"molecule_id","FCFP4_1024b1019","FCFP4_1024b196","FCFP4_1024b760","FCFP4_1024b219","FCFP4_1024b632","FCFP4_1024b107","FCFP4_1024b616","FCFP4_1024b4","FCFP4_1024b503","FCFP4_1024b61","FCFP4_1024b902","FCFP4_1024b26","FCFP4_1024b244","FCFP4_1024b362","FCFP4_1024b606","FCFP4_1024b875","FCFP4_1024b894","FCFP4_1024b241","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_1024b102","FCFP4_1024b1020","FCFP4_1024b1021","FCFP4_1024b1022","FCFP4_1024b1023","FCFP4_1024b1024","FCFP4_1024b103","FCFP4_1024b104","FCFP4_1024b105","FCFP4_1024b106","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","pXC50"
{2 1,3 1,4 1,5 1,6 1,7 1,8 1,16 1,17 1,18 1,19 1,38 1,103 4}
{0 CHEMBL104156,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,19 1,52 1,74 1,103 4}
{0 CHEMBL105139,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,52 1,103 4}
{0 CHEMBL105386,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,18 1,19 1,103 4}
{0 CHEMBL105587,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,17 1,19 1,103 4}
{0 CHEMBL116719,8 1,10 1,19 1,103 4.444}
{0 CHEMBL118462,5 1,6 1,8 1,16 1,19 1,34 1,54 1,103 4.854}
{0 CHEMBL118944,5 1,6 1,8 1,19 1,25 1,66 1,80 1,103 4.292}
{0 CHEMBL119841,5 1,6 1,8 1,16 1,19 1,54 1,103 4.301}
{0 CHEMBL128012,10 1,11 1,19 1,52 1,86 1,90 1,103 4.149}
{0 CHEMBL130640,10 1,11 1,19 1,52 1,74 1,103 4.201}
{0 CHEMBL146730,10 1,11 1,19 1,52 1,63 1,103 5.301}
{0 CHEMBL162358,7 1,16 1,19 1,66 1,103 4.357}
{0 CHEMBL19657,5 1,19 1,103 6.398}
{0 CHEMBL196996,1 1,8 1,10 1,11 1,19 1,21 1,103 6.409}
{0 CHEMBL2115108,5 1,19 1,103 4}
{0 CHEMBL25,19 1,33 1,103 4.824}
{0 CHEMBL266100,1 1,9 1,10 1,11 1,19 1,21 1,44 1,84 1,103 7.469}
{0 CHEMBL274642,8 1,19 1,25 1,65 1,101 1,103 4.467}
{0 CHEMBL280018,1 1,9 1,10 1,11 1,19 1,44 1,84 1,103 5}
{0 CHEMBL291710,1 1,9 1,10 1,11 1,12 1,19 1,103 5.495}
{0 CHEMBL292136,1 1,12 1,19 1,84 1,103 6.959}
{0 CHEMBL293150,1 1,9 1,10 1,11 1,12 1,19 1,86 1,103 6}
{0 CHEMBL293755,1 1,9 1,10 1,11 1,12 1,19 1,44 1,103 5.886}
{0 CHEMBL293821,1 1,9 1,10 1,11 1,12 1,16 1,19 1,103 5}
{0 CHEMBL293825,1 1,9 1,10 1,11 1,19 1,44 1,74 1,84 1,103 5.854}
{0 CHEMBL294003,1 1,9 1,10 1,11 1,16 1,19 1,42 1,103 5}
{0 CHEMBL295991,19 1,33 1,103 4.569}
{0 CHEMBL297332,19 1,103 5.046}
