"molecule_id","FCFP4_1024b199","FCFP4_1024b20","FCFP4_1024b612","FCFP4_1024b983","FCFP4_1024b187","FCFP4_1024b698","FCFP4_1024b884","FCFP4_1024b888","FCFP4_1024b114","FCFP4_1024b265","FCFP4_1024b603","FCFP4_1024b948","FCFP4_1024b151","FCFP4_1024b152","FCFP4_1024b374","FCFP4_1024b455","FCFP4_1024b492","FCFP4_1024b541","FCFP4_1024b614","FCFP4_1024b714","FCFP4_1024b728","FCFP4_1024b752","FCFP4_1024b799","FCFP4_1024b862","FCFP4_1024b943","FCFP4_1024b945","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_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_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_1024b188","FCFP4_1024b189","FCFP4_1024b19","FCFP4_1024b190","FCFP4_1024b191","FCFP4_1024b192","FCFP4_1024b193","FCFP4_1024b194","FCFP4_1024b195","FCFP4_1024b196","FCFP4_1024b197","FCFP4_1024b198","FCFP4_1024b2","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","FCFP4_1024b215","FCFP4_1024b216","FCFP4_1024b217","FCFP4_1024b218","FCFP4_1024b219","FCFP4_1024b22","FCFP4_1024b220","FCFP4_1024b221","FCFP4_1024b222","FCFP4_1024b223","FCFP4_1024b224","FCFP4_1024b225","FCFP4_1024b226","FCFP4_1024b227","FCFP4_1024b228","FCFP4_1024b229","FCFP4_1024b23","FCFP4_1024b230","FCFP4_1024b231","FCFP4_1024b232","FCFP4_1024b233","FCFP4_1024b234","FCFP4_1024b235","FCFP4_1024b236","FCFP4_1024b237","FCFP4_1024b238","FCFP4_1024b239","FCFP4_1024b24","FCFP4_1024b240","FCFP4_1024b241","FCFP4_1024b242","pXC50"
{1 1,2 1,3 1,4 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 1,78 1,127 1,128 1,136 1,138 1,158 1,206 5.097}
{0 CHEMBL1689393,1 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 1,60 1,68 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,206 6.26}
{0 CHEMBL1689394,1 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 1,33 1,60 1,68 1,77 1,78 1,83 1,87 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 6.268}
{0 CHEMBL1689395,1 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 1,60 1,68 1,77 1,78 1,83 1,90 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.658}
{0 CHEMBL1689396,1 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 1,60 1,68 1,77 1,78 1,83 1,90 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.409}
{0 CHEMBL1689397,1 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 1,68 1,77 1,78 1,83 1,127 1,128 1,138 1,158 1,162 1,167 1,206 5.796}
{0 CHEMBL1689398,1 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 1,60 1,68 1,77 1,78 1,83 1,90 1,118 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.469}
{0 CHEMBL1689399,1 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 1,60 1,68 1,77 1,78 1,83 1,90 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.62}
{0 CHEMBL1689400,1 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 1,60 1,68 1,77 1,78 1,83 1,90 1,118 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.678}
{0 CHEMBL1689401,1 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 1,68 1,77 1,78 1,83 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.26}
{0 CHEMBL1689402,1 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 1,68 1,77 1,78 1,83 1,118 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.387}
{0 CHEMBL1689403,1 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 1,68 1,77 1,83 1,95 1,118 1,127 1,128 1,138 1,158 1,162 1,167 1,206 6.092}
{0 CHEMBL1689404,1 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 1,33 1,68 1,77 1,78 1,83 1,87 1,112 1,118 1,127 1,128 1,138 1,158 1,167 1,206 4.469}
{0 CHEMBL1689405,1 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 1,60 1,68 1,77 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 5.854}
{0 CHEMBL1689406,1 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 1,60 1,68 1,77 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 7}
{0 CHEMBL1689407,1 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 1,68 1,77 1,78 1,118 1,127 1,128 1,138 1,158 1,167 1,206 6.55}
{0 CHEMBL1689408,1 1,2 1,3 1,4 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 1,60 1,68 1,77 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 5.081}
{0 CHEMBL1689409,1 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 1,60 1,68 1,77 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 6.77}
{0 CHEMBL1689410,1 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 1,60 1,68 1,77 1,78 1,90 1,127 1,128 1,138 1,158 1,167 1,206 6.745}
{0 CHEMBL1689411,1 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 1,60 1,68 1,77 1,78 1,90 1,118 1,127 1,128 1,138 1,158 1,167 1,206 6.569}
{0 CHEMBL2024320,27 1,52 1,83 1,95 1,127 1,128 1,138 1,152 1,158 1,206 4.155}
{0 CHEMBL2024321,1 1,2 1,3 1,4 1,9 1,10 1,12 1,27 1,83 1,90 1,95 1,127 1,128 1,138 1,158 1,206 4.745}
{0 CHEMBL2024322,1 1,2 1,3 1,4 1,9 1,10 1,27 1,90 1,95 1,127 1,128 1,138 1,158 1,206 4.658}
{0 CHEMBL2024323,1 1,2 1,3 1,4 1,11 1,27 1,28 1,75 1,95 1,127 1,128 1,138 1,158 1,206 4.721}
{0 CHEMBL2153360,1 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 1,78 1,111 1,118 1,127 1,128 1,136 1,138 1,158 1,206 5.842}
{0 CHEMBL2153361,1 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 1,95 1,111 1,118 1,127 1,128 1,136 1,138 1,158 1,206 5.983}
{0 CHEMBL2153473,1 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 1,74 1,78 1,111 1,118 1,127 1,128 1,136 1,138 1,158 1,206 6.245}
{0 CHEMBL2153474,1 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 1,74 1,95 1,111 1,118 1,127 1,128 1,136 1,138 1,158 1,206 6.699}
{0 CHEMBL2177813,27 1,95 1,97 1,127 1,128 1,158 1,206 4.523}
{0 CHEMBL2347383,27 1,52 1,95 1,127 1,128 1,158 1,167 1,206 4.523}
{0 CHEMBL2347389,27 1,95 1,127 1,128 1,158 1,206 4.523}
{0 CHEMBL2347399,27 1,52 1,95 1,127 1,128 1,158 1,206 4.523}