"molecule_id","FCFP4_1024b985","FCFP4_1024b406","FCFP4_1024b574","FCFP4_1024b900","FCFP4_1024b211","FCFP4_1024b669","FCFP4_1024b10","FCFP4_1024b230","FCFP4_1024b967","FCFP4_1024b731","FCFP4_1024b256","FCFP4_1024b630","FCFP4_1024b644","FCFP4_1024b37","FCFP4_1024b4","FCFP4_1024b503","FCFP4_1024b902","FCFP4_1024b271","FCFP4_1024b61","FCFP4_1024b325","FCFP4_1024b20","FCFP4_1024b199","FCFP4_1024b429","FCFP4_1024b376","FCFP4_1024b923","FCFP4_1024b54","FCFP4_1024b492","FCFP4_1024b65","FCFP4_1024b357","FCFP4_1024b412","FCFP4_1024b752","FCFP4_1024b846","FCFP4_1024b937","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","FCFP4_1024b135","FCFP4_1024b136","FCFP4_1024b137","FCFP4_1024b138","FCFP4_1024b139","pXC50" {18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.8} {0 CHEMBL10061,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.1} {0 CHEMBL10070,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 4.7} {0 CHEMBL10075,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.9} {0 CHEMBL108285,15 1,18 1,23 1,24 1,26 1,34 1,67 1,90 1,100 1,103 5.921} {0 CHEMBL108536,15 1,18 1,23 1,24 1,26 1,34 1,67 1,90 1,100 1,103 6.337} {0 CHEMBL108610,1 1,6 1,15 1,18 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 6.347} {0 CHEMBL109629,15 1,23 1,24 1,26 1,34 1,67 1,90 1,100 1,103 5.721} {0 CHEMBL110960,1 1,6 1,15 1,18 1,23 1,24 1,26 1,28 1,34 1,67 1,100 1,103 6.398} {0 CHEMBL111282,15 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 4.585} {0 CHEMBL111351,15 1,26 1,34 1,67 1,100 1,103 5.824} {0 CHEMBL1202256,15 1,27 1,34 1,67 1,103 4.678} {0 CHEMBL1202258,15 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,103 5} {0 CHEMBL1202261,15 1,27 1,30 1,31 1,32 1,33 1,34 1,38 1,70 1,103 4.495} {0 CHEMBL1202262,15 1,34 1,67 1,70 1,102 1,103 5.222} {0 CHEMBL1202264,15 1,27 1,34 1,67 1,70 1,103 4.959} {0 CHEMBL1202266,15 1,27 1,34 1,67 1,70 1,103 4.638} {0 CHEMBL1202267,15 1,21 1,22 1,26 1,34 1,53 1,67 1,85 1,102 1,103 5.041} {0 CHEMBL1202271,15 1,18 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,90 1,103 5} {0 CHEMBL1202272,15 1,27 1,34 1,67 1,70 1,102 1,103 4.276} {0 CHEMBL1202273,15 1,27 1,30 1,31 1,32 1,33 1,34 1,103 5.796} {0 CHEMBL1202274,15 1,27 1,30 1,31 1,32 1,33 1,34 1,48 1,59 1,103 5.377} {0 CHEMBL1202275,15 1,27 1,34 1,67 1,70 1,102 1,103 4.745} {0 CHEMBL1202276,15 1,21 1,22 1,26 1,27 1,34 1,53 1,67 1,85 1,103 4.854} {0 CHEMBL1202278,15 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,90 1,103 4.569} {0 CHEMBL1202279,14 1,15 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,103 4.854} {0 CHEMBL1202282,15 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,90 1,103 5.638} {0 CHEMBL1202283,15 1,18 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,90 1,103 4.456} {0 CHEMBL1202286,15 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,103 4.699} {0 CHEMBL1202607,1 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 1,16 1,17 1,18 1,19 1,23 1,24 1,25 1,28 1,34 1,103 6.766} {0 CHEMBL1202608,1 1,2 1,3 1,4 1,5 1,6 1,8 1,9 1,10 1,16 1,17 1,18 1,19 1,23 1,24 1,28 1,34 1,82 1,96 1,103 6.57} {0 CHEMBL1202614,1 1,2 1,3 1,6 1,18 1,23 1,24 1,28 1,34 1,70 1,81 1,82 1,96 1,103 6.32} {0 CHEMBL1202615,1 1,2 1,3 1,4 1,5 1,6 1,8 1,9 1,10 1,16 1,17 1,18 1,19 1,23 1,24 1,28 1,34 1,82 1,96 1,103 6.596} {0 CHEMBL1202621,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 6.959} {0 CHEMBL1202629,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.691} {0 CHEMBL1202638,1 1,2 1,3 1,4 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 5.585} {0 CHEMBL1202640,1 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.295} {0 CHEMBL1202641,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 5.674} {0 CHEMBL1202642,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,90 1,103 6.479} {0 CHEMBL1202643,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.594} {0 CHEMBL1202644,1 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.427} {0 CHEMBL1202645,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.407} {0 CHEMBL1202646,1 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 1,16 1,17 1,18 1,19 1,23 1,24 1,25 1,28 1,34 1,103 6.252} {0 CHEMBL1202647,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,90 