@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2781

@attribute molecule_id {CHEMBL109362,CHEMBL110029,CHEMBL110578,CHEMBL110637,CHEMBL112146,CHEMBL112867,CHEMBL112899,CHEMBL112903,CHEMBL113201,CHEMBL113369,CHEMBL113443,CHEMBL113462,CHEMBL113620,CHEMBL114342,CHEMBL114393,CHEMBL167495,CHEMBL189048,CHEMBL189789,CHEMBL189792,CHEMBL189970,CHEMBL190607,CHEMBL191456,CHEMBL191671,CHEMBL192109,CHEMBL192151,CHEMBL192185,CHEMBL192197,CHEMBL192227,CHEMBL192250,CHEMBL192283,CHEMBL192284,CHEMBL192328,CHEMBL192601,CHEMBL192634,CHEMBL192635,CHEMBL192664,CHEMBL192690,CHEMBL192825,CHEMBL192981,CHEMBL193004,CHEMBL193121,CHEMBL193311,CHEMBL193499,CHEMBL193701,CHEMBL193812,CHEMBL193941,CHEMBL194156,CHEMBL194157,CHEMBL194606,CHEMBL195160,CHEMBL195277,CHEMBL195422,CHEMBL195507,CHEMBL195607,CHEMBL195608,CHEMBL195986,CHEMBL196066,CHEMBL196487,CHEMBL196645,CHEMBL196655,CHEMBL196714,CHEMBL196715,CHEMBL196790,CHEMBL196943,CHEMBL197147,CHEMBL197155,CHEMBL197156,CHEMBL197401,CHEMBL197409,CHEMBL197519,CHEMBL2105423,CHEMBL211922,CHEMBL211924,CHEMBL212033,CHEMBL212856,CHEMBL213568,CHEMBL214646,CHEMBL214922,CHEMBL215399,CHEMBL215509,CHEMBL215510,CHEMBL215928,CHEMBL2169894,CHEMBL2170603,CHEMBL2170604,CHEMBL2170605,CHEMBL2170606,CHEMBL2170607,CHEMBL2170608,CHEMBL2170609,CHEMBL2170610,CHEMBL2170611,CHEMBL2170612,CHEMBL2170613,CHEMBL2170614,CHEMBL2170615,CHEMBL2170616,CHEMBL2170617,CHEMBL2170618,CHEMBL2170619,CHEMBL2170620,CHEMBL2170621,CHEMBL2170622,CHEMBL2170623,CHEMBL2170624,CHEMBL2170625,CHEMBL2170626,CHEMBL2170627,CHEMBL2170628,CHEMBL2170629,CHEMBL2170630,CHEMBL2170631,CHEMBL2170632,CHEMBL2170633,CHEMBL2170634,CHEMBL2170635,CHEMBL2170636,CHEMBL2170637,CHEMBL2170638,CHEMBL2170639,CHEMBL2170640,CHEMBL2170641,CHEMBL2170642,CHEMBL2170643,CHEMBL2170644,CHEMBL2170645,CHEMBL2170646,CHEMBL2170647,CHEMBL2170648,CHEMBL2170649,CHEMBL2170650,CHEMBL2170651,CHEMBL217698,CHEMBL231784,CHEMBL231926,CHEMBL231927,CHEMBL231929,CHEMBL231982,CHEMBL232124,CHEMBL232179,CHEMBL232180,CHEMBL232355,CHEMBL232558,CHEMBL232744,CHEMBL232748,CHEMBL232940,CHEMBL232974,CHEMBL232975,CHEMBL232976,CHEMBL233154,CHEMBL233352,CHEMBL233353,CHEMBL233354,CHEMBL233778,CHEMBL233779,CHEMBL233780,CHEMBL263960,CHEMBL297962,CHEMBL298358,CHEMBL299011,CHEMBL299212,CHEMBL299442,CHEMBL299962,CHEMBL301068,CHEMBL301286,CHEMBL301321,CHEMBL321198,CHEMBL331141,CHEMBL333603,CHEMBL352933,CHEMBL354137,CHEMBL355071,CHEMBL355862,CHEMBL363344,CHEMBL364681,CHEMBL364731,CHEMBL364735,CHEMBL364923,CHEMBL364926,CHEMBL365153,CHEMBL366227,CHEMBL366228,CHEMBL370216,CHEMBL370954,CHEMBL371454,CHEMBL371801,CHEMBL372051,CHEMBL372360,CHEMBL372839,CHEMBL373301,CHEMBL373324,CHEMBL376979,CHEMBL378339,CHEMBL379871,CHEMBL380382,CHEMBL384143,CHEMBL384410,CHEMBL384466,CHEMBL385944,CHEMBL391171,CHEMBL392093,CHEMBL392311,CHEMBL394633,CHEMBL395395,CHEMBL395667,CHEMBL395897,CHEMBL395898,CHEMBL395900,CHEMBL396615,CHEMBL396616,CHEMBL397141,CHEMBL398143,CHEMBL398144,CHEMBL419578,CHEMBL424813,CHEMBL425073,CHEMBL425186,CHEMBL425378,CHEMBL425565,CHEMBL427551,CHEMBL436285,CHEMBL436322,CHEMBL436559,CHEMBL439854,CHEMBL440029,CHEMBL441127,CHEMBL443584,CHEMBL448886,CHEMBL448948,CHEMBL450633,CHEMBL452446,CHEMBL460929,CHEMBL460930,CHEMBL460931,CHEMBL461810,CHEMBL461982,CHEMBL462831,CHEMBL462832,CHEMBL472948,CHEMBL472949,CHEMBL473146,CHEMBL473758,CHEMBL473950,CHEMBL473951,CHEMBL473960,CHEMBL474945,CHEMBL474946,CHEMBL490553,CHEMBL490554,CHEMBL490898,CHEMBL490954,CHEMBL491139,CHEMBL491155,CHEMBL491313,CHEMBL491314,CHEMBL491315,CHEMBL491488,CHEMBL49235,CHEMBL50529,CHEMBL50670,CHEMBL50671,CHEMBL506782,CHEMBL506832,CHEMBL50955,CHEMBL51010,CHEMBL51363,CHEMBL514145,CHEMBL514807,CHEMBL515105,CHEMBL516366,CHEMBL516367,CHEMBL51727,CHEMBL517433,CHEMBL517986,CHEMBL51879,CHEMBL51950,CHEMBL52345,CHEMBL523484,CHEMBL52381,CHEMBL64360,CHEMBL945}
