@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4620

@attribute molecule_id {CHEMBL111777,CHEMBL112120,CHEMBL112293,CHEMBL112469,CHEMBL113119,CHEMBL113973,CHEMBL114712,CHEMBL114988,CHEMBL115087,CHEMBL115391,CHEMBL115610,CHEMBL13155,CHEMBL13181,CHEMBL13256,CHEMBL13370,CHEMBL13442,CHEMBL13443,CHEMBL13447,CHEMBL13514,CHEMBL13664,CHEMBL13773,CHEMBL159277,CHEMBL160018,CHEMBL161665,CHEMBL161693,CHEMBL161803,CHEMBL162162,CHEMBL162887,CHEMBL162934,CHEMBL162935,CHEMBL162950,CHEMBL163052,CHEMBL163398,CHEMBL163433,CHEMBL163864,CHEMBL163917,CHEMBL164244,CHEMBL164252,CHEMBL164538,CHEMBL165038,CHEMBL165329,CHEMBL165438,CHEMBL166740,CHEMBL167155,CHEMBL167182,CHEMBL167283,CHEMBL167299,CHEMBL167521,CHEMBL167707,CHEMBL167790,CHEMBL167791,CHEMBL167856,CHEMBL167888,CHEMBL168047,CHEMBL168083,CHEMBL174683,CHEMBL175882,CHEMBL175894,CHEMBL176058,CHEMBL178076,CHEMBL178973,CHEMBL189272,CHEMBL189885,CHEMBL190345,CHEMBL190689,CHEMBL190764,CHEMBL190765,CHEMBL190813,CHEMBL191670,CHEMBL192654,CHEMBL193227,CHEMBL193263,CHEMBL19332,CHEMBL195662,CHEMBL23283,CHEMBL26052,CHEMBL264215,CHEMBL265345,CHEMBL266222,CHEMBL266854,CHEMBL273701,CHEMBL273735,CHEMBL274131,CHEMBL274451,CHEMBL274547,CHEMBL275116,CHEMBL275290,CHEMBL276488,CHEMBL280721,CHEMBL302364,CHEMBL302988,CHEMBL303395,CHEMBL303619,CHEMBL303953,CHEMBL305435,CHEMBL308193,CHEMBL308654,CHEMBL320324,CHEMBL320795,CHEMBL323191,CHEMBL323981,CHEMBL325126,CHEMBL326276,CHEMBL326939,CHEMBL348944,CHEMBL349123,CHEMBL349236,CHEMBL349461,CHEMBL349659,CHEMBL350593,CHEMBL351020,CHEMBL351439,CHEMBL352277,CHEMBL352783,CHEMBL352900,CHEMBL352911,CHEMBL353453,CHEMBL353549,CHEMBL353754,CHEMBL354354,CHEMBL354813,CHEMBL354874,CHEMBL355048,CHEMBL355076,CHEMBL363650,CHEMBL363651,CHEMBL364026,CHEMBL366015,CHEMBL366016,CHEMBL367415,CHEMBL368589,CHEMBL370243,CHEMBL372008,CHEMBL372230,CHEMBL372382,CHEMBL372927,CHEMBL409509,CHEMBL411714,CHEMBL419065,CHEMBL424014,CHEMBL424194,CHEMBL430270,CHEMBL433526,CHEMBL433963,CHEMBL434083,CHEMBL434726,CHEMBL435648,CHEMBL435857,CHEMBL436098,CHEMBL444346,CHEMBL445891,CHEMBL446360,CHEMBL66065,CHEMBL68034,CHEMBL68035,CHEMBL68089,CHEMBL68314,CHEMBL68725,CHEMBL69077,CHEMBL69220,CHEMBL69987,CHEMBL71391}
@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 pXC50 numeric

@data
{1 1,2 1,52 4.585}
{0 CHEMBL112120,1 1,26 1,35 1,52 4.509}
{0 CHEMBL112293,1 1,19 1,26 1,52 5.432}
{0 CHEMBL112469,1 1,19 1,26 1,52 4.523}
{0 CHEMBL113119,1 1,2 1,52 4.509}
{0 CHEMBL113973,1 1,26 1,52 4.824}
{0 CHEMBL114712,1 1,19 1,26 1,52 4.509}
{0 CHEMBL114988,1 1,19 1,26 1,52 5.569}
{0 CHEMBL115087,1 1,19 1,26 1,52 4.971}
{0 CHEMBL115391,1 1,19 1,26 1,52 4.886}
{0 CHEMBL115610,1 1,19 1,26 1,52 5.301}
{0 CHEMBL13155,1 1,52 4.222}
