@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL401

@attribute molecule_id {CHEMBL104834,CHEMBL112037,CHEMBL112124,CHEMBL112386,CHEMBL112474,CHEMBL113936,CHEMBL114514,CHEMBL114610,CHEMBL114667,CHEMBL1169564,CHEMBL1169565,CHEMBL117533,CHEMBL119554,CHEMBL12358,CHEMBL12448,CHEMBL12510,CHEMBL126035,CHEMBL12696,CHEMBL12730,CHEMBL12761,CHEMBL12989,CHEMBL13076,CHEMBL131244,CHEMBL131567,CHEMBL13378,CHEMBL138458,CHEMBL138809,CHEMBL141209,CHEMBL147585,CHEMBL164669,CHEMBL172807,CHEMBL173092,CHEMBL176910,CHEMBL19576,CHEMBL21323,CHEMBL21477,CHEMBL21484,CHEMBL21830,CHEMBL22133,CHEMBL222519,CHEMBL23255,CHEMBL268284,CHEMBL268709,CHEMBL273675,CHEMBL275334,CHEMBL275528,CHEMBL276815,CHEMBL277411,CHEMBL281568,CHEMBL283377,CHEMBL283378,CHEMBL283819,CHEMBL284028,CHEMBL28564,CHEMBL288166,CHEMBL288469,CHEMBL293491,CHEMBL302321,CHEMBL304550,CHEMBL304964,CHEMBL305534,CHEMBL306450,CHEMBL307113,CHEMBL307988,CHEMBL31344,CHEMBL318424,CHEMBL319706,CHEMBL323335,CHEMBL324392,CHEMBL325124,CHEMBL330175,CHEMBL330958,CHEMBL332242,CHEMBL335231,CHEMBL337030,CHEMBL349384,CHEMBL349413,CHEMBL356782,CHEMBL366809,CHEMBL367030,CHEMBL38085,CHEMBL38634,CHEMBL38904,CHEMBL39900,CHEMBL40424,CHEMBL414875,CHEMBL41830,CHEMBL418745,CHEMBL42033,CHEMBL427116,CHEMBL42842,CHEMBL431343,CHEMBL432826,CHEMBL441269,CHEMBL442106,CHEMBL442165,CHEMBL44566,CHEMBL46,CHEMBL49623,CHEMBL50029,CHEMBL50239,CHEMBL51630,CHEMBL52372,CHEMBL524338,CHEMBL524886,CHEMBL525025,CHEMBL525783,CHEMBL526324,CHEMBL53325,CHEMBL54020,CHEMBL54778,CHEMBL56155,CHEMBL56643,CHEMBL56702,CHEMBL58826,CHEMBL58992,CHEMBL67637,CHEMBL68100,CHEMBL68156,CHEMBL69034,CHEMBL70749,CHEMBL70943,CHEMBL71049,CHEMBL71137,CHEMBL71302,CHEMBL71834,CHEMBL72366,CHEMBL73698,CHEMBL771,CHEMBL79904,CHEMBL807,CHEMBL83781,CHEMBL85879,CHEMBL93817,CHEMBL93873,CHEMBL94519,CHEMBL94717,CHEMBL94987,CHEMBL96281,CHEMBL96421,CHEMBL96744,CHEMBL97404,CHEMBL99012}
@attribute FCFP4_1024b771 numeric
@attribute FCFP4_1024b557 numeric
@attribute FCFP4_1024b177 numeric
@attribute FCFP4_1024b532 numeric
@attribute FCFP4_1024b89 numeric
@attribute FCFP4_1024b438 numeric
@attribute FCFP4_1024b538 numeric
@attribute FCFP4_1024b531 numeric
@attribute FCFP4_1024b875 numeric
@attribute FCFP4_1024b537 numeric
@attribute FCFP4_1024b793 numeric
@attribute FCFP4_1024b904 numeric
@attribute FCFP4_1024b584 numeric
@attribute FCFP4_1024b397 numeric
@attribute FCFP4_1024b880 numeric
@attribute FCFP4_1024b135 numeric
@attribute FCFP4_1024b877 numeric
@attribute FCFP4_1024b1019 numeric
@attribute FCFP4_1024b459 numeric
@attribute FCFP4_1024b745 numeric
@attribute FCFP4_1024b352 numeric
@attribute FCFP4_1024b259 numeric
@attribute FCFP4_1024b138 numeric
@attribute FCFP4_1024b79 numeric
@attribute FCFP4_1024b911 numeric
@attribute FCFP4_1024b264 numeric
@attribute FCFP4_1024b809 numeric
@attribute FCFP4_1024b363 numeric
@attribute FCFP4_1024b672 numeric
@attribute FCFP4_1024b482 numeric
@attribute FCFP4_1024b643 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 pXC50 numeric

@data
{32 1,33 1,52 5.162}
{0 CHEMBL112037,32 1,33 1,52 5}
{0 CHEMBL112124,32 1,33 1,52 5}
{0 CHEMBL112386,6 1,42 1,52 4}
{0 CHEMBL112474,32 1,33 1,52 5}
{0 CHEMBL113936,16 1,17 1,18 1,19 1,32 1,33 1,52 4}
{0 CHEMBL114514,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL114610,42 1,52 5.678}
{0 CHEMBL114667,16 1,17 1,19 1,32 1,33 1,52 7.009}
{0 CHEMBL1169564,29 1,32 1,33 1,52 5.585}
{0 CHEMBL1169565,29 1,32 1,33 1,52 5.495}
