"molecule_id","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_1024b162","FCFP4_1024b163","FCFP4_1024b164","FCFP4_1024b165","FCFP4_1024b166","FCFP4_1024b167","FCFP4_1024b168","FCFP4_1024b169","FCFP4_1024b17","FCFP4_1024b170","FCFP4_1024b171","FCFP4_1024b172","FCFP4_1024b173","FCFP4_1024b174","FCFP4_1024b175","FCFP4_1024b176","FCFP4_1024b177","FCFP4_1024b178","FCFP4_1024b179","FCFP4_1024b18","FCFP4_1024b180","FCFP4_1024b181","FCFP4_1024b182","FCFP4_1024b183","FCFP4_1024b184","FCFP4_1024b185","FCFP4_1024b186","FCFP4_1024b187","FCFP4_1024b188","FCFP4_1024b189","FCFP4_1024b19","FCFP4_1024b190","FCFP4_1024b191","FCFP4_1024b192","FCFP4_1024b193","FCFP4_1024b194","FCFP4_1024b195","FCFP4_1024b196","FCFP4_1024b197","FCFP4_1024b198","FCFP4_1024b199","FCFP4_1024b2","FCFP4_1024b20","FCFP4_1024b200","FCFP4_1024b201","FCFP4_1024b202","FCFP4_1024b203","FCFP4_1024b204","FCFP4_1024b205","FCFP4_1024b206","FCFP4_1024b207","FCFP4_1024b208","FCFP4_1024b209","FCFP4_1024b21","FCFP4_1024b210","FCFP4_1024b211","FCFP4_1024b212","FCFP4_1024b213","FCFP4_1024b214","pXC50"
{1 1,6 1,24 1,49 1,52 1,66 1,85 1,104 1,105 1,115 1,137 1,147 1,155 5.699}
{0 CHEMBL115263,1 1,49 1,52 1,66 1,85 1,104 1,105 1,115 1,137 1,147 1,155 5.699}
{0 CHEMBL146289,1 1,2 1,85 1,104 1,105 1,123 1,137 1,155 6.735}
{0 CHEMBL146718,1 1,2 1,85 1,104 1,105 1,106 1,108 1,137 1,155 7.252}
{0 CHEMBL147489,1 1,2 1,85 1,104 1,105 1,113 1,123 1,137 1,155 6.752}
{0 CHEMBL147604,1 1,2 1,70 1,85 1,104 1,105 1,106 1,108 1,137 1,155 5.334}
{0 CHEMBL147881,1 1,2 1,85 1,104 1,105 1,106 1,108 1,137 1,155 7.456}
{0 CHEMBL147882,1 1,2 1,85 1,104 1,105 1,123 1,137 1,155 7.678}
{0 CHEMBL148169,1 1,85 1,96 1,104 1,105 1,108 1,115 1,137 1,155 5.796}
{0 CHEMBL148171,1 1,2 1,58 1,85 1,104 1,105 1,137 1,155 7.398}
{0 CHEMBL148214,1 1,2 1,58 1,85 1,104 1,105 1,137 1,155 7.796}
{0 CHEMBL148406,1 1,2 1,26 1,85 1,104 1,105 1,123 1,130 1,137 1,155 6.695}
{0 CHEMBL179288,1 1,2 1,85 1,88 1,104 1,105 1,137 1,138 1,155 7.292}
{0 CHEMBL181244,1 1,2 1,85 1,88 1,104 1,105 1,137 1,155 6.046}
{0 CHEMBL1939844,1 1,2 1,58 1,59 1,64 1,104 1,105 1,137 1,138 1,155 5.959}
{0 CHEMBL1939845,1 1,2 1,59 1,64 1,104 1,105 1,137 1,138 1,155 5.658}
{0 CHEMBL1939846,1 1,2 1,59 1,64 1,104 1,105 1,137 1,138 1,155 7.409}
{0 CHEMBL1956115,1 1,85 1,104 1,105 1,137 1,155 5}
{0 CHEMBL19611,1 1,36 1,43 1,53 1,83 1,84 1,85 1,104 1,105 1,136 1,137 1,138 1,155 8.097}
{0 CHEMBL202875,1 1,104 1,105 1,137 1,147 1,155 4.494}
{0 CHEMBL207305,1 1,66 1,85 1,96 1,104 1,105 1,108 1,115 1,137 1,155 5.255}
{0 CHEMBL208009,1 1,52 1,66 1,85 1,96 1,104 1,105 1,108 1,115 1,137 1,155 5.255}
{0 CHEMBL234529,1 1,2 1,18 1,58 1,85 1,104 1,105 1,137 1,147 1,155 7.357}