1,103 7.199} {0 CHEMBL1202648,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.527} {0 CHEMBL1202649,1 1,2 1,3 1,4 1,5 1,6 1,8 1,9 1,10 1,16 1,17 1,18 1,19 1,23 1,24 1,28 1,34 1,82 1,96 1,103 6.525} {0 CHEMBL1202650,1 1,2 1,3 1,6 1,18 1,23 1,24 1,28 1,34 1,70 1,94 1,103 5} {0 CHEMBL1202651,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.824} {0 CHEMBL1202652,1 1,2 1,3 1,6 1,18 1,23 1,24 1,28 1,34 1,70 1,82 1,96 1,103 5.502} {0 CHEMBL1202653,1 1,2 1,3 1,6 1,18 1,23 1,24 1,28 1,34 1,70 1,82 1,96 1,103 6.298} {0 CHEMBL1202654,1 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 1,16 1,17 1,18 1,19 1,23 1,24 1,25 1,28 1,34 1,103 6.628} {0 CHEMBL1202655,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.712} {0 CHEMBL1202656,1 1,2 1,3 1,4 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,23 1,24 1,25 1,28 1,34 1,70 1,103 6.766} {0 CHEMBL1202657,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,28 1,34 1,63 1,85 1,103 5.833} {0 CHEMBL1202658,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.684} {0 CHEMBL1202659,1 1,2 1,3 1,4 1,5 1,6 1,8 1,9 1,10 1,16 1,17 1,18 1,19 1,23 1,24 1,28 1,34 1,82 1,96 1,103 6.678} {0 CHEMBL1202660,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.601} {0 CHEMBL1202661,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.921} {0 CHEMBL1202662,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,28 1,34 1,70 1,103 6.188} {0 CHEMBL1202663,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,28 1,34 1,70 1,103 6.904} {0 CHEMBL1202665,1 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,28 1,34 1,70 1,103 6.483} {0 CHEMBL1202666,1 1,2 1,3 1,4 1,5 1,6 1,8 1,9 1,10 1,16 1,17 1,18 1,19 1,23 1,24 1,28 1,34 1,82 1,96 1,103 6.642} {0 CHEMBL1202667,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,23 1,24 1,25 1,28 1,34 1,70 1,103 6.921} {0 CHEMBL1202668,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,23 1,24 1,25 1,28 1,34 1,70 1,103 6.692} {0 CHEMBL1202669,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,90 1,103 6.461} {0 CHEMBL1202670,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,90 1,103 6.427} {0 CHEMBL1202671,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.626} {0 CHEMBL1202672,1 1,2 1,3 1,6 1,18 1,23 1,24 1,28 1,34 1,70 1,82 1,96 1,103 7.398} {0 CHEMBL1202673,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.604} {0 CHEMBL1202674,1 1,2 1,3 1,6 1,7 1,10 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 5.45} {0 CHEMBL1202675,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,103 6.545} {0 CHEMBL1202676,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 5.783} {0 CHEMBL1202677,1 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 1,16 1,17 1,18 1,19 1,23 1,24 1,25 1,28 1,34 1,103 6.557} {0 CHEMBL1202678,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.695} {0 CHEMBL1202679,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 5} {0 CHEMBL1202680,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,81 1,103 5.619} {0 CHEMBL1202681,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,28 1,34 1,103 6.921} {0 CHEMBL1202682,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 5} {0 CHEMBL1202683,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,103 6.362} {0 CHEMBL1203469,15 1,21 1,22 1,26 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 5.569} {0 CHEMBL1203470,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,82 1,85 1,103 5.276} {0 CHEMBL1203471,15 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,103 4.301} {0 CHEMBL1203472,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,82 1,85 1,103 5.208} {0 CHEMBL1203474,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,96 1,97 1,103 5.509} {0 CHEMBL1203475,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,96 1,97 1,103 5.174} {0 CHEMBL1203478,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,97 1,103 5.796} {0 CHEMBL1203479,15 1,18 1,21 1,22 1,23 1,24 1,26 1,27 1,28 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,90 1,97 1,103 4.721} {0 CHEMBL1203480,7 1,13 1,15 1,27 1,30 1,31 1,32 1,33 1,34 1,38 1,70 1,103 4.432} {0 CHEMBL1203481,15 1,27 1,34 1,67 1,70 1,102 1,103 4.481} {0 CHEMBL1203482,15 