{0 CHEMBL13181,1 1,52 4.222}
{0 CHEMBL13256,1 1,52 6.638}
{0 CHEMBL13370,1 1,52 5.745}
{0 CHEMBL13442,1 1,52 5.444}
{0 CHEMBL13443,1 1,52 6.377}
{0 CHEMBL13447,1 1,52 4.959}
{0 CHEMBL13514,1 1,52 5.658}
{0 CHEMBL13664,1 1,52 4.222}
{0 CHEMBL13773,1 1,52 4.921}
{0 CHEMBL159277,1 1,42 1,52 4.796}
{0 CHEMBL160018,1 1,52 6.523}
{0 CHEMBL161665,1 1,52 4.301}
{0 CHEMBL161693,1 1,52 4.301}
{0 CHEMBL161803,1 1,52 4.301}
{0 CHEMBL162162,1 1,52 5.481}
{0 CHEMBL162887,1 1,52 6}
{0 CHEMBL162934,1 1,52 4.807}
{0 CHEMBL162935,1 1,52 4.301}
{0 CHEMBL162950,1 1,52 5.027}
{0 CHEMBL163052,1 1,52 4}
{0 CHEMBL163398,1 1,52 5.484}
{0 CHEMBL163433,1 1,52 5.77}
{0 CHEMBL163864,1 1,42 1,52 4.301}
{0 CHEMBL163917,1 1,52 6.481}
{0 CHEMBL164244,1 1,15 1,35 1,52 4.699}
{0 CHEMBL164252,1 1,52 4.301}
{0 CHEMBL164538,1 1,52 5.788}
{0 CHEMBL165038,1 1,24 1,35 1,52 5.268}
{0 CHEMBL165329,1 1,19 1,24 1,26 1,49 1,52 5.745}
{0 CHEMBL165438,1 1,35 1,52 5.387}
{0 CHEMBL166740,1 1,35 1,52 5.745}
{0 CHEMBL167155,1 1,35 1,50 1,52 5.854}
{0 CHEMBL167182,1 1,24 1,52 4.301}
{0 CHEMBL167283,1 1,35 1,52 4.301}
{0 CHEMBL167299,1 1,35 1,52 4.854}
{0 CHEMBL167521,1 1,24 1,52 5.301}
{0 CHEMBL167707,1 1,24 1,52 5.854}
{0 CHEMBL167790,1 1,24 1,35 1,52 6}
{0 CHEMBL167791,1 1,24 1,52 4.301}
{0 CHEMBL167856,1 1,52 4.678}
{0 CHEMBL167888,1 1,52 4.495}
{0 CHEMBL168047,1 1,35 1,52 5.337}
{0 CHEMBL168083,1 1,52 5.523}
{0 CHEMBL174683,1 1,15 1,38 1,39 1,52 5.367}
{0 CHEMBL175882,1 1,35 1,52 7}
{0 CHEMBL175894,1 1,2 1,6 1,52 7}
{0 CHEMBL176058,1 1,10 1,35 1,52 6.097}
{0 CHEMBL178076,1 1,38 1,39 1,52 4.921}
{0 CHEMBL178973,1 1,2 1,6 1,24 1,52 7.347}
{0 CHEMBL189272,1 1,32 1,34 1,42 1,52 4.8}
{0 CHEMBL189885,1 1,32 1,34 1,42 1,52 4.1}
{0 CHEMBL190345,1 1,32 1,34 1,42 1,52 4.5}
{0 CHEMBL190689,1 1,11 1,32 1,34 1,42 1,52 5.7}
{0 CHEMBL190764,1 1,32 1,34 1,42 1,52 5.1}
{0 CHEMBL190765,1 1,32 1,34 1,42 1,52 5.4}
{0 CHEMBL190813,1 1,32 1,34 1,42 1,52 4.3}
{0 CHEMBL191670,1 1,32 1,34 1,42 1,52 5.2}
{0 CHEMBL192654,1 1,32 1,34 1,42 1,49 1,52 5.2}
{0 CHEMBL193227,1 1,32 1,34 1,42 1,52 4.7}
{0 CHEMBL193263,1 1,32 1,34 1,42 1,52 4.3}
{0 CHEMBL19332,1 1,52 5.244}
{0 CHEMBL195662,1 1,32 1,34 1,42 1,52 5}
{0 CHEMBL23283,1 1,19 1,26 1,52 5.456}
{0 CHEMBL26052,1 1,19 1,26 1,52 4.975}
{0 CHEMBL264215,1 1,52 5.237}
{0 CHEMBL265345,1 1,52 5.569}
{0 CHEMBL266222,1 1,52 5.114}
{0 CHEMBL266854,1 1,52 4.222}
{0 CHEMBL273701,1 1,52 4.377}
{0 CHEMBL273735,1 1,52 5.276}
{0 CHEMBL274131,1 1,52 4.222}
{0 CHEMBL274451,1 1,52 5.886}
{0 CHEMBL274547,1 1,34 1,52 5.796}
{0 CHEMBL275116,1 1,52 4.222}
{0 CHEMBL275290,1 1,52 7.222}
{0 CHEMBL276488,1 1,52 5.367}
{0 CHEMBL280721,1 1,19 1,26 1,52 4.509}