{0 CHEMBL298171,19 1,103 4.398}
{0 CHEMBL298573,19 1,103 4.301}
{0 CHEMBL299048,1 1,9 1,10 1,11 1,12 1,19 1,65 1,103 6}
{0 CHEMBL300159,1 1,9 1,10 1,11 1,12 1,19 1,74 1,103 5.959}
{0 CHEMBL300976,9 1,10 1,11 1,19 1,44 1,74 1,84 1,103 5}
{0 CHEMBL300982,19 1,36 1,86 1,103 6.796}
{0 CHEMBL301017,1 1,10 1,11 1,12 1,19 1,52 1,84 1,103 5}
{0 CHEMBL301304,1 1,10 1,11 1,12 1,19 1,86 1,103 6}
{0 CHEMBL313245,1 1,19 1,21 1,25 1,86 1,103 4.602}
{0 CHEMBL314337,5 1,19 1,62 1,86 1,103 8.699}
{0 CHEMBL314360,10 1,11 1,19 1,52 1,103 5.495}
{0 CHEMBL320394,2 1,3 1,4 1,5 1,6 1,7 1,8 1,16 1,17 1,19 1,38 1,103 4}
{0 CHEMBL321358,2 1,3 1,4 1,5 1,6 1,7 1,8 1,16 1,17 1,19 1,38 1,103 5.26}
{0 CHEMBL322015,2 1,3 1,5 1,6 1,7 1,8 1,16 1,19 1,38 1,103 5.018}
{0 CHEMBL339587,10 1,11 1,19 1,52 1,103 4.357}
{0 CHEMBL413324,1 1,9 1,10 1,11 1,12 1,19 1,44 1,74 1,84 1,103 5.509}
{0 CHEMBL414824,1 1,9 1,10 1,11 1,16 1,19 1,21 1,42 1,103 6.38}
{0 CHEMBL417378,1 1,9 1,10 1,11 1,12 1,19 1,33 1,103 5}
{0 CHEMBL417379,1 1,9 1,10 1,11 1,12 1,19 1,86 1,103 6.125}
{0 CHEMBL417380,1 1,9 1,10 1,11 1,12 1,19 1,103 5}
{0 CHEMBL417968,2 1,5 1,8 1,19 1,103 4}
{0 CHEMBL420281,2 1,3 1,5 1,6 1,7 1,8 1,16 1,19 1,38 1,74 1,103 4}
{0 CHEMBL434783,1 1,9 1,10 1,11 1,19 1,44 1,74 1,84 1,103 5.886}
{0 CHEMBL435907,19 1,74 1,86 1,103 7.523}
{0 CHEMBL440480,1 1,9 1,10 1,11 1,12 1,19 1,44 1,103 6.108}
{0 CHEMBL442167,1 1,9 1,10 1,11 1,12 1,19 1,33 1,103 5}
{0 CHEMBL44376,19 1,23 1,33 1,69 1,103 4.538}
{0 CHEMBL47299,19 1,103 4.921}
{0 CHEMBL47644,19 1,103 7}
{0 CHEMBL47697,19 1,103 4.854}
{0 CHEMBL48092,5 1,19 1,66 1,103 5}
{0 CHEMBL49831,19 1,103 4.432}
{0 CHEMBL49832,19 1,103 4.585}
{0 CHEMBL540301,2 1,3 1,4 1,5 1,8 1,13 1,14 1,15 1,16 1,18 1,19 1,43 1,103 4}
{0 CHEMBL54169,1 1,9 1,10 1,11 1,19 1,103 5}
{0 CHEMBL54221,1 1,9 1,10 1,11 1,12 1,19 1,74 1,103 5.824}
{0 CHEMBL54226,1 1,12 1,13 1,14 1,15 1,16 1,19 1,103 5}
{0 CHEMBL54227,1 1,10 1,12 1,19 1,44 1,84 1,103 5}
{0 CHEMBL543149,2 1,3 1,4 1,5 1,8 1,13 1,14 1,15 1,16 1,17 1,19 1,43 1,52 1,74 1,103 4}
{0 CHEMBL543150,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,17 1,19 1,52 1,103 4}
{0 CHEMBL543158,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,103 4}
{0 CHEMBL544571,2 1,3 1,4 1,5 1,6 1,7 1,8 1,13 1,14 1,15 1,16 1,17 1,18 1,19 1,103 4}
