@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4016

@attribute molecule_id {CHEMBL105076,CHEMBL1094129,CHEMBL1097939,CHEMBL120808,CHEMBL121191,CHEMBL121388,CHEMBL1214201,CHEMBL1214202,CHEMBL1214203,CHEMBL1214204,CHEMBL1214205,CHEMBL1214259,CHEMBL1214260,CHEMBL1214261,CHEMBL1214262,CHEMBL1214263,CHEMBL1214334,CHEMBL1214335,CHEMBL1214336,CHEMBL1214337,CHEMBL1214338,CHEMBL1214394,CHEMBL1214395,CHEMBL1214396,CHEMBL1214397,CHEMBL1214398,CHEMBL1214399,CHEMBL1214447,CHEMBL1214448,CHEMBL1214449,CHEMBL1214450,CHEMBL1214451,CHEMBL1214452,CHEMBL121553,CHEMBL121915,CHEMBL122005,CHEMBL122656,CHEMBL1230591,CHEMBL123132,CHEMBL1232932,CHEMBL1234887,CHEMBL1277180,CHEMBL1277272,CHEMBL1289062,CHEMBL1289063,CHEMBL1289179,CHEMBL1289180,CHEMBL1289181,CHEMBL1289293,CHEMBL1289294,CHEMBL1289408,CHEMBL1289409,CHEMBL1289410,CHEMBL1289523,CHEMBL1289960,CHEMBL1290058,CHEMBL1290059,CHEMBL1290165,CHEMBL1290166,CHEMBL1290275,CHEMBL1290276,CHEMBL1290391,CHEMBL1290392,CHEMBL1290503,CHEMBL1290504,CHEMBL1290612,CHEMBL1290613,CHEMBL1290731,CHEMBL1290732,CHEMBL13378,CHEMBL14935,CHEMBL154535,CHEMBL154700,CHEMBL1594422,CHEMBL1642150,CHEMBL1642152,CHEMBL1642153,CHEMBL1642154,CHEMBL1642155,CHEMBL1642156,CHEMBL1642157,CHEMBL1642158,CHEMBL1642159,CHEMBL1642160,CHEMBL1642161,CHEMBL1642162,CHEMBL1642163,CHEMBL1642164,CHEMBL1642165,CHEMBL1642166,CHEMBL1642167,CHEMBL1642168,CHEMBL1642169,CHEMBL1642170,CHEMBL1642171,CHEMBL1642172,CHEMBL1649653,CHEMBL1649654,CHEMBL1649655,CHEMBL1649656,CHEMBL1649657,CHEMBL1649658,CHEMBL1649659,CHEMBL1649660,CHEMBL1649661,CHEMBL1649662,CHEMBL1649663,CHEMBL1649664,CHEMBL1649665,CHEMBL1649666,CHEMBL1649667,CHEMBL1649668,CHEMBL1649669,CHEMBL1649670,CHEMBL1649671,CHEMBL1649672,CHEMBL1649673,CHEMBL1649674,CHEMBL1649675,CHEMBL1649676,CHEMBL1649677,CHEMBL1649678,CHEMBL1649679,CHEMBL1649680,CHEMBL1649681,CHEMBL1649682,CHEMBL1649683,CHEMBL1649684,CHEMBL1649685,CHEMBL1835336,CHEMBL187941,CHEMBL189721,CHEMBL189985,CHEMBL191249,CHEMBL193087,CHEMBL2092841,CHEMBL213197,CHEMBL214599,CHEMBL214804,CHEMBL214833,CHEMBL214834,CHEMBL214844,CHEMBL214903,CHEMBL215013,CHEMBL215090,CHEMBL215255,CHEMBL215272,CHEMBL215574,CHEMBL215575,CHEMBL215877,CHEMBL217074,CHEMBL217111,CHEMBL218347,CHEMBL222519,CHEMBL262219,CHEMBL267450,CHEMBL274226,CHEMBL275040,CHEMBL276815,CHEMBL298800,CHEMBL299180,CHEMBL301536,CHEMBL317790,CHEMBL331644,CHEMBL331696,CHEMBL333964,CHEMBL346524,CHEMBL370038,CHEMBL370941,CHEMBL372643,CHEMBL373428,CHEMBL373429,CHEMBL379442,CHEMBL384010,CHEMBL384175,CHEMBL384271,CHEMBL384402,CHEMBL384847,CHEMBL384953,CHEMBL385220,CHEMBL385384,CHEMBL385502,CHEMBL385608,CHEMBL385652,CHEMBL385704,CHEMBL387045,CHEMBL387304,CHEMBL388746,CHEMBL402444,CHEMBL429594,CHEMBL435582,CHEMBL462490,CHEMBL506543,CHEMBL51660,CHEMBL575060,CHEMBL58590,CHEMBL59284,CHEMBL61593,CHEMBL63417,CHEMBL72366,CHEMBL73698,CHEMBL76232}
@attribute FCFP4_1024b827 numeric
@attribute FCFP4_1024b265 numeric
@attribute FCFP4_1024b215 numeric
@attribute FCFP4_1024b849 numeric
@attribute FCFP4_1024b504 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 pXC50 numeric

@data
{6 1,40 1,52 6.284}
{0 CHEMBL1094129,6 1,39 1,52 4.367}
{0 CHEMBL1097939,6 1,7 1,52 5.842}
{0 CHEMBL120808,6 1,12 1,52 6.429}
{0 CHEMBL121191,6 1,52 6.939}
{0 CHEMBL121388,6 1,52 7.275}
{0 CHEMBL1214201,6 1,40 1,52 6.4}
{0 CHEMBL1214202,6 1,11 1,40 1,52 6.1}
{0 CHEMBL1214203,6 1,7 1,11 1,52 5.1}
{0 CHEMBL1214204,6 1,7 1,11 1,52 4.3}
{0 CHEMBL1214205,6 1,11 1,52 4.3}
{0 CHEMBL1214259,6 1,11 1,52 5.2}
{0 CHEMBL1214260,6 1,11 1,40 1,52 4.7}
{0 CHEMBL1214261,6 1,11 1,40 1,52 4.3}
{0 CHEMBL1214262,6 1,11 1,28 1,52 4.9}
{0 CHEMBL1214263,6 1,11 1,40 1,52 5.6}
{0 CHEMBL1214334,6 1,11 1,52 5.9}
{0 CHEMBL1214335,6 1,7 1,11 1,52 6.4}
{0 CHEMBL1214336,6 1,11 1,52 4.8}
{0 CHEMBL1214337,6 1,11 1,52 4.8}
{0 CHEMBL1214338,6 1,11 1,52 5.3}
{0 CHEMBL1214394,6 1,11 1,52 4.5}
{0 CHEMBL1214395,3 1,6 1,7 1,11 1,52 4.2}
{0 CHEMBL1214396,6 1,11 1,52 4.7}
{0 CHEMBL1214397,6 1,11 1,52 5.5}
{0 CHEMBL1214398,6 1,11 1,52 4.5}
{0 CHEMBL1214399,6 1,11 1,52 5.395}
{0 CHEMBL1214447,6 1,11 1,52 5.7}
{0 CHEMBL1214448,6 1,11 1,52 5.2}
{0 CHEMBL1214449,6 1,11 1,52 5.5}
{0 CHEMBL1214450,6 1,11 1,52 4.7}
