeric @attribute FCFP4_1024b176 numeric @attribute FCFP4_1024b177 numeric @attribute FCFP4_1024b178 numeric @attribute FCFP4_1024b179 numeric @attribute FCFP4_1024b18 numeric @attribute FCFP4_1024b180 numeric @attribute FCFP4_1024b181 numeric @attribute FCFP4_1024b182 numeric @attribute FCFP4_1024b183 numeric @attribute FCFP4_1024b184 numeric @attribute FCFP4_1024b185 numeric @attribute FCFP4_1024b186 numeric @attribute FCFP4_1024b187 numeric @attribute FCFP4_1024b188 numeric @attribute FCFP4_1024b189 numeric @attribute FCFP4_1024b19 numeric @attribute FCFP4_1024b190 numeric @attribute FCFP4_1024b191 numeric @attribute FCFP4_1024b192 numeric @attribute FCFP4_1024b193 numeric @attribute FCFP4_1024b194 numeric @attribute FCFP4_1024b195 numeric @attribute FCFP4_1024b197 numeric @attribute FCFP4_1024b198 numeric @attribute FCFP4_1024b199 numeric @attribute FCFP4_1024b2 numeric @attribute FCFP4_1024b20 numeric @attribute FCFP4_1024b200 numeric @attribute pXC50 numeric @data {18 1,19 1,67 1,120 1,131 1,151 1,153 1,155 7.996} {0 CHEMBL114781,7 1,18 1,19 1,44 1,60 1,100 1,119 1,120 1,125 1,131 1,151 1,153 1,155 9.658} {0 CHEMBL115146,18 1,19 1,60 1,100 1,119 1,120 1,125 1,131 1,151 1,153 1,155 9.602} {0 CHEMBL1161032,1 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,152 1,155 7.114} {0 CHEMBL1161033,1 1,8 1,13 1,14 1,19 1,44 1,53 1,120 1,121 1,131 1,152 1,155 6.81} {0 CHEMBL1161034,1 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,122 1,131 1,152 1,155 6.523} {0 CHEMBL1161035,1 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,122 1,131 1,152 1,155 7.071} {0 CHEMBL1161895,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,151 1,153 1,155 8.549} {0 CHEMBL1161896,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,151 1,153 1,155 6.354} {0 CHEMBL1161897,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,151 1,153 1,155 6.368} {0 CHEMBL1161898,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,134 1,151 1,153 1,155 7.368} {0 CHEMBL1161899,7 1,19 1,20 1,44 1,60 1,87 1,100 1,120 1,131 1,151 1,153 1,155 6.804} {0 CHEMBL1161900,7 1,19 1,20 1,44 1,60 1,87 1,100 1,120 1,131 1,151 1,153 1,155 8.452} {0 CHEMBL1161901,7 1,9 1,19 1,31 1,44 1,48 1,60 1,100 1,120 1,131 1,151 1,153 1,155 7.845} {0 CHEMBL1161902,7 1,19 1,20 1,44 1,60 1,87 1,100 1,120 1,131 1,151 1,153 1,155 5.544} {0 CHEMBL116580,1 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,152 1,155 6.222} {0 CHEMBL117065,18 1,19 1,60 1,100 1,120 1,125 1,131 1,151 1,153 1,155 7.602} {0 CHEMBL117127,1 1,6 1,8 1,13 1,14 1,19 1,42 1,44 1,120 1,121 1,131 1,151 1,152 1,155 7.886} {0 CHEMBL117383,18 1,19 1,60 1,100 1,120 1,125 1,131 1,151 1,153 1,155 7.092} {0 CHEMBL117417,1 1,8 1,13 1,14 1,19 1,42 1,44 1,86 1,120 1,121 1,122 1,124 1,131 1,152 1,155 8.959} {0 CHEMBL117588,1 1,8 1,13 1,14 1,19 1,44 1,86 1,120 1,121 1,122 1,124 1,131 1,152 1,155 5.456} {0 CHEMBL119243,1 1,6 1,8 1,13 1,14 1,19 1,42 1,44 1,120 1,121 1,122 1,124 1,131 1,152 1,155 7.161} {0 CHEMBL1213651,8 1,15 1,16 1,19 1,102 1,114 1,120 1,131 1,152 1,155 4.398} {0 CHEMBL1213652,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 