{0 CHEMBL234530,1 1,2 1,18 1,85 1,104 1,105 1,137 1,147 1,155 9}
{0 CHEMBL234735,1 1,2 1,18 1,85 1,104 1,105 1,137 1,147 1,155 6.73}
{0 CHEMBL253275,1 1,16 1,39 1,49 1,85 1,104 1,105 1,112 1,115 1,137 1,155 5}
{0 CHEMBL325163,1 1,49 1,52 1,66 1,85 1,104 1,105 1,115 1,137 1,147 1,155 5.699}
{0 CHEMBL356124,1 1,2 1,58 1,85 1,104 1,105 1,123 1,137 1,155 5.775}
{0 CHEMBL358539,1 1,2 1,58 1,85 1,104 1,105 1,106 1,108 1,137 1,155 7.658}
{0 CHEMBL402436,1 1,39 1,85 1,98 1,104 1,105 1,115 1,121 1,133 1,137 1,155 5.263}
{0 CHEMBL403186,1 1,16 1,39 1,85 1,104 1,105 1,115 1,121 1,133 1,137 1,155 5.255}
{0 CHEMBL424130,1 1,2 1,70 1,85 1,104 1,105 1,123 1,137 1,155 5.735}
{0 CHEMBL431680,1 1,49 1,52 1,66 1,85 1,104 1,105 1,115 1,137 1,147 1,155 5.699}
{0 CHEMBL447787,1 1,16 1,39 1,85 1,104 1,105 1,115 1,116 1,121 1,133 1,137 1,155 5.255}
{0 CHEMBL471537,1 1,2 1,85 1,104 1,105 1,137 1,138 1,147 1,155 9.509}
{0 CHEMBL472899,1 1,2 1,18 1,83 1,85 1,104 1,105 1,137 1,155 7.943}
{0 CHEMBL514138,1 1,2 1,58 1,85 1,104 1,105 1,115 1,137 1,138 1,155 8.167}
{0 CHEMBL515083,1 1,2 1,18 1,58 1,83 1,85 1,104 1,105 1,137 1,155 6.002}
{0 CHEMBL515980,1 1,2 1,83 1,85 1,104 1,105 1,137 1,138 1,155 8.807}
{0 CHEMBL550350,1 1,2 1,70 1,85 1,88 1,104 1,105 1,106 1,108 1,137 1,155 4.824}
{0 CHEMBL550548,1 1,2 1,70 1,85 1,88 1,104 1,105 1,106 1,108 1,137 1,138 1,155 5.301}
{0 CHEMBL561963,1 1,2 1,85 1,88 1,104 1,105 1,137 1,138 1,155 7.292}
{0 CHEMBL572780,1 1,58 1,85 1,104 1,105 1,137 1,155 6.824}
{0 CHEMBL573714,1 1,58 1,85 1,104 1,105 1,137 1,155 6.886}
{0 CHEMBL573715,1 1,58 1,85 1,104 1,105 1,137 1,155 7.495}
{0 CHEMBL573934,1 1,58 1,104 1,105 1,137 1,155 5.921}
{0 CHEMBL573935,1 1,104 1,105 1,137 1,155 5.367}
{0 CHEMBL573936,1 1,58 1,104 1,105 1,137 1,155 6.137}
{0 CHEMBL574370,1 1,85 1,104 1,105 1,137 1,155 6.658}
{0 CHEMBL574589,1 1,104 1,105 1,137 1,155 5.292}
{0 CHEMBL574605,1 1,85 1,104 1,105 1,137 1,155 6.328}
{0 CHEMBL575881,1 1,2 1,16 1,88 1,104 1,105 1,137 1,138 1,155 4.745}
{0 CHEMBL575895,1 1,58 1,104 1,105 1,137 1,155 4.509}
{0 CHEMBL575896,1 1,104 1,105 1,137 1,155 5.886}
{0 CHEMBL579067,1 1,58 1,104 1,105 1,137 1,155 5.187}
{0 CHEMBL579068,1 1,104 1,105 1,137 1,155 5.201}
{0 CHEMBL584122,1 1,58 1,104 1,105 1,137 1,155 5.222}
{0 CHEMBL584147,1 1,58 1,104 1,105 1,137 1,155 5.959}
{0 CHEMBL584365,1 1,58 1,85 1,104 1,105 1,137 1,155 6.886}
{0 CHEMBL585376,1 1,58 1,104 1,105 1,137 1,155 4.032}
{0 CHEMBL603656,1 1,70 1,101 1,104 1,105 1,115 1,122 1,137 1,140 1,142 1,155 4.602}
{0 CHEMBL88520,1 1,36 1,85 1,104 1,105 1,137 1,147 1,155 7.456}
{0 CHEMBL91636,1 1,52 1,85 1,115 1,137 1,147 1,155 6.971}