@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2888

@attribute molecule_id {CHEMBL104296,CHEMBL121053,CHEMBL123842,CHEMBL123847,CHEMBL124078,CHEMBL124483,CHEMBL124501,CHEMBL134749,CHEMBL140197,CHEMBL1629855,CHEMBL1630805,CHEMBL1630806,CHEMBL1630807,CHEMBL1688377,CHEMBL1783985,CHEMBL1830698,CHEMBL1830707,CHEMBL1830711,CHEMBL186453,CHEMBL192051,CHEMBL192977,CHEMBL195500,CHEMBL2063423,CHEMBL2111822,CHEMBL2112574,CHEMBL2112579,CHEMBL2112580,CHEMBL2112581,CHEMBL2112582,CHEMBL2112583,CHEMBL2112584,CHEMBL2112585,CHEMBL2112586,CHEMBL2112634,CHEMBL2151817,CHEMBL218710,CHEMBL2204436,CHEMBL2204437,CHEMBL2204438,CHEMBL2204439,CHEMBL2204440,CHEMBL2204441,CHEMBL2204442,CHEMBL2204443,CHEMBL2204444,CHEMBL2204445,CHEMBL2204446,CHEMBL2311108,CHEMBL275079,CHEMBL279956,CHEMBL280563,CHEMBL293434,CHEMBL297150,CHEMBL29726,CHEMBL302411,CHEMBL304919,CHEMBL305406,CHEMBL318029,CHEMBL325500,CHEMBL330097,CHEMBL331753,CHEMBL332141,CHEMBL333487,CHEMBL333771,CHEMBL338282,CHEMBL341457,CHEMBL34453,CHEMBL351166,CHEMBL357043,CHEMBL365368,CHEMBL375611,CHEMBL39338,CHEMBL40086,CHEMBL40123,CHEMBL432038,CHEMBL496882,CHEMBL505105,CHEMBL538325,CHEMBL575060,CHEMBL60164,CHEMBL66654,CHEMBL8759,CHEMBL8839,CHEMBL88553,CHEMBL88612,CHEMBL88999,CHEMBL89000,CHEMBL90501,CHEMBL90675}
@attribute FCFP4_1024b583 numeric
@attribute FCFP4_1024b492 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 pXC50 numeric

@data
{3 1,52 4.903}
{0 CHEMBL121053,1 1,2 1,3 1,34 1,50 1,52 8.684}
{0 CHEMBL123842,1 1,2 1,3 1,28 1,52 6.699}
{0 CHEMBL123847,1 1,2 1,3 1,26 1,51 1,52 6.377}
{0 CHEMBL124078,1 1,2 1,3 1,52 6.77}
{0 CHEMBL124483,1 1,2 1,3 1,52 6.585}
{0 CHEMBL124501,1 1,2 1,3 1,26 1,52 7.097}
{0 CHEMBL134749,2 1,3 1,52 4.347}
{0 CHEMBL140197,2 1,3 1,13 1,52 8.523}
{0 CHEMBL1629855,3 1,8 1,37 1,51 1,52 6.569}
{0 CHEMBL1630805,3 1,37 1,49 1,52 4.873}
{0 CHEMBL1630806,3 1,37 1,49 1,52 5.051}
{0 CHEMBL1630807,3 1,37 1,49 1,52 4.983}
{0 CHEMBL1688377,3 1,52 4.523}
{0 CHEMBL1783985,2 1,3 1,52 4.523}
{0 CHEMBL1830698,3 1,6 1,52 5}
{0 CHEMBL1830707,3 1,6 1,52 5}
{0 CHEMBL1830711,3 1,6 1,13 1,52 5}
{0 CHEMBL186453,2 1,3 1,50 1,52 7.62}
{0 CHEMBL192051,1 1,2 1,3 1,52 5.756}
{0 CHEMBL192977,2 1,3 1,52 5.007}
{0 CHEMBL195500,1 1,2 1,3 1,52 4}
{0 CHEMBL2063423,3 1,37 1,49 1,52 4.523}
{0 CHEMBL2111822,1 1,2 1,3 1,26 1,52 6.745}