@attribute FCFP4_1024b957 numeric
@attribute FCFP4_1024b695 numeric
@attribute FCFP4_1024b574 numeric
@attribute FCFP4_1024b693 numeric
@attribute FCFP4_1024b417 numeric
@attribute FCFP4_1024b71 numeric
@attribute FCFP4_1024b669 numeric
@attribute FCFP4_1024b1019 numeric
@attribute FCFP4_1024b198 numeric
@attribute FCFP4_1024b496 numeric
@attribute FCFP4_1024b800 numeric
@attribute FCFP4_1024b18 numeric
@attribute FCFP4_1024b521 numeric
@attribute FCFP4_1024b787 numeric
@attribute FCFP4_1024b826 numeric
@attribute FCFP4_1024b373 numeric
@attribute FCFP4_1024b547 numeric
@attribute FCFP4_1024b246 numeric
@attribute FCFP4_1024b702 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_1024b102 numeric
@attribute FCFP4_1024b1020 numeric
@attribute FCFP4_1024b1021 numeric
@attribute FCFP4_1024b1022 numeric
@attribute FCFP4_1024b1023 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_1024b146 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_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_1024b196 numeric
@attribute FCFP4_1024b197 numeric
@attribute FCFP4_1024b199 numeric
@attribute FCFP4_1024b2 numeric
@attribute FCFP4_1024b20 numeric
@attribute pXC50 numeric

@data
{1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.495}
{0 CHEMBL110029,1 1,3 1,20 1,103 1,122 1,123 1,131 1,153 1,155 5.796}
{0 CHEMBL110578,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 7.398}
{0 CHEMBL110637,1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.77}
{0 CHEMBL112146,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 6.009}
{0 CHEMBL112867,1 1,3 1,16 1,17 1,20 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL112899,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 7.046}
{0 CHEMBL112903,1 1,8 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.301}
{0 CHEMBL113201,1 1,3 1,20 1,103 1,122 1,123 1,153 1,155 5.456}
{0 CHEMBL113369,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 5.796}
{0 CHEMBL113443,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.301}
{0 CHEMBL113462,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 5.538}
{0 CHEMBL113620,1 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,153 1,155 7.161}
{0 CHEMBL114342,1 1,3 1,16 1,17 1,20 1,76 1,122 1,123 1,153 1,155 6.268}
{0 CHEMBL114393,1 1,3 1,7 1,20 1,103 1,122 1,123 1,137 1,153 1,155 6.921}
{0 CHEMBL167495,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.066}
{0 CHEMBL189048,1 1,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.959}
{0 CHEMBL189789,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.638}
{0 CHEMBL189792,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 6.319}
{0 CHEMBL189970,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.959}
{0 CHEMBL190607,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.357}
{0 CHEMBL191456,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL191671,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 4.523}
{0 CHEMBL192109,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.77}
{0 CHEMBL192151,12 1,13 1,14 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL192185,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.125}
{0 CHEMBL192197,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.409}
