"molecule_id","FCFP4_1024b420","FCFP4_1024b162","FCFP4_1024b1","FCFP4_1024b10","FCFP4_1024b100","FCFP4_1024b1000","FCFP4_1024b1001","FCFP4_1024b1002","FCFP4_1024b1003","FCFP4_1024b1004","FCFP4_1024b1005","FCFP4_1024b1006","FCFP4_1024b1007","FCFP4_1024b1008","FCFP4_1024b1009","FCFP4_1024b101","FCFP4_1024b1010","FCFP4_1024b1011","FCFP4_1024b1012","FCFP4_1024b1013","FCFP4_1024b1014","FCFP4_1024b1015","FCFP4_1024b1016","FCFP4_1024b1017","FCFP4_1024b1018","FCFP4_1024b1019","FCFP4_1024b102","FCFP4_1024b1020","FCFP4_1024b1021","FCFP4_1024b1022","FCFP4_1024b1023","FCFP4_1024b1024","FCFP4_1024b103","FCFP4_1024b104","FCFP4_1024b105","FCFP4_1024b106","FCFP4_1024b107","FCFP4_1024b108","FCFP4_1024b109","FCFP4_1024b11","FCFP4_1024b110","FCFP4_1024b111","FCFP4_1024b112","FCFP4_1024b113","FCFP4_1024b114","FCFP4_1024b115","FCFP4_1024b116","FCFP4_1024b117","FCFP4_1024b118","FCFP4_1024b119","FCFP4_1024b12","FCFP4_1024b120","FCFP4_1024b121","FCFP4_1024b122","FCFP4_1024b123","FCFP4_1024b124","FCFP4_1024b125","FCFP4_1024b126","FCFP4_1024b127","FCFP4_1024b128","FCFP4_1024b129","FCFP4_1024b13","FCFP4_1024b130","FCFP4_1024b131","FCFP4_1024b132","FCFP4_1024b133","FCFP4_1024b134","FCFP4_1024b135","FCFP4_1024b136","FCFP4_1024b137","FCFP4_1024b138","FCFP4_1024b139","FCFP4_1024b14","FCFP4_1024b140","FCFP4_1024b141","FCFP4_1024b142","FCFP4_1024b143","FCFP4_1024b144","FCFP4_1024b145","FCFP4_1024b146","FCFP4_1024b147","FCFP4_1024b148","FCFP4_1024b149","FCFP4_1024b15","FCFP4_1024b150","FCFP4_1024b151","FCFP4_1024b152","FCFP4_1024b153","FCFP4_1024b154","FCFP4_1024b155","FCFP4_1024b156","FCFP4_1024b157","FCFP4_1024b158","FCFP4_1024b159","FCFP4_1024b16","FCFP4_1024b160","FCFP4_1024b161","FCFP4_1024b163","FCFP4_1024b164","FCFP4_1024b165","FCFP4_1024b166","FCFP4_1024b167","pXC50"
{3 1,28 1,37 1,103 5.523}
{0 CHEMBL13705,3 1,41 1,87 1,103 5.783}
{0 CHEMBL140448,3 1,28 1,66 1,103 5.398}
{0 CHEMBL142806,3 1,28 1,37 1,68 1,103 6.772}
{0 CHEMBL152172,3 1,28 1,103 4.745}
{0 CHEMBL153550,3 1,28 1,103 5.367}
{0 CHEMBL156308,3 1,4 1,28 1,37 1,103 4.585}
{0 CHEMBL156551,3 1,23 1,28 1,103 4}
{0 CHEMBL157230,3 1,28 1,37 1,53 1,103 5.276}
{0 CHEMBL157775,3 1,23 1,28 1,103 4}
{0 CHEMBL157857,3 1,23 1,28 1,37 1,103 4.066}
{0 CHEMBL158034,3 1,12 1,28 1,37 1,103 4.699}
{0 CHEMBL170101,3 1,28 1,37 1,68 1,103 6.658}
{0 CHEMBL17383,3 1,12 1,23 1,28 1,37 1,76 1,103 4.523}
{0 CHEMBL192632,1 1,3 1,23 1,28 1,103 7.745}
{0 CHEMBL205246,3 1,28 1,94 1,103 4.678}
{0 CHEMBL2158681,1 1,2 1,3 1,23 1,28 1,70 1,103 8.747}
{0 CHEMBL2158682,1 1,2 1,3 1,23 1,28 1,70 1,103 8.693}
{0 CHEMBL22344,3 1,28 1,66 1,103 5.886}
{0 CHEMBL225072,3 1,28 1,86 1,103 6.42}
{0 CHEMBL23872,3 1,28 1,68 1,103 4.699}
{0 CHEMBL23977,3 1,28 1,37 1,66 1,103 5.699}
{0 CHEMBL257691,3 1,41 1,87 1,103 6.222}
{0 CHEMBL25889,3 1,66 1,69 1,79 1,103 4.77}
{0 CHEMBL272112,3 1,41 1,87 1,103 5.745}
{0 CHEMBL273174,3 1,41 1,87 1,103 4}
