"molecule_id","FCFP4_1024b461","FCFP4_1024b17","FCFP4_1024b25","FCFP4_1024b170","FCFP4_1024b785","FCFP4_1024b930","FCFP4_1024b983","FCFP4_1024b942","FCFP4_1024b466","FCFP4_1024b809","FCFP4_1024b174","FCFP4_1024b394","FCFP4_1024b359","FCFP4_1024b503","FCFP4_1024b61","FCFP4_1024b342","FCFP4_1024b842","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_1024b171","FCFP4_1024b172","FCFP4_1024b173","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","pXC50" {18 1,127 1,155 1.886} {0 CHEMBL18432,1 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 1,125 1,155 5.77} {0 CHEMBL18766,1 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 1,83 1,127 1,155 5.276} {0 CHEMBL18863,1 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 1,116 1,129 1,151 1,155 4.301} {0 CHEMBL18903,1 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 1,155 6.432} {0 CHEMBL18920,1 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 1,48 1,78 1,102 1,129 1,151 1,155 5.409} {0 CHEMBL19318,1 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 1,125 1,155 5.409} {0 CHEMBL19325,1 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 1,102 1,109 1,151 1,155 6.469} {0 CHEMBL19337,1 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 1,151 1,155 4.347} {0 CHEMBL19388,1 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 1,151 1,155 4.398} {0 CHEMBL19401,1 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 1,151 1,155 4.337} {0 CHEMBL19418,1 1,2 1,3 1,4 1,7 1,8 1,9 1,10 1,13 1,14 1,15 1,18 1,129 1,155 4.42} {0 CHEMBL19456,1 1,2 1,3 1,4 1,7 1,8 1,9 1,10 1,13 1,14 1,15 1,18 1,129 1,155 4.398} {0 CHEMBL19470,1 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 1,125 1,155 5.301} {0 CHEMBL19486,1 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 1,125 1,155 5.77} {0 CHEMBL19487,1 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 1,151 1,155 6} {0 CHEMBL19537,1 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 1,155 4.523} {0 CHEMBL24080,155 1.745} {0 CHEMBL25004,18 1,92 1,93 1,127 1,151 1,155 1.745} {0 CHEMBL25029,18 1,63 1,127 1,155 2.276} {0 CHEMBL25355,18 1,116 1,155 3.481} {0 CHEMBL25482,18 1,63 1,127 1,155 2.456} {0 CHEMBL25617,18 1,151 1,155 2.208} {0 CHEMBL268697,2 1,3 1,4 1,18 1,97 1,115 1,150 1,151 1,155 2.917} {0 CHEMBL274006,1 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 1,151 1,155 5.523} {0 CHEMBL277871,8 1,18 1,151 1,155 1.824} {0 CHEMBL278309,1 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 1,18 1,148 1,151 1,155 4.678} {0 CHEMBL278327,1 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 1,102 1,109 1,151 1,155 6.569} {0 CHEMBL278742,1 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 1,83 1,127 1,155 5.886} {0 CHEMBL279153,1 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 1,48 1,102 1,129 1,151 1,155 5.432} {0 CHEMBL279876,1 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 1,155 6.066} {0 CHEMBL281616,18 1,127 1,151 1,155 2.208} {0 CHEMBL282468,155 3.481} {0 CHEMBL282917,1 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 1,151 1,155 5} {0 CHEMBL282920,1 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 1,18 1,155 6.409} {0 CHEMBL283112,1 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 1,151 1,155 5.921} {0 CHEMBL32585,2 1,3 1,5 1,6 1,18 1,31 1,58 1,101 1,129 1,151 1,155 4.796} {0 CHEMBL33332,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,18 1,101 1,123 1,129 1,151 1,155 5.155} {0 CHEMBL34000,1 1,2 1,3 1,4 1,5 1,6 1,18 1,100 1,101 1,129 1,151 1,155 4.824} {0 CHEMBL350365,2 1,3 1,4 1,18 1,97 1,115 1,150 1,151 1,155 2.896} {0 CHEMBL428683,1 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 1,151 1,155 5.432} {0 CHEMBL502,1 1,2 1,3 1,4 1,8 1,18 1,19 1,75 1,83 1,87 1,115 1,151 1,155 8.276} {0 CHEMBL920,18 1,97 1,155 3.538} {0 CHEMBL95,1 1,2 1,3 1,4 1,7 1,8 1,18 1,43 1,129 1,155 9.821}