{0 CHEMBL192227,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.092}
{0 CHEMBL192250,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.569}
{0 CHEMBL192283,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL192284,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL192328,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL192601,12 1,13 1,15 1,20 1,25 1,88 1,122 1,123 1,153 1,155 5.77}
{0 CHEMBL192634,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 6.469}
{0 CHEMBL192635,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.62}
{0 CHEMBL192664,12 1,13 1,15 1,20 1,122 1,123 1,126 1,153 1,155 5.432}
{0 CHEMBL192690,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.509}
{0 CHEMBL192825,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.921}
{0 CHEMBL192981,12 1,13 1,14 1,15 1,19 1,20 1,44 1,84 1,122 1,123 1,153 1,155 4.699}
{0 CHEMBL193004,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 6.854}
{0 CHEMBL193121,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 4.523}
{0 CHEMBL193311,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.137}
{0 CHEMBL193499,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.602}
{0 CHEMBL193701,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.602}
{0 CHEMBL193812,1 1,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.071}
{0 CHEMBL193941,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.959}
{0 CHEMBL194156,12 1,13 1,14 1,15 1,19 1,20 1,44 1,122 1,123 1,147 1,153 1,155 4.523}
{0 CHEMBL194157,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.886}
{0 CHEMBL194606,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL195160,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.62}
{0 CHEMBL195277,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.032}
{0 CHEMBL195422,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.699}
{0 CHEMBL195507,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.066}
{0 CHEMBL195607,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.131}
{0 CHEMBL195608,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL195986,12 1,13 1,14 1,15 1,19 1,20 1,25 1,67 1,122 1,123 1,153 1,155 5.357}
{0 CHEMBL196066,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.051}
{0 CHEMBL196487,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.319}
{0 CHEMBL196645,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 4.921}
{0 CHEMBL196655,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.114}
{0 CHEMBL196714,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 5.77}
{0 CHEMBL196715,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.77}
{0 CHEMBL196790,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 6.569}
{0 CHEMBL196943,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.959}
{0 CHEMBL197147,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.076}
{0 CHEMBL197155,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.469}
{0 CHEMBL197156,12 1,13 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 5.638}
{0 CHEMBL197401,12 1,13 1,15 1,19 1,20 1,52 1,88 1,122 1,123 1,153 1,155 6.699}
{0 CHEMBL197409,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.409}
{0 CHEMBL197519,12 1,13 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 6.398}
{0 CHEMBL2105423,6 1,7 1,8 1,11 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.764}
{0 CHEMBL211922,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.086}
{0 CHEMBL211924,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,44 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.268}