{0 CHEMBL278515,3 1,23 1,28 1,76 1,103 4.523}
{0 CHEMBL279302,3 1,28 1,37 1,53 1,103 10.854}
{0 CHEMBL284013,1 1,3 1,28 1,103 4.602}
{0 CHEMBL285232,3 1,28 1,37 1,103 5.456}
{0 CHEMBL286459,3 1,28 1,66 1,72 1,103 4}
{0 CHEMBL287700,3 1,28 1,66 1,103 4.347}
{0 CHEMBL289923,3 1,28 1,37 1,68 1,103 5.319}
{0 CHEMBL290815,1 1,3 1,28 1,37 1,103 4.699}
{0 CHEMBL294768,3 1,28 1,37 1,103 6.854}
{0 CHEMBL29713,3 1,28 1,37 1,60 1,103 4.728}
{0 CHEMBL30301,3 1,26 1,28 1,37 1,103 5.215}
{0 CHEMBL30364,3 1,28 1,37 1,103 4.74}
{0 CHEMBL30842,3 1,28 1,103 5.585}
{0 CHEMBL309415,2 1,3 1,28 1,102 1,103 7.523}
{0 CHEMBL31027,3 1,28 1,37 1,77 1,103 4.284}
{0 CHEMBL31107,3 1,28 1,103 4}
{0 CHEMBL31176,3 1,28 1,37 1,103 5.509}
{0 CHEMBL315076,3 1,28 1,37 1,103 7.456}
{0 CHEMBL315627,1 1,2 1,3 1,28 1,102 1,103 7.495}
{0 CHEMBL31609,3 1,28 1,103 5.276}
{0 CHEMBL34259,3 1,28 1,103 4.699}
{0 CHEMBL350097,3 1,23 1,28 1,66 1,103 7.79}
{0 CHEMBL365307,1 1,3 1,23 1,28 1,103 8.167}
{0 CHEMBL36623,3 1,5 1,28 1,37 1,103 4.699}
{0 CHEMBL36639,1 1,3 1,28 1,37 1,53 1,103 4.699}
{0 CHEMBL36674,3 1,28 1,37 1,103 4.398}
{0 CHEMBL379094,3 1,28 1,103 7.523}
{0 CHEMBL381706,3 1,28 1,97 1,103 5.301}
{0 CHEMBL417304,3 1,28 1,37 1,103 5.18}
{0 CHEMBL422406,3 1,28 1,37 1,103 5.686}
{0 CHEMBL424683,3 1,28 1,97 1,103 6.886}
{0 CHEMBL440950,3 1,28 1,37 1,82 1,103 4.456}
{0 CHEMBL451818,3 1,41 1,87 1,103 7.824}
{0 CHEMBL451819,3 1,41 1,87 1,103 7.854}
{0 CHEMBL452322,3 1,5 1,41 1,87 1,103 6.745}
{0 CHEMBL452324,3 1,5 1,41 1,87 1,103 6.071}
{0 CHEMBL452837,3 1,41 1,87 1,103 5.959}
{0 CHEMBL453089,3 1,41 1,87 1,103 5.959}
{0 CHEMBL453090,3 1,5 1,41 1,87 1,103 6.678}
{0 CHEMBL453348,3 1,41 1,87 1,103 5.854}
{0 CHEMBL484860,3 1,37 1,83 1,103 4}
{0 CHEMBL484861,3 1,11 1,25 1,31 1,37 1,99 1,103 5.319}
{0 CHEMBL485481,3 1,25 1,31 1,37 1,99 1,103 4}
{0 CHEMBL490934,1 1,2 1,3 1,88 1,103 7.86}
{0 CHEMBL491104,1 1,2 1,3 1,88 1,103 7.876}
{0 CHEMBL491129,1 1,2 1,3 1,88 1,103 7.627}
{0 CHEMBL491298,1 1,2 1,3 1,88 1,103 7.575}
{0 CHEMBL498800,3 1,23 1,28 1,103 6}
{0 CHEMBL502528,1 1,3 1,23 1,28 1,103 8.143}
{0 CHEMBL508910,3 1,5 1,41 1,87 1,103 5.921}
{0 CHEMBL522455,2 1,3 1,88 1,103 7.491}
{0 CHEMBL526928,1 1,3 1,23 1,28 1,103 8.066}
{0 CHEMBL590740,1 1,3 1,23 1,28 1,102 1,103 6.201}
{0 CHEMBL605580,1 1,3 1,23 1,28 1,102 1,103 5.116}
{0 CHEMBL82181,3 1,26 1,28 1,37 1,103 8.469}
{0 CHEMBL82261,1 1,2 1,3 1,28 1,37 1,102 1,103 8.699}
{0 CHEMBL82390,1 1,2 1,3 1,28 1,37 1,102 1,103 7.824}
{0 CHEMBL84045,3 1,26 1,28 1,103 6.084}
{0 CHEMBL84163,1 1,3 1,28 1,37 1,102 1,103 7.553}
{0 CHEMBL84605,1 1,2 1,3 1,28 1,83 1,102 1,103 7.854}
{0 CHEMBL84728,3 1,28 1,103 4.523}
{0 CHEMBL84904,3 1,28 1,103 7.42}
{0 CHEMBL84935,1 1,2 1,3 1,28 1,83 1,102 1,103 8.071}
{0 CHEMBL85436,1 1,3 1,28 1,37 1,102 1,103 8.523}
{0 CHEMBL85848,3 1,28 1,102 1,103 5.699}
{0 CHEMBL85871,1 1,3 1,28 1,102 1,103 7.456}
{0 CHEMBL88929,3 1,37 1,68 1,77 1,103 4.086}