{0 CHEMBL2112574,1 1,2 1,3 1,52 5.854}
{0 CHEMBL2112579,1 1,2 1,3 1,52 5.602}
{0 CHEMBL2112580,1 1,2 1,3 1,52 5.921}
{0 CHEMBL2112581,1 1,2 1,3 1,52 6.244}
{0 CHEMBL2112582,1 1,2 1,3 1,52 6.187}
{0 CHEMBL2112583,1 1,2 1,3 1,52 6.328}
{0 CHEMBL2112584,1 1,2 1,3 1,52 6.26}
{0 CHEMBL2112585,1 1,2 1,3 1,52 5.553}
{0 CHEMBL2112586,1 1,2 1,3 1,52 6.119}
{0 CHEMBL2112634,1 1,2 1,3 1,17 1,26 1,52 7.097}
{0 CHEMBL2151817,3 1,52 5}
{0 CHEMBL218710,1 1,2 1,3 1,34 1,52 6.514}
{0 CHEMBL2204436,3 1,52 5.377}
{0 CHEMBL2204437,2 1,3 1,52 5.42}
{0 CHEMBL2204438,2 1,3 1,52 5.301}
{0 CHEMBL2204439,2 1,3 1,52 5.606}
{0 CHEMBL2204440,3 1,52 5.242}
{0 CHEMBL2204441,3 1,52 5}
{0 CHEMBL2204442,2 1,3 1,52 5.684}
{0 CHEMBL2204443,3 1,4 1,8 1,52 5}
{0 CHEMBL2204444,3 1,4 1,52 5}
{0 CHEMBL2204445,2 1,3 1,52 5.827}
{0 CHEMBL2204446,2 1,3 1,52 5.375}
{0 CHEMBL2311108,1 1,2 1,3 1,52 6.553}
{0 CHEMBL275079,2 1,3 1,52 8.288}
{0 CHEMBL279956,2 1,3 1,9 1,28 1,52 4.398}
{0 CHEMBL280563,2 1,3 1,52 6.357}
{0 CHEMBL293434,2 1,3 1,4 1,18 1,52 4.793}
{0 CHEMBL297150,2 1,3 1,4 1,52 4.284}
{0 CHEMBL29726,2 1,3 1,52 4.523}
{0 CHEMBL302411,2 1,3 1,4 1,18 1,52 5.067}
{0 CHEMBL304919,2 1,3 1,4 1,18 1,52 4.197}
{0 CHEMBL305406,3 1,40 1,52 4}
{0 CHEMBL318029,1 1,2 1,3 1,52 7.796}
{0 CHEMBL325500,2 1,3 1,30 1,52 5}
{0 CHEMBL330097,2 1,3 1,52 7}
{0 CHEMBL331753,1 1,2 1,3 1,52 5.745}
{0 CHEMBL332141,1 1,2 1,3 1,52 5}
{0 CHEMBL333487,1 1,2 1,3 1,52 5}
{0 CHEMBL333771,1 1,2 1,3 1,52 6.745}
{0 CHEMBL338282,1 1,2 1,3 1,52 6.678}
{0 CHEMBL341457,1 1,2 1,3 1,52 6.796}
{0 CHEMBL34453,2 1,3 1,52 4.523}
{0 CHEMBL351166,2 1,3 1,52 4.481}
{0 CHEMBL357043,2 1,3 1,13 1,52 5}
{0 CHEMBL365368,1 1,2 1,3 1,52 6.292}
{0 CHEMBL375611,1 1,2 1,3 1,52 7.178}
{0 CHEMBL39338,2 1,3 1,52 4.523}
{0 CHEMBL40086,2 1,3 1,50 1,52 5.523}
{0 CHEMBL40123,2 1,3 1,52 5.215}
{0 CHEMBL432038,1 1,2 1,3 1,52 7.854}
{0 CHEMBL496882,3 1,26 1,52 5}
{0 CHEMBL505105,3 1,37 1,38 1,52 5}
{0 CHEMBL538325,2 1,3 1,52 5}
{0 CHEMBL575060,2 1,3 1,52 5.324}
{0 CHEMBL60164,2 1,3 1,4 1,18 1,52 4.395}
{0 CHEMBL66654,3 1,52 4}
{0 CHEMBL8759,1 1,2 1,3 1,52 7.42}
{0 CHEMBL8839,2 1,3 1,52 8.117}
{0 CHEMBL88553,3 1,52 4}
{0 CHEMBL88612,3 1,29 1,52 4}
{0 CHEMBL88999,2 1,3 1,52 8.119}
{0 CHEMBL89000,2 1,3 1,52 8.337}
{0 CHEMBL90501,1 1,2 1,3 1,52 5.658}
{0 CHEMBL90675,2 1,3 1,52 6.699}