10.237} {0 CHEMBL124428,1 1,7 1,19 1,30 1,44 1,60 1,100 1,101 1,111 1,120 1,121 1,131 1,151 1,152 1,153 1,155 5.18} {0 CHEMBL124429,1 1,7 1,19 1,20 1,30 1,44 1,60 1,100 1,103 1,120 1,121 1,131 1,151 1,153 1,155 5.328} {0 CHEMBL124882,1 1,7 1,19 1,30 1,44 1,60 1,87 1,100 1,115 1,120 1,121 1,129 1,131 1,151 1,152 1,153 1,155 4.097} {0 CHEMBL125508,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,151 1,152 1,155 4.903} {0 CHEMBL126109,7 1,19 1,44 1,60 1,100 1,120 1,131 1,151 1,152 1,153 1,155 6} {0 CHEMBL1275659,7 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,121 1,131 1,133 1,151 1,152 1,153 1,155 6.519} {0 CHEMBL1275660,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,153 1,155 8.26} {0 CHEMBL13130,1 1,6 1,8 1,13 1,14 1,19 1,120 1,131 1,151 1,152 1,155 5.959} {0 CHEMBL1556,8 1,13 1,14 1,15 1,16 1,19 1,114 1,120 1,124 1,131 1,152 1,155 4.398} {0 CHEMBL159266,2 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7.66} {0 CHEMBL159271,2 1,4 1,19 1,30 1,44 1,104 1,120 1,121 1,131 1,152 1,155 10.174} {0 CHEMBL159316,2 1,4 1,9 1,19 1,44 1,90 1,101 1,120 1,121 1,131 1,152 1,155 9.201} {0 CHEMBL159409,2 1,19 1,30 1,44 1,85 1,120 1,121 1,131 1,152 1,155 7.322} {0 CHEMBL159514,2 1,9 1,19 1,44 1,85 1,90 1,101 1,120 1,121 1,131 1,152 1,155 9} {0 CHEMBL159515,2 1,9 1,19 1,44 1,85 1,90 1,101 1,120 1,121 1,131 1,152 1,155 9.125} {0 CHEMBL159525,2 1,4 1,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7.959} {0 CHEMBL159555,2 1,19 1,44 1,85 1,120 1,121 1,131 1,151 1,153 1,155 7.747} {0 CHEMBL159556,2 1,19 1,44 1,85 1,120 1,121 1,131 1,151 1,153 1,155 7.322} {0 CHEMBL159747,19 1,30 1,44 1,104 1,120 1,121 1,131 1,152 1,155 10.071} {0 CHEMBL159889,2 1,19 1,44 1,85 1,120 1,121 1,131 1,151 1,153 1,155 7.959} {0 CHEMBL161692,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7.529} {0 CHEMBL172306,1 1,6 1,19 1,44 1,49 1,120 1,131 1,138 1,151 1,152 1,155 6.26} {0 CHEMBL172316,8 1,13 1,14 1,19 1,27 1,44 1,120 1,131 1,152 1,155 7.292} {0 CHEMBL172844,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.276} {0 CHEMBL173083,1 1,2 1,6 1,19 1,102 1,116 1,120 1,131 1,148 1,151 1,152 1,155 6.201} {0 CHEMBL173142,1 1,6 1,19 1,44 1,120 1,131 1,151 1,152 1,155 7.018} {0 CHEMBL1743674,19 1,44 1,60 1,92 1,100 1,120 1,131 1,151 1,153 1,155 4.523} {0 CHEMBL174603,1 1,6 1,19 1,44 1,120 1,131 1,151 1,152 1,155 7.319} {0 CHEMBL175305,1 1,6 1,19 1,44 1,79 1,120 1,131 1,151 1,152 1,155 5.137} {0 CHEMBL175362,1 1,2 1,6 1,19 1,102 1,116 1,120 1,131 1,148 1,151 1,152 1,155 6.638} {0 CHEMBL176447,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 5.796} {0 CHEMBL176448,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.796} {0 CHEMBL176480,1 1,2 1,6 1,19 1,79 1,102 1,116 1,120 1,131 1,148 1,151 1,152 1,155 6.237} {0 CHEMBL176649,1 1,2 1,6 1,19 1,79 1,102 1,116 1,120 1,131 1,148 1,151 1,152 1,155 5.959} {0 CHEMBL177190,1 1,8 1,13 1,14 1,19 1,44 1,120 1,122 1,131 1,152 1,155 7.244} {0 CHEMBL177325,2 1,8 1,19 1,120 1,131 1,146 1,152 1,155 4} {0 CHEMBL177945,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.658} {0 