{0 CHEMBL302364,1 1,15 1,52 4.745}
{0 CHEMBL302988,1 1,15 1,52 4.469}
{0 CHEMBL303395,1 1,15 1,34 1,52 4}
{0 CHEMBL303619,1 1,15 1,34 1,52 4.301}
{0 CHEMBL303953,1 1,15 1,52 4}
{0 CHEMBL305435,1 1,15 1,52 4.495}
{0 CHEMBL308193,1 1,15 1,52 4.921}
{0 CHEMBL308654,1 1,15 1,34 1,52 4.208}
{0 CHEMBL320324,1 1,34 1,52 6.42}
{0 CHEMBL320795,1 1,19 1,26 1,52 4.301}
{0 CHEMBL323191,1 1,19 1,26 1,52 4.367}
{0 CHEMBL323981,1 1,19 1,24 1,26 1,52 5.229}
{0 CHEMBL325126,1 1,19 1,26 1,52 5.252}
{0 CHEMBL326276,1 1,19 1,26 1,52 4.523}
{0 CHEMBL326939,1 1,19 1,26 1,52 4.959}
{0 CHEMBL348944,1 1,15 1,52 6.357}
{0 CHEMBL349123,1 1,42 1,52 4.301}
{0 CHEMBL349236,1 1,24 1,35 1,52 4.886}
{0 CHEMBL349461,1 1,35 1,52 4.921}
{0 CHEMBL349659,1 1,35 1,52 4.886}
{0 CHEMBL350593,1 1,52 4.796}
{0 CHEMBL351020,1 1,35 1,52 5.284}
{0 CHEMBL351439,1 1,52 5.854}
{0 CHEMBL352277,1 1,52 6.337}
{0 CHEMBL352783,1 1,24 1,35 1,52 5.131}
{0 CHEMBL352900,1 1,52 5.051}
{0 CHEMBL352911,1 1,52 4.62}
{0 CHEMBL353453,1 1,49 1,52 4.469}
{0 CHEMBL353549,1 1,16 1,38 1,39 1,43 1,52 6}
{0 CHEMBL353754,1 1,52 5.046}
{0 CHEMBL354354,1 1,35 1,52 4.301}
{0 CHEMBL354813,1 1,24 1,35 1,50 1,52 6.409}
{0 CHEMBL354874,1 1,25 1,52 5.699}
{0 CHEMBL355048,1 1,52 5.921}
{0 CHEMBL355076,1 1,52 4.301}
{0 CHEMBL363650,1 1,32 1,34 1,42 1,52 6.1}
{0 CHEMBL363651,1 1,32 1,34 1,42 1,52 4.5}
{0 CHEMBL364026,1 1,32 1,34 1,35 1,42 1,52 5.2}
{0 CHEMBL366015,1 1,32 1,34 1,42 1,52 4.5}
{0 CHEMBL366016,1 1,32 1,34 1,42 1,52 4.6}
{0 CHEMBL367415,1 1,2 1,6 1,24 1,52 6.959}
{0 CHEMBL368589,1 1,13 1,15 1,24 1,38 1,39 1,52 5}
{0 CHEMBL370243,1 1,32 1,34 1,42 1,52 4.6}
{0 CHEMBL372008,1 1,32 1,34 1,42 1,52 4}
{0 CHEMBL372230,1 1,32 1,34 1,42 1,52 4.4}
{0 CHEMBL372382,1 1,32 1,34 1,42 1,52 5.2}
{0 CHEMBL372927,1 1,32 1,34 1,42 1,52 5.3}
{0 CHEMBL409509,1 1,42 1,52 5.469}
{0 CHEMBL411714,1 1,52 5.244}
{0 CHEMBL419065,1 1,15 1,34 1,52 4.886}
{0 CHEMBL424014,1 1,24 1,35 1,52 4.854}
{0 CHEMBL424194,1 1,52 5.921}
{0 CHEMBL430270,1 1,15 1,52 4}
{0 CHEMBL433526,1 1,52 5.699}
{0 CHEMBL433963,1 1,32 1,34 1,42 1,52 4}
{0 CHEMBL434083,1 1,42 1,52 5.276}
{0 CHEMBL434726,1 1,32 1,34 1,42 1,52 4.7}
{0 CHEMBL435648,1 1,52 5.678}
{0 CHEMBL435857,1 1,35 1,52 6.125}
{0 CHEMBL436098,1 1,32 1,34 1,42 1,49 1,52 5}
{0 CHEMBL444346,1 1,52 5.77}
{0 CHEMBL445891,1 1,15 1,52 4}
{0 CHEMBL446360,1 1,2 1,52 6.456}
{0 CHEMBL66065,1 1,15 1,52 4}
{0 CHEMBL68034,1 1,15 1,52 6.046}
{0 CHEMBL68035,1 1,15 1,52 5.62}
{0 CHEMBL68089,1 1,15 1,34 1,52 4.854}
{0 CHEMBL68314,1 1,15 1,52 4.745}
{0 CHEMBL68725,1 1,15 1,52 4}
{0 CHEMBL69077,1 1,52 5.523}
{0 CHEMBL69220,1 1,15 1,52 4.959}
{0 CHEMBL69987,1 1,15 1,52 4.237}
{0 CHEMBL71391,1 1,15 1,52 4.569}