"molecule_id","FCFP4_1024b220","FCFP4_1024b316","FCFP4_1024b342","FCFP4_1024b356","FCFP4_1024b380","FCFP4_1024b455","FCFP4_1024b477","FCFP4_1024b697","FCFP4_1024b810","FCFP4_1024b920","FCFP4_1024b365","FCFP4_1024b408","FCFP4_1024b492","FCFP4_1024b603","FCFP4_1024b714","FCFP4_1024b799","FCFP4_1024b943","FCFP4_1024b644","FCFP4_1024b892","FCFP4_1024b429","FCFP4_1024b464","FCFP4_1024b891","FCFP4_1024b37","FCFP4_1024b981","FCFP4_1024b199","FCFP4_1024b78","FCFP4_1024b10","FCFP4_1024b504","FCFP4_1024b58","FCFP4_1024b490","FCFP4_1024b574","FCFP4_1024b20","FCFP4_1024b580","FCFP4_1024b399","FCFP4_1024b510","FCFP4_1024b521","FCFP4_1024b934","FCFP4_1024b958","FCFP4_1024b1","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","pXC50"
{1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,29 1,31 1,32 1,36 1,39 1,63 1,103 9.301}
{0 CHEMBL146981,28 1,30 1,31 1,33 1,34 1,35 1,37 1,38 1,39 1,72 1,103 4.699}
{0 CHEMBL148764,28 1,30 1,31 1,33 1,34 1,35 1,37 1,38 1,39 1,72 1,103 4.699}
{0 CHEMBL149275,27 1,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,63 1,103 4.699}
{0 CHEMBL150424,28 1,30 1,34 1,35 1,37 1,38 1,39 1,63 1,103 4.699}
{0 CHEMBL151077,11 1,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,61 1,73 1,103 4.699}
{0 CHEMBL151411,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,61 1,63 1,103 4.699}
{0 CHEMBL151620,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,72 1,103 4.699}
{0 CHEMBL151896,28 1,30 1,34 1,35 1,37 1,38 1,39 1,63 1,103 4.699}
{0 CHEMBL17612,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,29 1,31 1,32 1,36 1,39 1,47 1,63 1,103 9.62}
{0 CHEMBL1790545,12 1,13 1,14 1,15 1,16 1,17 1,20 1,25 1,26 1,29 1,31 1,32 1,36 1,39 1,71 1,102 1,103 7.523}
{0 CHEMBL217693,25 1,26 1,28 1,30 1,31 1,32 1,33 1,36 1,39 1,87 1,103 4.523}
{0 CHEMBL268410,20 1,25 1,26 1,28 1,31 1,32 1,36 1,39 1,87 1,103 4.886}
{0 CHEMBL299714,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,63 1,103 4.699}
{0 CHEMBL306974,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,26 1,27 1,29 1,30 1,31 1,32 1,36 1,39 1,47 1,63 1,72 1,103 7.604}
{0 CHEMBL310924,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,29 1,31 1,32 1,36 1,39 1,47 1,63 1,103 9.745}
{0 CHEMBL324788,19 1,25 1,26 1,28 1,31 1,32 1,36 1,39 1,87 1,103 6}
{0 CHEMBL326831,19 1,25 1,26 1,28 1,31 1,32 1,36 1,39 1,87 1,103 4.959}
{0 CHEMBL356611,24 1,28 1,30 1,31 1,33 1,34 1,35 1,37 1,38 1,39 1,63 1,103 4.699}
{0 CHEMBL357327,28 1,30 1,33 1,34 1,35 1,37 1,38 1,39 1,72 1,103 4.699}
{0 CHEMBL384612,25 1,26 1,28 1,30 1,31 1,32 1,33 1,36 1,39 1,87 1,101 1,103 4.638}
{0 CHEMBL408667,19 1,25 1,26 1,28 1,31 1,32 1,36 1,39 1,87 1,103 5.81}
{0 CHEMBL442513,23 1,25 1,26 1,28 1,30 1,31 1,32 1,33 1,36 1,39 1,87 1,103 4.745}
{0 CHEMBL57,31 1,36 1,39 1,72 1,103 4.699}
{0 CHEMBL75082,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,27 1,29 1,31 1,32 1,36 1,39 1,63 1,103 8.495}
{0 CHEMBL79403,18 1,23 1,24 1,27 1,28 1,29 1,31 1,32 1,36 1,39 1,103 4.699}