{0 CHEMBL117533,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL119554,21 1,32 1,52 4.292}
{0 CHEMBL12358,10 1,11 1,12 1,13 1,14 1,15 1,20 1,22 1,23 1,24 1,25 1,26 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL12448,10 1,11 1,12 1,13 1,20 1,22 1,23 1,24 1,25 1,29 1,32 1,52 5.097}
{0 CHEMBL12510,10 1,11 1,12 1,13 1,14 1,15 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL126035,32 1,42 1,52 4.959}
{0 CHEMBL12696,10 1,11 1,12 1,13 1,14 1,15 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL12730,10 1,11 1,12 1,52 5}
{0 CHEMBL12761,10 1,11 1,12 1,13 1,14 1,15 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL12989,10 1,11 1,12 1,13 1,14 1,15 1,20 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL13076,10 1,11 1,12 1,13 1,14 1,15 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL131244,32 1,52 4.733}
{0 CHEMBL131567,2 1,32 1,52 6.125}
{0 CHEMBL13378,32 1,52 4}
{0 CHEMBL138458,32 1,33 1,52 5}
{0 CHEMBL138809,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL141209,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL147585,2 1,3 1,32 1,33 1,52 6.432}
{0 CHEMBL164669,20 1,23 1,24 1,25 1,29 1,32 1,52 4}
{0 CHEMBL172807,16 1,17 1,18 1,19 1,32 1,33 1,52 6.636}
{0 CHEMBL173092,16 1,17 1,18 1,19 1,32 1,33 1,52 6.222}
{0 CHEMBL176910,9 1,32 1,52 4}
{0 CHEMBL19576,32 1,33 1,52 4}
{0 CHEMBL21323,26 1,32 1,33 1,52 5.086}
{0 CHEMBL21477,32 1,52 4.523}
{0 CHEMBL21484,32 1,52 5.602}
{0 CHEMBL21830,32 1,52 5.119}
{0 CHEMBL22133,32 1,52 4.77}
{0 CHEMBL222519,32 1,52 4.481}
{0 CHEMBL23255,32 1,52 5.495}
{0 CHEMBL268284,10 1,11 1,12 1,13 1,20 1,22 1,23 1,24 1,25 1,29 1,32 1,52 4.602}
{0 CHEMBL268709,10 1,11 1,12 1,14 1,15 1,21 1,26 1,27 1,28 1,32 1,52 4.523}
{0 CHEMBL273675,10 1,11 1,12 1,13 1,14 1,15 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL275334,10 1,11 1,12 1,13 1,14 1,15 1,20 1,22 1,23 1,24 1,25 1,26 1,28 1,29 1,32 1,52 4.523}
{0 CHEMBL275528,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 6.249}
{0 CHEMBL276815,32 1,52 4}
{0 CHEMBL277411,32 1,36 1,41 1,52 5.796}
{0 CHEMBL281568,32 1,52 5.056}
{0 CHEMBL283377,32 1,33 1,52 4.77}
{0 CHEMBL283378,32 1,33 1,52 4.921}
{0 CHEMBL283819,2 1,32 1,52 6.187}
{0 CHEMBL284028,42 1,52 4}
{0 CHEMBL28564,16 1,17 1,19 1,32 1,33 1,52 6}
{0 CHEMBL288166,32 1,52 5.155}
{0 CHEMBL288469,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 5.481}
{0 CHEMBL293491,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL302321,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 8.155}
{0 CHEMBL304550,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 6.636}
{0 CHEMBL304964,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 6.943}
{0 CHEMBL305534,10 1,11 1,12 1,13 1,20 1,23 1,24 1,25 1,29 1,32 1,52 4.523}
{0 CHEMBL306450,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 7.481}
{0 CHEMBL307113,1 1,2 1,3 1,4 1,5 1,6 1,8 1,32 1,33 1,52 7.921}
{0 CHEMBL307988,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 7.092}
{0 CHEMBL31344,32 1,52 5.569}
{0 CHEMBL318424,16 1,17 1,19 1,32 1,33 1,52 4.42}
{0 CHEMBL319706,16 1,17 1,19 1,32 1,33 1,52 7.26}
{0 CHEMBL323335,52 6.398}
{0 CHEMBL324392,32 1,33 1,52 5.044}
{0 CHEMBL325124,6 1,42 1,52 4}
{0 CHEMBL330175,10 1,11 1,12 1,13 1,20 1,23 1,24 1,25 1,29 1,32 1,52 5.921}
{0 CHEMBL330958,32 1,52 5.638}
{0 CHEMBL332242,32 1,52 5}
{0 CHEMBL335231,2 1,19 1,32 1,52 5.602}
{0 CHEMBL337030,2 1,8 1,32 1,52 5.456}
{0 CHEMBL349384,32 1,52 4}
{0 CHEMBL349413,23 1,24 1,25 1,29 1,32 1,52 4}