{0 CHEMBL212033,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.569}
{0 CHEMBL212856,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,76 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.027}
{0 CHEMBL213568,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.131}
{0 CHEMBL214646,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,103 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.06}
{0 CHEMBL214922,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6}
{0 CHEMBL215399,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.215}
{0 CHEMBL215509,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.284}
{0 CHEMBL215510,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.602}
{0 CHEMBL215928,1 1,2 1,3 1,6 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.237}
{0 CHEMBL2169894,1 1,2 1,3 1,4 1,7 1,8 1,20 1,122 1,123 1,153 1,155 7.44}
{0 CHEMBL2170603,1 1,2 1,3 1,4 1,7 1,8 1,20 1,122 1,123 1,153 1,155 7.538}
{0 CHEMBL2170604,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,42 1,67 1,122 1,123 1,153 1,155 6.697}
{0 CHEMBL2170605,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 6.896}
{0 CHEMBL2170606,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.328}
{0 CHEMBL2170607,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,90 1,122 1,123 1,153 1,155 7.549}
{0 CHEMBL2170608,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,20 1,67 1,122 1,123 1,153 1,155 7.319}
{0 CHEMBL2170609,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.734}
{0 CHEMBL2170610,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.509}
{0 CHEMBL2170611,1 1,2 1,3 1,4 1,5 1,7 1,8 1,20 1,67 1,122 1,123 1,153 1,155 7.553}
{0 CHEMBL2170612,1 1,2 1,3 1,4 1,5 1,7 1,8 1,20 1,67 1,76 1,122 1,123 1,140 1,153 1,155 6.365}
{0 CHEMBL2170613,1 1,2 1,3 1,4 1,6 1,7 1,8 1,20 1,122 1,123 1,153 1,155 6.575}
{0 CHEMBL2170614,1 1,2 1,3 1,4 1,6 1,7 1,8 1,20 1,122 1,123 1,153 1,155 6.724}
{0 CHEMBL2170615,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.746}
{0 CHEMBL2170616,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,15 1,20 1,67 1,119 1,122 1,123 1,153 1,155 6.939}
{0 CHEMBL2170617,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,20 1,67 1,72 1,82 1,122 1,123 1,153 1,155 6.955}
{0 CHEMBL2170618,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,15 1,20 1,67 1,68 1,122 1,123 1,153 1,155 7.477}
{0 CHEMBL2170619,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,76 1,122 1,123 1,153 1,155 6.591}
{0 CHEMBL2170620,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,54 1,67 1,95 1,122 1,123 1,153 1,155 6.67}
{0 CHEMBL2170621,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.208}
{0 CHEMBL2170622,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,54 1,67 1,86 1,122 1,123 1,153 1,155 7.29}
{0 CHEMBL2170623,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,122 1,123 1,135 1,153 1,155 6.618}
{0 CHEMBL2170624,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,12 1,20 1,67 1,90 1,122 1,123 1,153 1,155 6.381}
{0 CHEMBL2170625,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,20 1,67 1,76 1,122 1,123 1,153 1,155 6.656}
{0 CHEMBL2170626,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,14 1,15 1,18 1,20 1,25 1,56 1,67 1,68 1,122 1,123 1,153 1,155 6.452}
{0 CHEMBL2170627,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,68 1,82 1,122 1,123 1,153 1,155 6.772}
{0 CHEMBL2170628,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,140 1,153 1,155 6.86}
{0 CHEMBL2170629,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.818}