{0 CHEMBL1214451,6 1,11 1,52 5.1}
{0 CHEMBL1214452,6 1,11 1,52 5.7}
{0 CHEMBL121553,6 1,12 1,52 6.996}
{0 CHEMBL121915,6 1,52 6.754}
{0 CHEMBL122005,6 1,52 6.047}
{0 CHEMBL122656,6 1,12 1,52 6.336}
{0 CHEMBL1230591,6 1,29 1,52 6}
{0 CHEMBL123132,6 1,52 6.334}
{0 CHEMBL1232932,6 1,29 1,52 6.3}
{0 CHEMBL1234887,1 1,6 1,36 1,40 1,52 6.1}
{0 CHEMBL1277180,6 1,7 1,52 5.796}
{0 CHEMBL1277272,6 1,11 1,21 1,52 5}
{0 CHEMBL1289062,6 1,7 1,52 5.301}
{0 CHEMBL1289063,6 1,52 5.398}
{0 CHEMBL1289179,6 1,7 1,52 4.699}
{0 CHEMBL1289180,6 1,7 1,21 1,52 5.495}
{0 CHEMBL1289181,6 1,7 1,52 6.301}
{0 CHEMBL1289293,6 1,11 1,52 7}
{0 CHEMBL1289294,6 1,52 6.523}
{0 CHEMBL1289408,6 1,52 6.523}
{0 CHEMBL1289409,6 1,52 6.523}
{0 CHEMBL1289410,6 1,52 6.523}
{0 CHEMBL1289523,6 1,21 1,52 6.398}
{0 CHEMBL1289960,6 1,7 1,40 1,52 6.523}
{0 CHEMBL1290058,6 1,7 1,40 1,52 5.796}
{0 CHEMBL1290059,6 1,7 1,40 1,52 5.201}
{0 CHEMBL1290165,6 1,40 1,52 5.301}
{0 CHEMBL1290166,6 1,7 1,52 5.301}
{0 CHEMBL1290275,6 1,7 1,52 5.102}
{0 CHEMBL1290276,6 1,7 1,52 4.699}
{0 CHEMBL1290391,6 1,7 1,52 5.208}
{0 CHEMBL1290392,6 1,7 1,11 1,52 5.301}
{0 CHEMBL1290503,6 1,7 1,40 1,52 5.398}
{0 CHEMBL1290504,6 1,7 1,11 1,52 5.201}
{0 CHEMBL1290612,1 1,6 1,7 1,11 1,52 4.1}
{0 CHEMBL1290613,6 1,7 1,52 5.602}
{0 CHEMBL1290731,6 1,7 1,52 5.398}
{0 CHEMBL1290732,6 1,7 1,52 5.602}
{0 CHEMBL13378,6 1,52 7.77}
{0 CHEMBL14935,6 1,52 5.576}
{0 CHEMBL154535,6 1,52 6.967}
{0 CHEMBL154700,6 1,20 1,40 1,52 4}
{0 CHEMBL1594422,3 1,6 1,52 4.6}
{0 CHEMBL1642150,1 1,6 1,40 1,52 6.4}
{0 CHEMBL1642152,3 1,6 1,52 4.5}
{0 CHEMBL1642153,6 1,29 1,44 1,52 5.9}
{0 CHEMBL1642154,6 1,29 1,52 5.9}
{0 CHEMBL1642155,6 1,29 1,52 7}
{0 CHEMBL1642156,6 1,29 1,52 5.9}
{0 CHEMBL1642157,6 1,29 1,36 1,52 5.8}
{0 CHEMBL1642158,6 1,29 1,52 5.4}
{0 CHEMBL1642159,6 1,29 1,52 5.9}
{0 CHEMBL1642160,1 1,5 1,6 1,29 1,52 6.1}
{0 CHEMBL1642161,6 1,29 1,52 6.4}
{0 CHEMBL1642162,6 1,29 1,52 5.3}
{0 CHEMBL1642163,6 1,29 1,52 5.6}
{0 CHEMBL1642164,6 1,29 1,52 5.6}
{0 CHEMBL1642165,6 1,7 1,29 1,52 6}
{0 CHEMBL1642166,6 1,29 1,52 6.4}
{0 CHEMBL1642167,6 1,29 1,52 5.1}