CHEMBL177948,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 7.252} {0 CHEMBL2021376,7 1,8 1,13 1,14 1,15 1,16 1,19 1,44 1,67 1,114 1,120 1,124 1,131 1,152 1,155 5.578} {0 CHEMBL2024003,1 1,8 1,19 1,102 1,120 1,131 1,148 1,152 1,155 7.301} {0 CHEMBL2024005,1 1,8 1,19 1,25 1,102 1,120 1,131 1,148 1,152 1,155 7.825} {0 CHEMBL216925,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,151 1,152 1,153 1,155 6.368} {0 CHEMBL218291,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 8.481} {0 CHEMBL219568,11 1,12 1,44 1,120 1,131 1,151 1,153 1,155 5.301} {0 CHEMBL223508,8 1,19 1,101 1,102 1,120 1,131 1,148 1,152 1,155 4.728} {0 CHEMBL2311112,18 1,19 1,22 1,67 1,120 1,131 1,133 1,153 1,154 1,155 9.864} {0 CHEMBL236708,1 1,8 1,19 1,102 1,120 1,122 1,131 1,148 1,152 1,155 7.72} {0 CHEMBL236709,1 1,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,122 1,131 1,151 1,152 1,153 1,155 7.69} {0 CHEMBL236710,1 1,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,122 1,131 1,151 1,152 1,153 1,155 6.762} {0 CHEMBL236711,1 1,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,122 1,131 1,151 1,152 1,153 1,155 8.149} {0 CHEMBL267312,1 1,6 1,8 1,13 1,14 1,19 1,120 1,131 1,151 1,152 1,155 6.678} {0 CHEMBL267803,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.77} {0 CHEMBL268378,8 1,13 1,14 1,19 1,27 1,44 1,74 1,120 1,131 1,152 1,155 4.854} {0 CHEMBL269745,1 1,6 1,8 1,13 1,14 1,19 1,44 1,74 1,120 1,131 1,152 1,155 6.046} {0 CHEMBL269864,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,87 1,120 1,131 1,151 1,153 1,155 10.884} {0 CHEMBL269866,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,62 1,75 1,120 1,131 1,151 1,153 1,155 9.585} {0 CHEMBL270904,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,87 1,120 1,131 1,151 1,153 1,155 8.201} {0 CHEMBL271387,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,131 1,151 1,153 1,155 6.553} {0 CHEMBL274150,8 1,13 1,14 1,19 1,44 1,120 1,131 1,152 1,155 4.824} {0 CHEMBL284608,2 1,7 1,8 1,13 1,14 1,19 1,44 1,67 1,85 1,120 1,121 1,131 1,155 5.337} {0 CHEMBL285258,7 1,8 1,13 1,14 1,19 1,44 1,67 1,120 1,121 1,131 1,155 5.301} {0 CHEMBL285627,2 1,8 1,19 1,44 1,67 1,85 1,102 1,120 1,121 1,131 1,148 1,152 1,155 6.77} {0 CHEMBL285767,19 1,44 1,75 1,113 1,120 1,121 1,131 1,151 1,153 1,155 4.022} {0 CHEMBL288187,18 1,19 1,60 1,100 1,120 1,125 1,131 1,151 1,153 1,155 10.143} {0 CHEMBL288737,7 1,19 1,44 1,75 1,78 1,97 1,120 1,121 1,131 1,151 1,152 1,153 1,155 4.503} {0 CHEMBL299952,7 1,19 1,44 1,60 1,83 1,100 1,120 1,131 1,151 1,153 1,155 5.678} {0 CHEMBL309907,1 1,7 1,19 1,30 1,44 1,60 1,87 1,100 1,120 1,121 1,131 1,151 1,152 1,153 1,155 7.509} {0 CHEMBL310202,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7.257} {0 CHEMBL310364,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,87 1,120 1,121 1,131 1,151 1,153 1,155 7.5} {0 CHEMBL311300,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 6.699} {0 CHEMBL315260,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,85 1,120 1,121 1,131 1,151 1,153 1,155 7.638} {0 CHEMBL317966,1 1,8 1,13 1,14 1,19 1,75 1,120 1,122 1,131 1,152 1,155 6.469} {0 CHEMBL31882,10 