"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 1,7 1,24 1,26 1,31 1,35 1,53 1,62 1,85 1,104 1,105 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.06}
{0 CHEMBL126341,1 1,7 1,24 1,26 1,62 1,85 1,104 1,105 1,106 1,108 1,121 1,137 1,147 1,155 7.244}
{0 CHEMBL126416,1 1,7 1,24 1,26 1,35 1,51 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 6.745}
{0 CHEMBL126925,1 1,7 1,26 1,35 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 6.886}
{0 CHEMBL126983,1 1,7 1,24 1,26 1,35 1,62 1,85 1,104 1,105 1,115 1,121 1,136 1,137 1,138 1,147 1,155 6.886}
{0 CHEMBL127133,1 1,7 1,26 1,35 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,148 1,155 7.77}
{0 CHEMBL127377,1 1,7 1,24 1,26 1,52 1,60 1,62 1,85 1,104 1,105 1,137 1,147 1,155 6.796}
{0 CHEMBL127492,1 1,6 1,7 1,26 1,35 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 7.032}
{0 CHEMBL127525,1 1,7 1,26 1,35 1,60 1,62 1,70 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 7.469}
{0 CHEMBL202295,1 1,18 1,35 1,104 1,105 1,115 1,137 1,155 8.569}
{0 CHEMBL202397,1 1,18 1,35 1,104 1,105 1,115 1,137 1,155 8.013}
{0 CHEMBL2111839,1 1,7 1,24 1,26 1,62 1,85 1,104 1,105 1,106 1,108 1,121 1,137 1,147 1,155 6}
{0 CHEMBL225993,1 1,35 1,104 1,105 1,115 1,137 1,155 6.631}
{0 CHEMBL226045,1 1,35 1,104 1,105 1,115 1,137 1,155 6.527}
{0 CHEMBL226050,1 1,35 1,104 1,105 1,115 1,137 1,155 7.959}
{0 CHEMBL226357,1 1,35 1,104 1,105 1,115 1,137 1,155 7.553}
{0 CHEMBL226359,1 1,35 1,66 1,104 1,105 1,115 1,137 1,155 6.991}
{0 CHEMBL234562,1 1,64 1,70 1,98 1,104 1,105 1,115 1,137 1,155 7.022}
{0 CHEMBL284274,1 1,35 1,104 1,105 1,137 1,155 8.174}
{0 CHEMBL285192,1 1,35 1,52 1,58 1,104 1,105 1,137 1,155 7.086}
{0 CHEMBL285722,1 1,35 1,36 1,104 1,105 1,114 1,137 1,155 6.371}
{0 CHEMBL285950,1 1,35 1,58 1,104 1,105 1,120 1,137 1,155 8.959}
{0 CHEMBL288493,1 1,7 1,35 1,104 1,105 1,115 1,137 1,155 4.745}
{0 CHEMBL290028,1 1,35 1,58 1,104 1,105 1,137 1,155 6.654}
{0 CHEMBL290288,1 1,35 1,104 1,105 1,137 1,155 6.455}
{0 CHEMBL338439,1 1,7 1,24 1,26 1,35 1,62 1,85 1,104 1,105 1,106 1,108 1,115 1,121 1,137 1,147 1,155 7.31}
{0 CHEMBL338665,1 1,7 1,24 1,26 1,31 1,35 1,53 1,62 1,85 1,104 1,105 1,106 1,108 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.131}
{0 CHEMBL338806,1 1,7 1,24 1,26 1,35 1,62 1,85 1,104 1,105 1,106 1,108 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.387}
{0 CHEMBL338865,1 1,7 1,26 1,35 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 7.252}
{0 CHEMBL339476,1 1,7 1,24 1,26 1,35 1,43 1,60 1,62 1,83 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 6.975}
{0 CHEMBL339751,1 1,7 1,24 1,26 1,35 1,62 1,85 1,104 1,105 1,108 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.495}
{0 CHEMBL340309,1 1,7 1,24 1,26 1,35 1,62 1,82 1,85 1,104 1,105 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.244}
{0 CHEMBL340703,1 1,7 1,24 1,26 1,35 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 6.77}
{0 CHEMBL34152,1 1,35 1,36 1,52 1,104 1,105 1,114 1,137 1,155 6.295}
{0 CHEMBL34413,1 1,35 1,104 1,105 1,137 1,155 7.738}
{0 CHEMBL35130,1 1,35 1,104 1,105 1,137 1,155 6.12}
{0 CHEMBL35183,1 1,35 1,104 1,105 1,137 1,155 7.538}
{0 CHEMBL35355,1 1,35 1,36 1,104 1,105 1,114 1,137 1,155 6.963}
{0 CHEMBL35360,1 1,35 1,52 1,58 1,104 1,105 1,120 1,137 1,155 9.167}
{0 CHEMBL36346,1 1,35 1,104 1,105 1,115 1,137 1,155 7.018}
{0 CHEMBL36457,1 1,35 1,36 1,52 1,104 1,105 1,114 1,137 1,155 7.071}
{0 CHEMBL36461,1 1,35 1,42 1,85 1,104 1,105 1,137 1,155 7.796}
{0 CHEMBL369981,1 1,18 1,35 1,88 1,104 1,105 1,115 1,137 1,155 8.585}
{0 CHEMBL37557,1 1,35 1,52 1,58 1,104 1,105 1,137 1,155 6.79}
{0 CHEMBL37600,1 1,35 1,104 1,105 1,137 1,155 6.47}
{0 CHEMBL37613,1 1,24 1,35 1,36 1,104 1,105 1,114 1,137 1,155 6.578}
{0 CHEMBL37674,1 1,25 1,35 1,104 1,105 1,120 1,137 1,155 7.752}
{0 CHEMBL37906,1 1,35 1,52 1,104 1,105 1,137 1,155 7.983}
{0 CHEMBL38239,1 1,35 1,52 1,104 1,105 1,137 1,155 6.495}
{0 CHEMBL417138,1 1,35 1,104 1,105 1,137 1,148 1,155 8.319}
{0 CHEMBL417330,1 1,35 1,36 1,52 1,104 1,105 1,114 1,137 1,155 6.66}
{0 CHEMBL418048,1 1,24 1,35 1,36 1,52 1,104 1,105 1,114 1,137 1,155 7.222}
{0 CHEMBL418228,1 1,35 1,36 1,104 1,105 1,114 1,137 1,155 6.297}
{0 CHEMBL419795,1 1,7 1,24 1,26 1,31 1,35 1,53 1,60 1,62 1,85 1,104 1,105 1,115 1,136 1,137 1,138 1,147 1,155 6.357}
{0 CHEMBL431496,1 1,35 1,104 1,105 1,120 1,137 1,155 9.328}
{0 CHEMBL435806,1 1,7 1,24 1,26 1,31 1,35 1,53 1,62 1,82 1,85 1,104 1,105 1,115 1,121 1,136 1,137 1,138 1,147 1,155 7.469}
{0 CHEMBL442541,1 1,35 1,36 1,104 1,105 1,114 1,137 1,155 6.371}
{0 CHEMBL444303,1 1,24 1,35 1,36 1,104 1,105 1,114 1,137 1,155 5.684}
{0 CHEMBL91485,1 1,58 1,70 1,104 1,105 1,137 1,153 1,155 6.383}