"molecule_id","FCFP4_1024b370","FCFP4_1024b380","FCFP4_1024b20","FCFP4_1024b185","FCFP4_1024b196","FCFP4_1024b316","FCFP4_1024b535","FCFP4_1024b18","FCFP4_1024b908","FCFP4_1024b122","FCFP4_1024b478","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_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","pXC50"
{8 1,12 1,103 5.567}
{0 CHEMBL112244,8 1,10 1,12 1,13 1,46 1,96 1,103 7.8}
{0 CHEMBL1202000,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.4}
{0 CHEMBL1202001,8 1,10 1,12 1,13 1,46 1,96 1,103 7.44}
{0 CHEMBL1202002,8 1,12 1,13 1,46 1,79 1,96 1,103 6.8}
{0 CHEMBL1202003,8 1,10 1,12 1,13 1,46 1,79 1,103 7.38}
{0 CHEMBL1202004,8 1,10 1,12 1,13 1,46 1,103 8.55}
{0 CHEMBL1212982,8 1,12 1,32 1,37 1,103 5.222}
{0 CHEMBL1212983,8 1,12 1,32 1,37 1,103 5.886}
{0 CHEMBL1212989,8 1,12 1,32 1,37 1,80 1,103 6.523}
{0 CHEMBL1212992,8 1,12 1,32 1,37 1,60 1,103 6.146}
{0 CHEMBL1212994,8 1,12 1,32 1,37 1,80 1,103 6.398}
{0 CHEMBL12587,12 1,30 1,38 1,90 1,103 5.854}
{0 CHEMBL127587,12 1,13 1,27 1,103 8.622}
{0 CHEMBL131865,8 1,10 1,12 1,13 1,34 1,46 1,96 1,103 8.84}
{0 CHEMBL134692,8 1,9 1,10 1,12 1,34 1,46 1,96 1,103 7.2}
{0 CHEMBL1354105,8 1,12 1,32 1,37 1,80 1,96 1,103 6.737}
{0 CHEMBL14,12 1,25 1,90 1,103 5.585}
{0 CHEMBL1535797,4 1,5 1,9 1,12 1,24 1,103 4.669}
{0 CHEMBL1551487,8 1,12 1,32 1,37 1,68 1,96 1,103 7}
{0 CHEMBL1589763,8 1,12 1,32 1,37 1,80 1,96 1,103 6.046}
{0 CHEMBL1593296,8 1,12 1,13 1,32 1,37 1,76 1,96 1,103 6.718}
{0 CHEMBL1609153,4 1,5 1,9 1,12 1,24 1,103 4.523}
{0 CHEMBL1624037,4 1,5 1,9 1,12 1,24 1,103 4.523}
{0 CHEMBL163901,8 1,12 1,13 1,18 1,60 1,103 7.4}
{0 CHEMBL165220,8 1,12 1,13 1,103 7.5}
{0 CHEMBL1916224,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 4.523}
{0 CHEMBL1916225,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916226,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 4.523}
{0 CHEMBL1916227,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916228,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,68 1,103 5}
{0 CHEMBL1916229,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916230,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,103 5}
{0 CHEMBL1916231,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,93 1,95 1,103 5}
{0 CHEMBL1916232,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,78 1,103 5}
{0 CHEMBL1916233,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,68 1,103 5}
{0 CHEMBL1916234,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,11 1,12 1,13 1,80 1,103 5}
