@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL317

@attribute molecule_id {CHEMBL1084941,CHEMBL112244,CHEMBL1202000,CHEMBL1202001,CHEMBL1202002,CHEMBL1202003,CHEMBL1202004,CHEMBL1212982,CHEMBL1212983,CHEMBL1212989,CHEMBL1212992,CHEMBL1212994,CHEMBL12587,CHEMBL127587,CHEMBL131865,CHEMBL134692,CHEMBL1354105,CHEMBL14,CHEMBL1535797,CHEMBL1551487,CHEMBL1589763,CHEMBL1593296,CHEMBL1609153,CHEMBL1624037,CHEMBL163901,CHEMBL165220,CHEMBL1916224,CHEMBL1916225,CHEMBL1916226,CHEMBL1916227,CHEMBL1916228,CHEMBL1916229,CHEMBL1916230,CHEMBL1916231,CHEMBL1916232,CHEMBL1916233,CHEMBL1916234,CHEMBL1916235,CHEMBL194216,CHEMBL1978713,CHEMBL2057417,CHEMBL2112217,CHEMBL2313377,CHEMBL2315675,CHEMBL2315676,CHEMBL2315680,CHEMBL253978,CHEMBL255169,CHEMBL255523,CHEMBL256202,CHEMBL265256,CHEMBL270580,CHEMBL271519,CHEMBL271704,CHEMBL27673,CHEMBL277642,CHEMBL294273,CHEMBL302995,CHEMBL303678,CHEMBL303684,CHEMBL304112,CHEMBL304391,CHEMBL305403,CHEMBL335115,CHEMBL407678,CHEMBL420739,CHEMBL43383,CHEMBL466253,CHEMBL503735,CHEMBL517712,CHEMBL522460,CHEMBL523685,CHEMBL64000,CHEMBL64788,CHEMBL67381,CHEMBL67532,CHEMBL68709,CHEMBL68771,CHEMBL70003,CHEMBL7303,CHEMBL76897,CHEMBL978,CHEMBL9967}
@attribute FCFP4_1024b370 numeric
@attribute FCFP4_1024b380 numeric
@attribute FCFP4_1024b20 numeric
@attribute FCFP4_1024b185 numeric
@attribute FCFP4_1024b196 numeric
@attribute FCFP4_1024b316 numeric
@attribute FCFP4_1024b535 numeric
@attribute FCFP4_1024b18 numeric
@attribute FCFP4_1024b908 numeric
@attribute FCFP4_1024b122 numeric
@attribute FCFP4_1024b478 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_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_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 pXC50 numeric

@data
{8 1,12 1,103 5.567}
{0 CHEMBL112244,8 1,10 1,12 1,13 1,46 1,96 1,103 7.8}
{0 CHEMBL1202000,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.4}
{0 CHEMBL1202001,8 1,10 1,12 1,13 1,46 1,96 1,103 7.44}
{0 CHEMBL1202002,8 1,12 1,13 1,46 1,79 1,96 1,103 6.8}
{0 CHEMBL1202003,8 1,10 1,12 1,13 1,46 1,79 1,103 7.38}
{0 CHEMBL1202004,8 1,10 1,12 1,13 1,46 1,103 8.55}
{0 CHEMBL1212982,8 1,12 1,32 1,37 1,103 5.222}
{0 CHEMBL1212983,8 1,12 1,32 1,37 1,103 5.886}
{0 CHEMBL1212989,8 1,12 1,32 1,37 1,80 1,103 6.523}
{0 CHEMBL1212992,8 1,12 1,32 1,37 1,60 1,103 6.146}
{0 CHEMBL1212994,8 1,12 1,32 1,37 1,80 1,103 6.398}
{0 CHEMBL12587,12 1,30 1,38 1,90 1,103 5.854}
{0 CHEMBL127587,12 1,13 1,27 1,103 8.622}
{0 CHEMBL131865,8 1,10 1,12 1,13 1,34 1,46 1,96 1,103 8.84}
{0 CHEMBL134692,8 1,9 1,10 1,12 1,34 1,46 1,96 1,103 7.2}
{0 CHEMBL1354105,8 1,12 1,32 1,37 1,80 1,96 1,103 6.737}
{0 CHEMBL14,12 1,25 1,90 1,103 5.585}
{0 CHEMBL1535797,4 1,5 1,9 1,12 1,24 1,103 4.669}
{0 CHEMBL1551487,8 1,12 1,32 1,37 1,68 1,96 1,103 7}
{0 CHEMBL1589763,8 1,12 1,32 1,37 1,80 1,96 1,103 6.046}
{0 CHEMBL1593296,8 1,12 1,13 1,32 1,37 1,76 1,96 1,103 6.718}
{0 CHEMBL1609153,4 1,5 1,9 1,12 1,24 1,103 4.523}
{0 CHEMBL1624037,4 1,5 1,9 1,12 1,24 1,103 4.523}
{0 CHEMBL163901,8 1,12 1,13 1,18 1,60 1,103 7.4}
{0 CHEMBL165220,8 1,12 1,13 1,103 7.5}
{0 CHEMBL1916224,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 4.523}