{0 CHEMBL2170630,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.955}
{0 CHEMBL2170631,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,21 1,67 1,86 1,122 1,123 1,153 1,155 6.699}
{0 CHEMBL2170632,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.428}
{0 CHEMBL2170633,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.262}
{0 CHEMBL2170634,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.57}
{0 CHEMBL2170635,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.45}
{0 CHEMBL2170636,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.62}
{0 CHEMBL2170637,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,15 1,20 1,67 1,86 1,122 1,123 1,153 1,155 7.424}
{0 CHEMBL2170638,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.515}
{0 CHEMBL2170639,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,18 1,20 1,67 1,122 1,123 1,153 1,155 7.662}
{0 CHEMBL2170640,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.022}
{0 CHEMBL2170641,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 6.618}
{0 CHEMBL2170642,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.963}
{0 CHEMBL2170643,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.849}
{0 CHEMBL2170644,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,122 1,123 1,153 1,155 6.382}
{0 CHEMBL2170645,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 5.947}
{0 CHEMBL2170646,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.21}
{0 CHEMBL2170647,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,18 1,20 1,67 1,88 1,122 1,123 1,153 1,155 6.636}
{0 CHEMBL2170648,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,14 1,18 1,20 1,67 1,122 1,123 1,153 1,155 5.164}
{0 CHEMBL2170649,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,11 1,12 1,13 1,14 1,15 1,18 1,20 1,56 1,67 1,68 1,122 1,123 1,153 1,155 6.713}
{0 CHEMBL2170650,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 5.8}
{0 CHEMBL2170651,3 1,6 1,7 1,8 1,19 1,20 1,67 1,68 1,122 1,123 1,146 1,152 1,153 1,154 1,155 5.459}
{0 CHEMBL217698,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.187}
{0 CHEMBL231784,12 1,13 1,14 1,15 1,20 1,24 1,88 1,122 1,123 1,153 1,155 5.523}
{0 CHEMBL231926,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 5.921}
{0 CHEMBL231927,12 1,13 1,14 1,15 1,20 1,44 1,76 1,122 1,123 1,153 1,155 6.824}
{0 CHEMBL231929,12 1,13 1,14 1,15 1,20 1,25 1,44 1,122 1,123 1,153 1,155 6.114}
{0 CHEMBL231982,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL232124,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.824}
{0 CHEMBL232179,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL232180,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 4.481}
{0 CHEMBL232355,12 1,13 1,15 1,20 1,44 1,76 1,88 1,122 1,123 1,153 1,155 6.921}
{0 CHEMBL232558,12 1,13 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 6.886}
{0 CHEMBL232744,12 1,13 1,15 1,20 1,25 1,44 1,122 1,123 1,153 1,155 7.143}
{0 CHEMBL232748,12 1,13 1,15 1,20 1,76 1,88 1,97 1,122 1,123 1,153 1,155 8}
{0 CHEMBL232940,12 1,13 1,15 1,20 1,44 1,76 1,88 1,122 1,123 1,153 1,155 7.824}
{0 CHEMBL232974,12 1,13 1,14 1,15 1,20 1,97 1,122 1,123 1,153 1,155 7.62}
{0 CHEMBL232975,12 1,13 1,14 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 6.638}
{0 CHEMBL232976,12 1,13 1,14 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 5.252}
{0 CHEMBL233154,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.921}
{0 CHEMBL233352,12 1,13 1,14 1,15 1,20 1,53 1,103 1,122 1,123 1,153 1,155 4.854}