1,11 1,12 1,44 1,97 1,120 1,121 1,131 1,151 1,153 1,155 4.114} {0 CHEMBL324839,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,151 1,152 1,155 6} {0 CHEMBL32496,2 1,7 1,8 1,13 1,14 1,19 1,44 1,67 1,85 1,120 1,121 1,131 1,155 5.284} {0 CHEMBL325716,1 1,6 1,8 1,13 1,14 1,19 1,42 1,44 1,53 1,78 1,91 1,120 1,121 1,131 1,152 1,155 7.222} {0 CHEMBL325862,18 1,19 1,60 1,100 1,114 1,120 1,125 1,131 1,149 1,151 1,152 1,153 1,155 8.229} {0 CHEMBL326595,1 1,8 1,13 1,14 1,19 1,42 1,44 1,86 1,120 1,121 1,122 1,124 1,131 1,152 1,155 8.237} {0 CHEMBL327010,1 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,152 1,155 8.081} {0 CHEMBL32893,7 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,152 1,155 4.125} {0 CHEMBL331133,1 1,8 1,13 1,14 1,19 1,44 1,86 1,120 1,121 1,124 1,131 1,152 1,155 6.824} {0 CHEMBL33189,2 1,7 1,8 1,13 1,14 1,19 1,44 1,67 1,85 1,120 1,121 1,131 1,155 6.602} {0 CHEMBL331949,1 1,7 1,19 1,30 1,44 1,60 1,87 1,100 1,120 1,121 1,129 1,131 1,151 1,153 1,155 5.854} {0 CHEMBL333946,1 1,6 1,8 1,13 1,14 1,19 1,44 1,93 1,120 1,121 1,131 1,152 1,155 7.456} {0 CHEMBL33416,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,155 4.529} {0 CHEMBL33826,19 1,67 1,102 1,120 1,121 1,122 1,124 1,131 1,151 1,152 1,153 1,155 4.873} {0 CHEMBL345473,9 1,19 1,44 1,90 1,101 1,120 1,121 1,131 1,152 1,155 9.071} {0 CHEMBL348923,2 1,9 1,19 1,44 1,70 1,85 1,90 1,101 1,120 1,121 1,131 1,152 1,155 8.393} {0 CHEMBL349024,2 1,19 1,30 1,44 1,85 1,120 1,121 1,131 1,152 1,155 10.244} {0 CHEMBL349855,2 1,19 1,30 1,44 1,85 1,120 1,121 1,131 1,152 1,155 10.523} {0 CHEMBL350429,9 1,19 1,44 1,52 1,120 1,121 1,131 1,151 1,153 1,155 9.328} {0 CHEMBL350559,2 1,12 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7.244} {0 CHEMBL350773,2 1,9 1,19 1,21 1,44 1,52 1,70 1,85 1,120 1,121 1,131 1,151 1,153 1,155 8.393} {0 CHEMBL351219,2 1,9 1,19 1,21 1,44 1,52 1,85 1,120 1,121 1,131 1,151 1,153 1,155 9.602} {0 CHEMBL351228,2 1,9 1,19 1,21 1,44 1,52 1,85 1,120 1,121 1,131 1,151 1,153 1,155 9.796} {0 CHEMBL354409,1 1,6 1,8 1,13 1,14 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.409} {0 CHEMBL35668,7 1,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,155 4.371} {0 CHEMBL357062,19 1,20 1,22 1,44 1,67 1,87 1,120 1,131 1,133 1,153 1,154 1,155 8.699} {0 CHEMBL35812,8 1,13 1,14 1,19 1,44 1,67 1,120 1,121 1,131 1,155 4.943} {0 CHEMBL36178,7 1,8 1,13 1,14 1,19 1,44 1,67 1,75 1,120 1,121 1,131 1,152 1,155 5.051} {0 CHEMBL366963,1 1,6 1,19 1,44 1,120 1,131 1,151 1,152 1,155 6.721} {0 CHEMBL368064,1 1,6 1,19 1,44 1,79 1,120 1,131 1,151 1,152 1,155 6.444} {0 CHEMBL368924,1 1,2 1,19 1,79 1,102 1,116 1,120 1,122 1,131 1,148 1,152 1,155 7.31} {0 CHEMBL369052,1 1,6 1,19 1,44 1,79 1,120 1,131 1,151 1,152 1,155 7.187} {0 CHEMBL376474,8 1,19 1,44 1,67 1,102 1,120 1,131 1,148 1,152 1,155 4.873} {0 CHEMBL385263,7 1,19 1,20 1,44 1,60 1,100 1,120 1,131 1,151 1,153 1,155 8.699} {0 CHEMBL38998,2 1,7 1,19 1,44 1,78 1,85 1,97 1,120 1,121 1,131 1,151 1,153 1,155 5.268} {0 CHEMBL405926,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,131 1,151 1,153 1,155 7.889} {0 