{0 CHEMBL1642168,6 1,29 1,52 7}
{0 CHEMBL1642169,6 1,29 1,52 6.8}
{0 CHEMBL1642170,6 1,29 1,52 6.3}
{0 CHEMBL1642171,6 1,29 1,52 5.7}
{0 CHEMBL1642172,6 1,29 1,52 5.9}
{0 CHEMBL1649653,3 1,6 1,52 4}
{0 CHEMBL1649654,3 1,6 1,52 4.4}
{0 CHEMBL1649655,3 1,6 1,7 1,52 4.7}
{0 CHEMBL1649656,3 1,6 1,52 4.7}
{0 CHEMBL1649657,3 1,6 1,13 1,52 4.7}
{0 CHEMBL1649658,3 1,6 1,52 4.7}
{0 CHEMBL1649659,3 1,6 1,52 5}
{0 CHEMBL1649660,3 1,6 1,52 4.8}
{0 CHEMBL1649661,3 1,6 1,52 4.5}
{0 CHEMBL1649662,3 1,6 1,52 4.5}
{0 CHEMBL1649663,3 1,6 1,10 1,52 5.7}
{0 CHEMBL1649664,3 1,6 1,10 1,52 5.5}
{0 CHEMBL1649665,3 1,6 1,52 4.2}
{0 CHEMBL1649666,3 1,6 1,52 4.6}
{0 CHEMBL1649667,3 1,6 1,52 4.5}
{0 CHEMBL1649668,3 1,6 1,52 4.5}
{0 CHEMBL1649669,3 1,6 1,10 1,52 5.9}
{0 CHEMBL1649670,3 1,6 1,28 1,52 6}
{0 CHEMBL1649671,3 1,6 1,52 5.7}
{0 CHEMBL1649672,3 1,6 1,38 1,52 5.6}
{0 CHEMBL1649673,3 1,6 1,47 1,52 5.9}
{0 CHEMBL1649674,3 1,6 1,28 1,52 6}
{0 CHEMBL1649675,3 1,6 1,52 5.4}
{0 CHEMBL1649676,3 1,6 1,52 5.1}
{0 CHEMBL1649677,3 1,6 1,7 1,44 1,52 4.7}
{0 CHEMBL1649678,3 1,6 1,52 5}
{0 CHEMBL1649679,3 1,6 1,52 5}
{0 CHEMBL1649680,3 1,6 1,7 1,52 5}
{0 CHEMBL1649681,3 1,6 1,28 1,52 5}
{0 CHEMBL1649682,3 1,6 1,28 1,52 4.7}
{0 CHEMBL1649683,3 1,6 1,52 4}
{0 CHEMBL1649684,3 1,6 1,28 1,52 5.3}
{0 CHEMBL1649685,3 1,6 1,7 1,28 1,52 4.4}
{0 CHEMBL1835336,6 1,52 5.502}
{0 CHEMBL187941,6 1,40 1,52 4}
{0 CHEMBL189721,6 1,52 4}
{0 CHEMBL189985,6 1,52 5.083}
{0 CHEMBL191249,6 1,40 1,52 5.259}
{0 CHEMBL193087,6 1,52 3}
{0 CHEMBL2092841,6 1,52 6.306}
{0 CHEMBL213197,2 1,6 1,7 1,8 1,52 6.51}
{0 CHEMBL214599,1 1,2 1,4 1,5 1,6 1,7 1,52 5.985}
{0 CHEMBL214804,1 1,2 1,4 1,5 1,6 1,7 1,11 1,52 6.207}
{0 CHEMBL214833,1 1,2 1,6 1,7 1,8 1,52 6.666}
{0 CHEMBL214834,1 1,2 1,6 1,7 1,8 1,52 6.636}
{0 CHEMBL214844,1 1,2 1,4 1,5 1,6 1,7 1,52 5.783}
{0 CHEMBL214903,1 1,2 1,4 1,5 1,6 1,7 1,52 6.287}
{0 CHEMBL215013,1 1,2 1,4 1,5 1,6 1,7 1,52 6.299}
{0 CHEMBL215090,1 1,2 1,4 1,5 1,6 1,7 1,52 7.37}
{0 CHEMBL215255,1 1,2 1,4 1,5 1,6 1,7 1,52 6.221}
{0 CHEMBL215272,1 1,2 1,4 1,5 1,6 1,7 1,52 6.46}