{0 CHEMBL233353,12 1,13 1,15 1,20 1,53 1,88 1,103 1,122 1,123 1,153 1,155 5.208}
{0 CHEMBL233354,12 1,13 1,15 1,20 1,53 1,76 1,88 1,103 1,122 1,123 1,153 1,155 5.347}
{0 CHEMBL233778,12 1,13 1,15 1,20 1,53 1,54 1,88 1,122 1,123 1,153 1,155 7.018}
{0 CHEMBL233779,3 1,7 1,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 5.292}
{0 CHEMBL233780,3 1,7 1,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.796}
{0 CHEMBL263960,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 5.292}
{0 CHEMBL297962,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 7.766}
{0 CHEMBL298358,1 1,2 1,7 1,12 1,13 1,15 1,20 1,122 1,123 1,137 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL299011,1 1,7 1,12 1,13 1,15 1,20 1,44 1,68 1,122 1,123 1,137 1,152 1,153 1,154 1,155 5.585}
{0 CHEMBL299212,1 1,12 1,20 1,44 1,115 1,122 1,123 1,155 4.523}
{0 CHEMBL299442,1 1,7 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,137 1,153 1,155 4.523}
{0 CHEMBL299962,1 1,12 1,13 1,20 1,82 1,88 1,122 1,123 1,153 1,155 5.314}
{0 CHEMBL301068,1 1,7 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,137 1,152 1,153 1,154 1,155 5.42}
{0 CHEMBL301286,1 1,2 1,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,154 1,155 6.022}
{0 CHEMBL301321,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,155 4.523}
{0 CHEMBL321198,1 1,9 1,10 1,16 1,17 1,20 1,76 1,122 1,123 1,153 1,155 7.921}
{0 CHEMBL331141,1 1,3 1,20 1,88 1,103 1,122 1,123 1,153 1,155 6.553}
{0 CHEMBL333603,1 1,3 1,20 1,103 1,122 1,123 1,131 1,153 1,155 4.523}
{0 CHEMBL352933,12 1,15 1,20 1,122 1,123 1,153 1,155 6.081}
{0 CHEMBL354137,1 1,3 1,12 1,15 1,20 1,122 1,123 1,153 1,155 6.796}
{0 CHEMBL355071,1 1,3 1,12 1,15 1,20 1,122 1,123 1,153 1,155 6.456}
{0 CHEMBL355862,1 1,3 1,12 1,13 1,15 1,20 1,122 1,123 1,153 1,155 7.229}
{0 CHEMBL363344,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.854}
{0 CHEMBL364681,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.102}
{0 CHEMBL364731,12 1,13 1,15 1,20 1,76 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL364735,12 1,13 1,14 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.222}
{0 CHEMBL364923,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 4.824}
{0 CHEMBL364926,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.456}
{0 CHEMBL365153,8 1,12 1,13 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.523}
{0 CHEMBL366227,12 1,13 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.886}
{0 CHEMBL366228,12 1,13 1,15 1,20 1,25 1,122 1,123 1,153 1,155 6.187}
{0 CHEMBL370216,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.377}
{0 CHEMBL370954,12 1,13 1,14 1,15 1,20 1,76 1,122 1,123 1,153 1,155 5.638}
{0 CHEMBL371454,12 1,13 1,15 1,19 1,20 1,21 1,86 1,122 1,123 1,153 1,155 5.699}
{0 CHEMBL371801,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.886}
{0 CHEMBL372051,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.854}
{0 CHEMBL372360,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL372839,12 1,13 1,14 1,15 1,20 1,25 1,122 1,123 1,153 1,155 5.469}
{0 CHEMBL373301,12 1,13 1,14 1,15 1,19 1,20 1,44 1,122 1,123 1,147 1,153 1,155 4.523}
{0 CHEMBL373324,7 1,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.585}
{0 CHEMBL376979,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.678}
{0 CHEMBL378339,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,153 1,155 4.959}
{0 CHEMBL379871,1 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,53 1,61 1,68 1,88 1,98 1,103 1,104 1,122 1,123 1,152 1,153 1,154 1,155 5.721}
{0 CHEMBL380382,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.387}