CHEMBL407776,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,153 1,155 9.64} {0 CHEMBL41949,18 1,19 1,22 1,44 1,67 1,120 1,131 1,152 1,153 1,155 10.018} {0 CHEMBL422712,2 1,4 1,9 1,19 1,44 1,52 1,120 1,121 1,131 1,151 1,153 1,155 10.071} {0 CHEMBL435085,7 1,19 1,20 1,44 1,60 1,87 1,100 1,120 1,131 1,151 1,153 1,155 9.788} {0 CHEMBL443968,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,87 1,120 1,131 1,151 1,152 1,153 1,155 9.932} {0 CHEMBL445029,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,153 1,155 6.783} {0 CHEMBL446671,8 1,13 1,14 1,19 1,44 1,120 1,121 1,131 1,152 1,155 5.155} {0 CHEMBL448606,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 6.721} {0 CHEMBL449072,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,69 1,75 1,120 1,129 1,131 1,151 1,153 1,155 7.602} {0 CHEMBL452368,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,129 1,131 1,140 1,151 1,153 1,155 6.921} {0 CHEMBL453099,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,129 1,131 1,134 1,151 1,153 1,155 6.644} {0 CHEMBL454743,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,87 1,120 1,131 1,151 1,153 1,155 9.42} {0 CHEMBL461527,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,152 1,153 1,155 8.237} {0 CHEMBL462398,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,67 1,75 1,120 1,131 1,151 1,152 1,153 1,155 8.367} {0 CHEMBL473922,2 1,3 1,4 1,5 1,10 1,11 1,12 1,18 1,19 1,26 1,44 1,120 1,131 1,151 1,153 1,155 10.458} {0 CHEMBL473929,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,152 1,153 1,155 6.996} {0 CHEMBL474121,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 7.921} {0 CHEMBL474328,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,121 1,131 1,151 1,152 1,153 1,155 6.796} {0 CHEMBL489690,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,19 1,44 1,120 1,126 1,131 1,151 1,153 1,155 9.398} {0 CHEMBL489691,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 9.108} {0 CHEMBL489887,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,69 1,75 1,120 1,129 1,131 1,151 1,153 1,155 9.108} {0 CHEMBL490081,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,85 1,120 1,131 1,151 1,153 1,155 7.851} {0 CHEMBL490282,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,120 1,131 1,134 1,151 1,153 1,155 8.432} {0 CHEMBL490283,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 8.377} {0 CHEMBL490284,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,31 1,48 1,75 1,120 1,131 1,151 1,153 1,155 8.959} {0 CHEMBL490285,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 8.284} {0 CHEMBL490478,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,153 1,155 7.018} {0 CHEMBL498940,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,48 1,75 1,78 1,87 1,120 1,131 1,151 1,153 1,155 9.391} {0 CHEMBL502217,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 7.509} {0 CHEMBL505564,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 9.959} {0 CHEMBL508602,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,131 1,134 1,151 1,153 1,155 9.367} {0 CHEMBL508694,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 6.046} {0 