{0 CHEMBL1916225,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916226,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 4.523}
{0 CHEMBL1916227,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916228,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,68 1,103 5}
{0 CHEMBL1916229,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916230,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 5}
{0 CHEMBL1916231,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,93 1,95 1,103 5}
{0 CHEMBL1916232,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,78 1,103 5}
{0 CHEMBL1916233,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,68 1,103 5}
{0 CHEMBL1916234,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916235,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,93 1,95 1,103 5}
{0 CHEMBL194216,8 1,12 1,13 1,103 6.27}
{0 CHEMBL1978713,8 1,12 1,32 1,37 1,68 1,103 6.638}
{0 CHEMBL2057417,8 1,11 1,12 1,32 1,37 1,103 6.757}
{0 CHEMBL2112217,8 1,12 1,13 1,46 1,79 1,96 1,103 5.777}
{0 CHEMBL2313377,8 1,11 1,12 1,32 1,37 1,103 6.832}
{0 CHEMBL2315675,1 1,2 1,3 1,12 1,13 1,46 1,56 1,80 1,103 5.287}
{0 CHEMBL2315676,1 1,2 1,3 1,12 1,13 1,37 1,46 1,56 1,80 1,103 5}
{0 CHEMBL2315680,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,60 1,78 1,103 5}
{0 CHEMBL253978,8 1,12 1,13 1,46 1,78 1,79 1,103 7.759}
{0 CHEMBL255169,12 1,13 1,46 1,95 1,103 4.745}
{0 CHEMBL255523,8 1,12 1,13 1,46 1,95 1,103 6.352}
{0 CHEMBL256202,8 1,12 1,13 1,46 1,95 1,103 5.292}
{0 CHEMBL265256,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.935}
{0 CHEMBL270580,12 1,13 1,46 1,103 5.102}
{0 CHEMBL271519,12 1,13 1,46 1,103 4.18}
{0 CHEMBL271704,12 1,13 1,46 1,95 1,103 4.699}
{0 CHEMBL27673,8 1,10 1,12 1,42 1,68 1,103 7.58}
{0 CHEMBL277642,3 1,8 1,12 1,13 1,103 8.268}
{0 CHEMBL294273,1 1,3 1,8 1,12 1,13 1,103 5.081}
{0 CHEMBL302995,8 1,12 1,13 1,46 1,79 1,96 1,103 4}
{0 CHEMBL303678,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL303684,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.635}
{0 CHEMBL304112,8 1,9 1,12 1,13 1,46 1,79 1,96 1,103 6.678}
{0 CHEMBL304391,8 1,12 1,13 1,46 1,47 1,79 1,80 1,87 1,96 1,103 5.532}
{0 CHEMBL305403,8 1,12 1,13 1,24 1,46 1,79 1,80 1,96 1,103 5.983}
{0 CHEMBL335115,8 1,9 1,10 1,12 1,34 1,46 1,96 1,103 7.7}
{0 CHEMBL407678,8 1,9 1,10 1,12 1,13 1,34 1,46 1,79 1,96 1,103 6.8}
{0 CHEMBL420739,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL43383,8 1,12 1,13 1,46 1,79 1,96 1,103 8}
{0 CHEMBL466253,12 1,68 1,103 4.523}
{0 CHEMBL503735,12 1,19 1,60 1,80 1,103 5}
{0 CHEMBL517712,1 1,3 1,12 1,13 1,103 9.284}
{0 CHEMBL522460,1 1,2 1,3 1,12 1,13 1,46 1,56 1,80 1,103 4.523}
{0 CHEMBL523685,12 1,80 1,103 4.523}
{0 CHEMBL64000,8 1,12 1,103 7.72}
{0 CHEMBL64788,8 1,12 1,103 5.102}
{0 CHEMBL67381,8 1,12 1,13 1,46 1,79 1,80 1,96 1,103 6.658}
{0 CHEMBL67532,8 1,12 1,13 1,46 1,79 1,96 1,103 6.886}
{0 CHEMBL68709,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL68771,8 1,12 1,13 1,46 1,79 1,96 1,103 5.547}
{0 CHEMBL70003,8 1,12 1,13 1,46 1,53 1,79 1,95 1,96 1,103 5.59}
{0 CHEMBL7303,12 1,13 1,103 5.62}
{0 CHEMBL76897,12 1,18 1,60 1,90 1,103 9.29}
{0 CHEMBL978,12 1,90 1,103 5.796}
{0 CHEMBL9967,8 1,12 1,13 1,46 1,79 1,96 1,103 7.46}