{0 CHEMBL384143,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,21 1,25 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 8.337}
{0 CHEMBL384410,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 5.066}
{0 CHEMBL384466,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.215}
{0 CHEMBL385944,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 7.824}
{0 CHEMBL391171,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.387}
{0 CHEMBL392093,3 1,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 9.319}
{0 CHEMBL392311,3 1,7 1,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 6.319}
{0 CHEMBL394633,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 8.097}
{0 CHEMBL395395,12 1,13 1,14 1,15 1,20 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL395667,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 6.921}
{0 CHEMBL395897,12 1,13 1,15 1,20 1,88 1,122 1,123 1,153 1,155 8.046}
{0 CHEMBL395898,12 1,13 1,15 1,20 1,76 1,88 1,122 1,123 1,153 1,155 7.921}
{0 CHEMBL395900,12 1,13 1,14 1,15 1,20 1,53 1,54 1,88 1,122 1,123 1,153 1,155 6.086}
{0 CHEMBL396615,12 1,13 1,14 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 7.62}
{0 CHEMBL396616,12 1,13 1,14 1,15 1,20 1,53 1,54 1,122 1,123 1,153 1,155 6.086}
{0 CHEMBL397141,12 1,13 1,15 1,20 1,88 1,97 1,122 1,123 1,153 1,155 7.796}
{0 CHEMBL398143,12 1,13 1,14 1,15 1,20 1,44 1,122 1,123 1,153 1,155 5.638}
{0 CHEMBL398144,12 1,13 1,14 1,15 1,20 1,44 1,122 1,123 1,153 1,155 6.62}
{0 CHEMBL419578,1 1,9 1,10 1,16 1,17 1,20 1,88 1,122 1,123 1,153 1,155 8.523}
{0 CHEMBL424813,12 1,13 1,14 1,15 1,19 1,20 1,67 1,122 1,123 1,153 1,155 5.699}
{0 CHEMBL425073,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,68 1,88 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.456}
{0 CHEMBL425186,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,131 1,153 1,155 5.638}
{0 CHEMBL425378,12 1,13 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.509}
{0 CHEMBL425565,12 1,13 1,14 1,15 1,19 1,20 1,122 1,123 1,153 1,155 6.167}
{0 CHEMBL427551,12 1,13 1,15 1,19 1,20 1,44 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL436285,12 1,13 1,14 1,15 1,19 1,20 1,88 1,122 1,123 1,153 1,155 5.252}
{0 CHEMBL436322,12 1,13 1,15 1,19 1,20 1,25 1,67 1,88 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL436559,1 1,8 1,20 1,122 1,123 1,153 1,155 5.469}
{0 CHEMBL439854,12 1,13 1,14 1,15 1,19 1,20 1,25 1,67 1,122 1,123 1,153 1,155 5.027}
{0 CHEMBL440029,12 1,13 1,14 1,15 1,20 1,122 1,123 1,153 1,155 5.357}
{0 CHEMBL441127,12 1,13 1,14 1,15 1,20 1,44 1,88 1,122 1,123 1,153 1,155 6.167}
{0 CHEMBL443584,12 1,13 1,14 1,15 1,20 1,53 1,88 1,103 1,122 1,123 1,153 1,155 4.854}
{0 CHEMBL448886,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.347}
{0 CHEMBL448948,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL450633,1 1,2 1,3 1,7 1,12 1,13 1,14 1,15 1,20 1,40 1,68 1,76 1,98 1,104 1,122 1,123 1,152 1,153 1,154 1,155 6.456}
{0 CHEMBL452446,12 1,13 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 7.143}
{0 CHEMBL460929,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL460930,12 1,13 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.959}
{0 CHEMBL460931,8 1,12 1,13 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.301}
{0 CHEMBL461810,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.62}
{0 CHEMBL461982,12 1,13 1,14 1,15 1,20 1,25 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.921}
{0 CHEMBL462831,1 1,8 1,20 1,122 1,123 1,153 1,155 5.921}