CHEMBL508929,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,131 1,151 1,153 1,155 9.329} {0 CHEMBL509177,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,121 1,131 1,151 1,153 1,155 6.523} {0 CHEMBL512051,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,34 1,52 1,75 1,87 1,120 1,131 1,151 1,152 1,153 1,155 8.102} {0 CHEMBL514795,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,44 1,75 1,87 1,120 1,131 1,151 1,152 1,153 1,155 10.354} {0 CHEMBL522099,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 9} {0 CHEMBL522277,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,87 1,120 1,131 1,151 1,153 1,155 8.886} {0 CHEMBL522278,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 8.367} {0 CHEMBL522616,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,75 1,120 1,131 1,134 1,151 1,153 1,155 8.125} {0 CHEMBL522757,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 9.678} {0 CHEMBL522870,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,20 1,48 1,75 1,78 1,87 1,120 1,131 1,151 1,153 1,155 7.745} {0 CHEMBL523107,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,126 1,131 1,151 1,153 1,155 9.208} {0 CHEMBL523794,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 7.076} {0 CHEMBL524489,2 1,3 1,4 1,5 1,9 1,10 1,11 1,12 1,17 1,19 1,48 1,75 1,120 1,131 1,151 1,153 1,155 7.827} {0 CHEMBL538773,18 1,19 1,60 1,100 1,107 1,120 1,125 1,131 1,151 1,153 1,155 8.022} {0 CHEMBL541578,18 1,19 1,60 1,100 1,120 1,125 1,131 1,151 1,153 1,155 8.854} {0 CHEMBL542455,18 1,19 1,101 1,120 1,131 1,151 1,153 1,155 8.252} {0 CHEMBL542702,19 1,20 1,60 1,67 1,100 1,120 1,131 1,151 1,153 1,155 6.382} {0 CHEMBL542704,19 1,60 1,100 1,120 1,131 1,151 1,153 1,155 6.602} {0 CHEMBL542931,15 1,16 1,19 1,114 1,120 1,124 1,131 1,152 1,155 4.523} {0 CHEMBL543164,2 1,3 1,8 1,11 1,18 1,19 1,26 1,120 1,131 1,155 8.328} {0 CHEMBL543401,19 1,20 1,60 1,100 1,120 1,131 1,151 1,153 1,155 8.547} {0 CHEMBL544117,18 1,19 1,60 1,100 1,102 1,120 1,125 1,131 1,151 1,152 1,153 1,155 8.328} {0 CHEMBL544582,10 1,19 1,60 1,114 1,120 1,124 1,131 1,151 1,152 1,153 1,155 4.896} {0 CHEMBL549686,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 7} {0 CHEMBL549687,10 1,11 1,12 1,17 1,18 1,19 1,75 1,120 1,121 1,131 1,151 1,153 1,155 7} {0 CHEMBL552896,15 1,16 1,19 1,44 1,114 1,120 1,124 1,131 1,152 1,155 5} {0 CHEMBL554876,2 1,4 1,7 1,19 1,44 1,78 1,97 1,120 1,121 1,131 1,151 1,153 1,155 6.064} {0 CHEMBL555096,2 1,7 1,19 1,44 1,78 1,85 1,97 1,120 1,121 1,131 1,151 1,153 1,155 6} {0 CHEMBL555854,7 1,19 1,44 1,78 1,97 1,120 1,121 1,131 1,151 1,153 1,155 5.796} {0 CHEMBL555985,18 1,19 1,60 1,100 1,102 1,120 1,125 1,131 1,151 1,152 1,153 1,155 7.607} {0 CHEMBL563567,3 1,10 1,11 1,12 1,17 1,18 1,19 1,75 1,120 1,131 1,151 1,152 1,153 1,155 7} {0 CHEMBL565167,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,18 1,19 1,26 1,75 1,120 1,131 1,151 1,153 1,155 7} {0 CHEMBL565199,2 1,3 1,4 1,5 1,10 1,11 1,12 1,17 1,19 1,75 1,120 1,131 1,151 1,153 1,155 7} {0 CHEMBL591019,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,28 1,44 1,120 1,131 1,151 1,152 1,153 1,155 7.772} {0 