{0 CHEMBL356782,21 1,32 1,52 4.409}
{0 CHEMBL366809,18 1,32 1,33 1,52 7.398}
{0 CHEMBL367030,9 1,32 1,52 4}
{0 CHEMBL38085,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL38634,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL38904,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL39900,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL40424,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 6.086}
{0 CHEMBL414875,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,45 1,52 7.036}
{0 CHEMBL41830,30 1,31 1,32 1,33 1,52 5}
{0 CHEMBL418745,2 1,3 1,32 1,33 1,52 5.071}
{0 CHEMBL42033,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 5.167}
{0 CHEMBL427116,16 1,17 1,18 1,19 1,32 1,33 1,52 6.955}
{0 CHEMBL42842,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 5.668}
{0 CHEMBL431343,32 1,44 1,52 5.672}
{0 CHEMBL432826,32 1,33 1,52 4.444}
{0 CHEMBL441269,16 1,17 1,19 1,32 1,33 1,52 4.097}
{0 CHEMBL442106,26 1,28 1,32 1,52 6.046}
{0 CHEMBL442165,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL44566,4 1,5 1,7 1,8 1,9 1,32 1,33 1,52 6.77}
{0 CHEMBL46,32 1,52 5}
{0 CHEMBL49623,16 1,17 1,19 1,32 1,33 1,52 6.58}
{0 CHEMBL50029,2 1,30 1,31 1,32 1,33 1,52 5.074}
{0 CHEMBL50239,32 1,33 1,37 1,52 5.079}
{0 CHEMBL51630,32 1,52 4.69}
{0 CHEMBL52372,32 1,52 4.602}
{0 CHEMBL524338,32 1,52 5}
{0 CHEMBL524886,3 1,32 1,52 5.155}
{0 CHEMBL525025,32 1,52 6}
{0 CHEMBL525783,8 1,32 1,52 5}
{0 CHEMBL526324,8 1,32 1,52 5}
{0 CHEMBL53325,32 1,33 1,52 4.033}
{0 CHEMBL54020,30 1,31 1,32 1,33 1,52 5.41}
{0 CHEMBL54778,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL56155,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL56643,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL56702,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL58826,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL58992,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL67637,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 6.551}
{0 CHEMBL68100,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 6.489}
{0 CHEMBL68156,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 6.375}
{0 CHEMBL69034,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,28 1,32 1,33 1,52 8.222}
{0 CHEMBL70749,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 5.066}
{0 CHEMBL70943,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 6.221}
{0 CHEMBL71049,32 1,33 1,52 4.604}
{0 CHEMBL71137,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 6.135}
{0 CHEMBL71302,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,32 1,33 1,52 7.432}
{0 CHEMBL71834,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,18 1,32 1,33 1,52 7.252}
{0 CHEMBL72366,32 1,52 4.745}
{0 CHEMBL73698,32 1,52 4.469}
{0 CHEMBL771,32 1,52 4.742}
{0 CHEMBL79904,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL807,32 1,52 6.155}
{0 CHEMBL83781,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL85879,32 1,33 1,52 5}
{0 CHEMBL93817,16 1,17 1,19 1,32 1,33 1,35 1,52 4}
{0 CHEMBL93873,16 1,17 1,19 1,32 1,33 1,52 4.155}
{0 CHEMBL94519,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL94717,16 1,17 1,19 1,32 1,33 1,35 1,52 4}
{0 CHEMBL94987,16 1,17 1,19 1,32 1,33 1,52 4}
{0 CHEMBL96281,16 1,17 1,19 1,32 1,33 1,52 4.469}
{0 CHEMBL96421,32 1,33 1,52 4}
{0 CHEMBL96744,32 1,33 1,52 5.301}
{0 CHEMBL97404,16 1,17 1,19 1,32 1,33 1,52 4.252}
{0 CHEMBL99012,10 1,11 1,12 1,13 1,20 1,23 1,24 1,25 1,29 1,32 1,52 4.523}