{0 CHEMBL462832,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.921}
{0 CHEMBL472948,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.347}
{0 CHEMBL472949,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL473146,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.18}
{0 CHEMBL473758,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.854}
{0 CHEMBL473950,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL473951,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.143}
{0 CHEMBL473960,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.387}
{0 CHEMBL474945,12 1,13 1,14 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.301}
{0 CHEMBL474946,12 1,13 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 7}
{0 CHEMBL490553,12 1,13 1,15 1,20 1,68 1,76 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.097}
{0 CHEMBL490554,12 1,13 1,14 1,15 1,20 1,117 1,122 1,123 1,153 1,155 5.086}
{0 CHEMBL490898,12 1,13 1,14 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 5.18}
{0 CHEMBL490954,12 1,13 1,15 1,20 1,117 1,122 1,123 1,153 1,155 6.051}
{0 CHEMBL491139,12 1,13 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.553}
{0 CHEMBL491155,12 1,13 1,15 1,20 1,68 1,76 1,88 1,122 1,123 1,152 1,153 1,154 1,155 6.62}
{0 CHEMBL491313,12 1,13 1,15 1,20 1,117 1,122 1,123 1,153 1,155 5.481}
{0 CHEMBL491314,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.77}
{0 CHEMBL491315,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 4.523}
{0 CHEMBL491488,8 1,12 1,13 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 5.149}
{0 CHEMBL49235,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,152 1,154 1,155 6.745}
{0 CHEMBL50529,1 1,12 1,13 1,15 1,20 1,44 1,122 1,123 1,155 5.444}
{0 CHEMBL50670,1 1,7 1,12 1,13 1,20 1,44 1,122 1,123 1,137 1,153 1,155 4.523}
{0 CHEMBL50671,1 1,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,155 5.097}
{0 CHEMBL506782,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.509}
{0 CHEMBL506832,12 1,13 1,14 1,15 1,20 1,88 1,117 1,122 1,123 1,153 1,155 5.377}
{0 CHEMBL50955,1 1,2 1,7 1,12 1,13 1,15 1,20 1,68 1,122 1,123 1,137 1,152 1,153 1,154 1,155 4.959}
{0 CHEMBL51010,1 1,7 1,12 1,13 1,20 1,82 1,122 1,123 1,137 1,153 1,155 5}
{0 CHEMBL51363,1 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,153 1,155 8.222}
{0 CHEMBL514145,12 1,13 1,15 1,20 1,68 1,88 1,122 1,123 1,152 1,153 1,154 1,155 5.523}
{0 CHEMBL514807,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 6.284}
{0 CHEMBL515105,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 5.678}
{0 CHEMBL516366,12 1,13 1,14 1,15 1,20 1,68 1,76 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL516367,12 1,13 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 5.569}
{0 CHEMBL51727,1 1,12 1,13 1,15 1,20 1,44 1,88 1,122 1,123 1,152 1,154 1,155 6.125}
{0 CHEMBL517433,12 1,13 1,14 1,15 1,20 1,68 1,122 1,123 1,152 1,153 1,154 1,155 4.523}
{0 CHEMBL517986,7 1,12 1,13 1,15 1,20 1,43 1,44 1,104 1,122 1,153 1,155 6.097}
{0 CHEMBL51879,1 1,7 1,9 1,10 1,16 1,17 1,20 1,122 1,123 1,137 1,153 1,155 8.046}
{0 CHEMBL51950,1 1,12 1,13 1,15 1,20 1,44 1,68 1,122 1,123 1,152 1,154 1,155 8.097}
{0 CHEMBL52345,1 1,2 1,12 1,13 1,15 1,20 1,122 1,123 1,152 1,154 1,155 5.398}
{0 CHEMBL523484,12 1,13 1,15 1,20 1,25 1,117 1,122 1,123 1,153 1,155 6.658}
{0 CHEMBL52381,1 1,12 1,13 1,15 1,20 1,44 1,68 1,88 1,122 1,123 1,152 1,154 1,155 7.409}
{0 CHEMBL64360,8 1,12 1,20 1,122 1,123 1,153 1,155 6.42}
{0 CHEMBL945,12 1,13 1,15 1,20 1,44 1,76 1,122 1,153 1,155 4.222}