{0 CHEMBL1916235,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,93 1,95 1,103 5}
{0 CHEMBL194216,8 1,12 1,13 1,103 6.27}
{0 CHEMBL1978713,8 1,12 1,32 1,37 1,68 1,103 6.638}
{0 CHEMBL2057417,8 1,11 1,12 1,32 1,37 1,103 6.757}
{0 CHEMBL2112217,8 1,12 1,13 1,46 1,79 1,96 1,103 5.777}
{0 CHEMBL2313377,8 1,11 1,12 1,32 1,37 1,103 6.832}
{0 CHEMBL2315675,1 1,2 1,3 1,12 1,13 1,46 1,56 1,80 1,103 5.287}
{0 CHEMBL2315676,1 1,2 1,3 1,12 1,13 1,37 1,46 1,56 1,80 1,103 5}
{0 CHEMBL2315680,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,11 1,12 1,13 1,60 1,78 1,103 5}
{0 CHEMBL253978,8 1,12 1,13 1,46 1,78 1,79 1,103 7.759}
{0 CHEMBL255169,12 1,13 1,46 1,95 1,103 4.745}
{0 CHEMBL255523,8 1,12 1,13 1,46 1,95 1,103 6.352}
{0 CHEMBL256202,8 1,12 1,13 1,46 1,95 1,103 5.292}
{0 CHEMBL265256,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.935}
{0 CHEMBL270580,12 1,13 1,46 1,103 5.102}
{0 CHEMBL271519,12 1,13 1,46 1,103 4.18}
{0 CHEMBL271704,12 1,13 1,46 1,95 1,103 4.699}
{0 CHEMBL27673,8 1,10 1,12 1,42 1,68 1,103 7.58}
{0 CHEMBL277642,3 1,8 1,12 1,13 1,103 8.268}
{0 CHEMBL294273,1 1,3 1,8 1,12 1,13 1,103 5.081}
{0 CHEMBL302995,8 1,12 1,13 1,46 1,79 1,96 1,103 4}
{0 CHEMBL303678,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL303684,8 1,10 1,12 1,13 1,46 1,79 1,96 1,103 7.635}
{0 CHEMBL304112,8 1,9 1,12 1,13 1,46 1,79 1,96 1,103 6.678}
{0 CHEMBL304391,8 1,12 1,13 1,46 1,47 1,79 1,80 1,87 1,96 1,103 5.532}
{0 CHEMBL305403,8 1,12 1,13 1,24 1,46 1,79 1,80 1,96 1,103 5.983}
{0 CHEMBL335115,8 1,9 1,10 1,12 1,34 1,46 1,96 1,103 7.7}
{0 CHEMBL407678,8 1,9 1,10 1,12 1,13 1,34 1,46 1,79 1,96 1,103 6.8}
{0 CHEMBL420739,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL43383,8 1,12 1,13 1,46 1,79 1,96 1,103 8}
{0 CHEMBL466253,12 1,68 1,103 4.523}
{0 CHEMBL503735,12 1,19 1,60 1,80 1,103 5}
{0 CHEMBL517712,1 1,3 1,12 1,13 1,103 9.284}
{0 CHEMBL522460,1 1,2 1,3 1,12 1,13 1,46 1,56 1,80 1,103 4.523}
{0 CHEMBL523685,12 1,80 1,103 4.523}
{0 CHEMBL64000,8 1,12 1,103 7.72}
{0 CHEMBL64788,8 1,12 1,103 5.102}
{0 CHEMBL67381,8 1,12 1,13 1,46 1,79 1,80 1,96 1,103 6.658}
{0 CHEMBL67532,8 1,12 1,13 1,46 1,79 1,96 1,103 6.886}
{0 CHEMBL68709,8 1,9 1,12 1,13 1,17 1,46 1,79 1,96 1,103 4}
{0 CHEMBL68771,8 1,12 1,13 1,46 1,79 1,96 1,103 5.547}
{0 CHEMBL70003,8 1,12 1,13 1,46 1,53 1,79 1,95 1,96 1,103 5.59}
{0 CHEMBL7303,12 1,13 1,103 5.62}
{0 CHEMBL76897,12 1,18 1,60 1,90 1,103 9.29}
{0 CHEMBL978,12 1,90 1,103 5.796}
{0 CHEMBL9967,8 1,12 1,13 1,46 1,79 1,96 1,103 7.46}