{0 CHEMBL55217,1 1,9 1,10 1,11 1,12 1,16 1,19 1,42 1,103 4.959}
{0 CHEMBL55293,1 1,9 1,10 1,11 1,12 1,19 1,103 5.854}
{0 CHEMBL55389,1 1,12 1,19 1,84 1,103 6}
{0 CHEMBL55435,1 1,9 1,10 1,11 1,19 1,74 1,103 5}
{0 CHEMBL55448,1 1,5 1,9 1,10 1,11 1,12 1,19 1,103 6.398}
{0 CHEMBL55680,1 1,9 1,10 1,11 1,12 1,19 1,103 6.721}
{0 CHEMBL55737,1 1,9 1,10 1,11 1,12 1,19 1,103 6.229}
{0 CHEMBL55880,1 1,10 1,11 1,12 1,19 1,103 5}
{0 CHEMBL55960,1 1,9 1,10 1,11 1,12 1,19 1,103 5.377}
{0 CHEMBL55976,1 1,12 1,19 1,86 1,103 5}
{0 CHEMBL56009,1 1,10 1,11 1,12 1,19 1,86 1,103 6.201}
{0 CHEMBL56039,1 1,9 1,10 1,11 1,12 1,19 1,44 1,84 1,103 5.602}
{0 CHEMBL56196,1 1,9 1,10 1,11 1,12 1,19 1,80 1,103 5}
{0 CHEMBL56365,1 1,9 1,10 1,11 1,12 1,19 1,33 1,103 5}
{0 CHEMBL56422,1 1,9 1,10 1,11 1,12 1,19 1,103 6}
{0 CHEMBL56460,1 1,9 1,10 1,11 1,12 1,19 1,86 1,103 6}
{0 CHEMBL56461,1 1,9 1,10 1,11 1,12 1,19 1,103 5.602}
{0 CHEMBL56531,1 1,9 1,10 1,11 1,19 1,74 1,103 5}
{0 CHEMBL56551,1 1,9 1,10 1,11 1,12 1,19 1,103 6.292}
{0 CHEMBL56563,1 1,12 1,19 1,86 1,103 6.523}
{0 CHEMBL56576,1 1,9 1,10 1,11 1,12 1,19 1,103 5.886}
{0 CHEMBL56798,1 1,9 1,10 1,11 1,12 1,19 1,44 1,84 1,103 6.108}
{0 CHEMBL56833,1 1,9 1,10 1,11 1,12 1,19 1,44 1,84 1,103 6.137}
{0 CHEMBL57016,1 1,9 1,10 1,11 1,12 1,19 1,44 1,84 1,103 6}
{0 CHEMBL57298,1 1,9 1,10 1,11 1,19 1,86 1,103 5}
{0 CHEMBL57358,1 1,9 1,10 1,11 1,12 1,19 1,86 1,103 5.886}
{0 CHEMBL58929,1 1,10 1,11 1,12 1,19 1,52 1,86 1,103 5}
{0 CHEMBL58979,1 1,9 1,10 1,11 1,12 1,16 1,19 1,42 1,103 5}
{0 CHEMBL58987,1 1,9 1,10 1,11 1,12 1,19 1,86 1,103 6.149}
{0 CHEMBL58990,1 1,9 1,10 1,11 1,12 1,19 1,44 1,84 1,103 6.638}
{0 CHEMBL59198,9 1,10 1,11 1,19 1,44 1,74 1,84 1,103 5}
{0 CHEMBL6,5 1,19 1,41 1,74 1,86 1,103 8}
{0 CHEMBL61608,19 1,103 4.658}
{0 CHEMBL7660,8 1,19 1,101 1,103 4.474}
{0 CHEMBL8562,1 1,10 1,11 1,19 1,21 1,103 6.959}
{0 CHEMBL8595,1 1,9 1,10 1,11 1,19 1,44 1,84 1,103 6}
{0 CHEMBL8636,1 1,9 1,10 1,11 1,19 1,21 1,103 5}
{0 CHEMBL8747,5 1,8 1,19 1,103 5.276}
{0 CHEMBL8813,1 1,9 1,10 1,11 1,19 1,21 1,86 1,103 6.215}
{0 CHEMBL8842,1 1,9 1,10 1,11 1,16 1,19 1,42 1,103 5}
{0 CHEMBL8846,1 1,19 1,21 1,84 1,103 6.301}
{0 CHEMBL8959,1 1,9 1,10 1,11 1,19 1,21 1,74 1,103 5}