CHEMBL600664,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,28 1,44 1,120 1,131 1,151 1,152 1,153 1,155 8.149} {0 CHEMBL601619,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,28 1,44 1,120 1,131 1,151 1,152 1,153 1,155 8.252} {0 CHEMBL601916,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,28 1,44 1,120 1,131 1,151 1,152 1,153 1,155 6.77} {0 CHEMBL603183,19 1,22 1,67 1,100 1,114 1,120 1,124 1,131 1,133 1,152 1,153 1,154 1,155 4} {0 CHEMBL603290,7 1,19 1,22 1,67 1,100 1,114 1,120 1,121 1,131 1,133 1,152 1,153 1,154 1,155 4.585} {0 CHEMBL603291,7 1,8 1,13 1,14 1,15 1,16 1,19 1,44 1,67 1,114 1,120 1,121 1,131 1,152 1,155 6.347} {0 CHEMBL604660,19 1,60 1,100 1,114 1,120 1,131 1,151 1,152 1,153 1,155 6.754} {0 CHEMBL604827,19 1,60 1,100 1,114 1,120 1,124 1,131 1,151 1,152 1,153 1,155 5.699} {0 CHEMBL604864,19 1,60 1,100 1,114 1,120 1,131 1,151 1,152 1,153 1,155 6.699} {0 CHEMBL605447,7 1,19 1,44 1,60 1,100 1,114 1,120 1,124 1,131 1,151 1,152 1,153 1,155 5.538} {0 CHEMBL606113,7 1,8 1,13 1,14 1,15 1,16 1,19 1,44 1,49 1,67 1,114 1,120 1,121 1,131 1,152 1,155 4.432} {0 CHEMBL606329,19 1,22 1,67 1,100 1,120 1,131 1,133 1,152 1,153 1,154 1,155 5.155} {0 CHEMBL606330,7 1,8 1,13 1,14 1,15 1,16 1,19 1,44 1,49 1,114 1,120 1,121 1,131 1,152 1,155 4.032} {0 CHEMBL608050,15 1,16 1,19 1,37 1,114 1,120 1,131 1,152 1,155 4.699} {0 CHEMBL611275,15 1,16 1,19 1,37 1,44 1,114 1,120 1,131 1,152 1,155 4.097} {0 CHEMBL61868,4 1,44 1,48 1,120 1,121 1,131 1,151 1,153 1,155 5.004} {0 CHEMBL7068,1 1,6 1,8 1,13 1,14 1,19 1,44 1,74 1,120 1,131 1,152 1,155 5.854} {0 CHEMBL7193,8 1,13 1,14 1,19 1,44 1,115 1,120 1,131 1,152 1,155 8.06} {0 CHEMBL7194,1 1,6 1,8 1,19 1,41 1,52 1,74 1,120 1,131 1,148 1,152 1,155 5.854} {0 CHEMBL7247,1 1,6 1,8 1,13 1,14 1,19 1,44 1,74 1,120 1,131 1,152 1,155 5.959} {0 CHEMBL7319,1 1,6 1,8 1,13 1,14 1,19 1,44 1,74 1,120 1,131 1,152 1,155 6.409} {0 CHEMBL79132,1 1,7 1,19 1,30 1,44 1,60 1,87 1,100 1,120 1,121 1,131 1,151 1,152 1,153 1,155 6.421} {0 CHEMBL79460,1 1,7 1,19 1,30 1,44 1,60 1,100 1,120 1,121 1,131 1,151 1,152 1,153 1,155 6.728} {0 CHEMBL79865,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 7} {0 CHEMBL8040,7 1,11 1,12 1,44 1,120 1,131 1,151 1,153 1,155 6.16} {0 CHEMBL8092,7 1,8 1,13 1,14 1,19 1,44 1,67 1,120 1,131 1,152 1,155 4.638} {0 CHEMBL81839,1 1,7 1,19 1,20 1,30 1,44 1,60 1,87 1,100 1,103 1,120 1,121 1,131 1,151 1,153 1,155 5.824} {0 CHEMBL8230,7 1,8 1,13 1,14 1,19 1,44 1,67 1,120 1,121 1,131 1,155 6.514} {0 CHEMBL8246,7 1,8 1,13 1,14 1,19 1,44 1,67 1,72 1,120 1,131 1,152 1,155 5} {0 CHEMBL82551,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,121 1,131 1,151 1,153 1,155 6.569} {0 CHEMBL83158,2 1,3 1,4 1,5 1,10 1,11 1,12 1,19 1,44 1,120 1,121 1,122 1,124 1,131 1,151 1,152 1,153 1,155 6.523} {0 CHEMBL8587,7 1,8 1,13 1,14 1,19 1,44 1,67 1,72 1,120 1,131 1,155 4.907} {0 CHEMBL94840,1 1,8 1,13 1,14 1,19 1,49 1,120 1,122 1,131 1,152 1,155 7.456} {0 CHEMBL94920,1 1,8 1,13 1,14 1,19 1,49 1,120 1,122 1,131 1,152 1,155 6.495} {0 CHEMBL97006,1 1,8 1,13 1,14 1,19 1,44 1,75 1,120 1,122 1,131 1,152 1,155 6.445}