{0 CHEMBL215574,1 1,2 1,4 1,5 1,6 1,7 1,52 5.827}
{0 CHEMBL215575,1 1,2 1,4 1,5 1,6 1,7 1,52 6.9}
{0 CHEMBL215877,1 1,2 1,4 1,5 1,6 1,7 1,11 1,52 5.671}
{0 CHEMBL217074,1 1,2 1,4 1,5 1,6 1,7 1,52 6.388}
{0 CHEMBL217111,1 1,2 1,6 1,7 1,8 1,52 5.743}
{0 CHEMBL218347,2 1,6 1,7 1,8 1,52 5.545}
{0 CHEMBL222519,6 1,52 6.632}
{0 CHEMBL262219,2 1,5 1,6 1,7 1,52 5.523}
{0 CHEMBL267450,6 1,12 1,31 1,41 1,52 4}
{0 CHEMBL274226,6 1,20 1,52 4}
{0 CHEMBL275040,6 1,32 1,52 4.914}
{0 CHEMBL276815,6 1,52 6.971}
{0 CHEMBL298800,6 1,45 1,52 4.348}
{0 CHEMBL299180,6 1,45 1,52 5.432}
{0 CHEMBL301536,6 1,41 1,52 5}
{0 CHEMBL317790,6 1,52 2.5}
{0 CHEMBL331644,6 1,12 1,52 7.714}
{0 CHEMBL331696,6 1,12 1,52 7.777}
{0 CHEMBL333964,6 1,52 6.996}
{0 CHEMBL346524,6 1,20 1,40 1,52 4}
{0 CHEMBL370038,6 1,52 8.41}
{0 CHEMBL370941,3 1,6 1,52 4.292}
{0 CHEMBL372643,6 1,52 3.1}
{0 CHEMBL373428,6 1,25 1,52 4}
{0 CHEMBL373429,6 1,25 1,52 4}
{0 CHEMBL379442,6 1,25 1,52 4}
{0 CHEMBL384010,2 1,5 1,6 1,7 1,8 1,52 6.172}
{0 CHEMBL384175,2 1,6 1,7 1,8 1,52 5.523}
{0 CHEMBL384271,1 1,2 1,4 1,5 1,6 1,7 1,52 7.263}
{0 CHEMBL384402,1 1,2 1,4 1,5 1,6 1,7 1,52 7.319}
{0 CHEMBL384847,1 1,2 1,4 1,5 1,6 1,7 1,52 7.112}
{0 CHEMBL384953,1 1,2 1,4 1,5 1,6 1,7 1,52 6.403}
{0 CHEMBL385220,2 1,5 1,6 1,7 1,52 6.325}
{0 CHEMBL385384,1 1,2 1,4 1,5 1,6 1,7 1,52 6.403}
{0 CHEMBL385502,2 1,6 1,7 1,8 1,52 5.523}
{0 CHEMBL385608,1 1,2 1,4 1,5 1,6 1,7 1,52 6.694}
{0 CHEMBL385652,1 1,2 1,4 1,5 1,6 1,7 1,52 6.428}
{0 CHEMBL385704,2 1,5 1,6 1,7 1,52 5.523}
{0 CHEMBL387045,2 1,5 1,6 1,7 1,52 5.523}
{0 CHEMBL387304,2 1,6 1,7 1,8 1,52 5.779}
{0 CHEMBL388746,6 1,52 2.5}
{0 CHEMBL402444,6 1,39 1,52 6.453}
{0 CHEMBL429594,6 1,39 1,52 6.528}
{0 CHEMBL435582,6 1,7 1,52 5.781}
{0 CHEMBL462490,6 1,40 1,52 5.119}
{0 CHEMBL506543,2 1,6 1,40 1,52 6}
{0 CHEMBL51660,6 1,44 1,52 5.434}
{0 CHEMBL575060,6 1,52 5.434}
{0 CHEMBL58590,6 1,41 1,52 5}
{0 CHEMBL59284,6 1,41 1,52 5}
{0 CHEMBL61593,6 1,29 1,32 1,40 1,52 4}
{0 CHEMBL63417,6 1,52 6.284}
{0 CHEMBL72366,6 1,39 1,52 5.77}
{0 CHEMBL73698,6 1,39 1,52 5.268}
{0 CHEMBL76232,6 1,52 6.027}