"molecule_id","FCFP4_1024b224","FCFP4_1024b297","FCFP4_1024b957","FCFP4_1024b698","FCFP4_1024b8","FCFP4_1024b884","FCFP4_1024b888","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","pXC50"
{8 1,9 1,31 1,42 1,59 1,75 1,77 1,103 4.658}
{0 CHEMBL258811,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.602}
{0 CHEMBL271135,8 1,9 1,25 1,31 1,42 1,73 1,75 1,77 1,103 5.222}
{0 CHEMBL271618,8 1,9 1,25 1,31 1,42 1,43 1,75 1,77 1,103 4.9}
{0 CHEMBL271836,8 1,9 1,31 1,42 1,75 1,77 1,103 4.108}
{0 CHEMBL271972,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.174}
{0 CHEMBL272248,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 7.268}
{0 CHEMBL272818,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.658}
{0 CHEMBL313359,8 1,9 1,25 1,31 1,42 1,60 1,77 1,103 4}
{0 CHEMBL315584,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.77}
{0 CHEMBL315917,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 4}
{0 CHEMBL316314,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.046}
{0 CHEMBL327236,8 1,9 1,25 1,31 1,42 1,75 1,103 6}
{0 CHEMBL327929,8 1,9 1,31 1,42 1,59 1,75 1,77 1,103 4}
{0 CHEMBL328495,8 1,9 1,31 1,42 1,59 1,75 1,77 1,103 5.097}
{0 CHEMBL328899,8 1,9 1,25 1,31 1,42 1,77 1,86 1,103 4}
{0 CHEMBL328961,8 1,9 1,25 1,31 1,42 1,75 1,103 5.194}
{0 CHEMBL329363,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.097}
{0 CHEMBL329389,1 1,2 1,3 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.155}
{0 CHEMBL330337,8 1,9 1,25 1,31 1,42 1,75 1,103 4}
{0 CHEMBL409244,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.222}
{0 CHEMBL411672,1 1,2 1,3 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.155}
{0 CHEMBL419502,8 1,9 1,25 1,31 1,42 1,43 1,75 1,103 4.208}
{0 CHEMBL420804,8 1,9 1,31 1,42 1,75 1,77 1,103 4.585}
{0 CHEMBL431263,8 1,9 1,25 1,31 1,42 1,75 1,103 4.131}
{0 CHEMBL433177,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.469}
{0 CHEMBL88510,8 1,9 1,25 1,31 1,75 1,77 1,93 1,96 1,103 4}
{0 CHEMBL88614,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.854}
{0 CHEMBL89936,2 1,3 1,8 1,9 1,25 1,31 1,42 1,75 1,86 1,103 4}
{0 CHEMBL90038,8 1,9 1,25 1,31 1,42 1,77 1,88 1,103 4.18}
{0 CHEMBL90131,8 1,9 1,25 1,31 1,42 1,49 1,60 1,77 1,92 1,103 4}
{0 CHEMBL90151,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.222}
{0 CHEMBL90847,8 1,9 1,25 1,31 1,42 1,75 1,103 5.284}
{0 CHEMBL90979,8 1,9 1,31 1,42 1,43 1,75 1,77 1,103 4.824}
{0 CHEMBL91099,8 1,9 1,25 1,31 1,42 1,75 1,103 4}
{0 CHEMBL91242,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.658}
{0 CHEMBL91324,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 7.268}
{0 CHEMBL91333,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.377}
{0 CHEMBL91682,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 4}
{0 CHEMBL91823,8 1,9 1,25 1,31 1,42 1,75 1,103 4}
{0 CHEMBL91833,8 1,9 1,25 1,31 1,42 1,75 1,103 4}
{0 CHEMBL92119,8 1,9 1,25 1,31 1,42 1,75 1,103 6.523}
{0 CHEMBL93340,8 1,9 1,25 1,31 1,42 1,75 1,103 4}
{0 CHEMBL93651,8 1,9 1,25 1,31 1,42 1,75 1,77 1,103 5.377}
{0 CHEMBL93913,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,25 1,31 1,42 1,75 1,103 7.174}