1,27 1,30 1,31 1,32 1,33 1,34 1,48 1,59 1,70 1,103 5.699} {0 CHEMBL1203483,15 1,18 1,21 1,22 1,23 1,24 1,26 1,27 1,28 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,90 1,97 1,103 5.367} {0 CHEMBL1203485,15 1,27 1,34 1,67 1,70 1,103 4.824} {0 CHEMBL1203487,15 1,27 1,30 1,31 1,32 1,33 1,34 1,103 4.585} {0 CHEMBL1203488,15 1,27 1,30 1,31 1,32 1,33 1,34 1,103 5.155} {0 CHEMBL1203489,15 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,103 4.569} {0 CHEMBL1203491,15 1,21 1,22 1,26 1,27 1,30 1,31 1,32 1,33 1,34 1,67 1,82 1,97 1,103 5.009} {0 CHEMBL1203492,15 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,103 5.699} {0 CHEMBL1203493,3 1,6 1,15 1,21 1,22 1,27 1,34 1,67 1,70 1,82 1,97 1,103 4.77} {0 CHEMBL1203497,15 1,21 1,22 1,26 1,27 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,103 5.046} {0 CHEMBL1203501,15 1,21 1,22 1,27 1,34 1,67 1,82 1,97 1,103 5.538} {0 CHEMBL1203502,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,97 1,103 5.102} {0 CHEMBL1203503,15 1,27 1,34 1,67 1,70 1,103 6.523} {0 CHEMBL1203505,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,97 1,103 4.553} {0 CHEMBL1203506,15 1,27 1,34 1,67 1,70 1,103 5.824} {0 CHEMBL1203508,15 1,21 1,22 1,26 1,27 1,34 1,53 1,67 1,85 1,102 1,103 5.398} {0 CHEMBL1203509,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,103 5.056} {0 CHEMBL1203510,15 1,26 1,27 1,34 1,58 1,67 1,70 1,103 5.284} {0 CHEMBL1203511,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,97 1,103 5.041} {0 CHEMBL1203512,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,103 5.886} {0 CHEMBL1203513,15 1,26 1,27 1,34 1,58 1,67 1,70 1,103 4.495} {0 CHEMBL1203518,15 1,21 1,22 1,26 1,27 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 5.131} {0 CHEMBL1203519,15 1,21 1,22 1,26 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 6.155} {0 CHEMBL1203520,15 1,21 1,22 1,26 1,27 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 6.018} {0 CHEMBL1203522,15 1,21 1,22 1,26 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,103 5.824} {0 CHEMBL1203525,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,85 1,103 5.77} {0 CHEMBL1203526,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,97 1,103 6} {0 CHEMBL1203527,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,97 1,103 5.119} {0 CHEMBL1203528,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,85 1,103 5.046} {0 CHEMBL1203529,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,103 5.745} {0 CHEMBL1203530,15 1,18 1,21 1,22 1,23 1,24 1,26 1,27 1,28 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,103 5.921} {0 CHEMBL1203531,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,97 1,103 5.796} {0 CHEMBL1203532,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,96 1,97 1,103 6.027} {0 CHEMBL1203533,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,96 1,97 1,103 5.745} {0 CHEMBL1237144,15 1,21 1,22 1,26 1,34 1,53 1,67 1,85 1,103 4.796} {0 CHEMBL137379,15 1,23 1,24 1,27 1,28 1,34 1,103 6.276} {0 CHEMBL137700,15 1,19 1,28 1,34 1,58 1,68 1,103 4.851} {0 CHEMBL137742,3 1,7 1,19 1,34 1,68 1,103 5.42} {0 CHEMBL145703,15 1,27 1,34 1,67 1,70 1,103 4.398} {0 CHEMBL149689,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,97 1,103 4.602} {0 CHEMBL149745,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,82 1,85 1,102 1,103 6.222} {0 CHEMBL1502,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6} {0 CHEMBL1503,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6.493} {0 CHEMBL150906,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,75 1,85 1,97 1,102 1,103 6.155} {0 CHEMBL152894,15 1,21 1,22 1,26 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,75 1,85 1,97 1,103 5.481} {0 CHEMBL153055,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,53 1,82 1,103 5.155} {0 CHEMBL153222,3 1,6 1,15 1,21 1,22 1,27 1,34 1,67 1,70 1,82 1,97 1,103 5.155} {0 CHEMBL153322,15 1,27 1,30 1,31 1,32 1,33 1,34 1,103 5.886} {0 CHEMBL153461,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,97 1,102 1,103 5.155} {0 CHEMBL153465,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,75 1,85 1,97 1,103 5.119} {0 CHEMBL153567,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,82 1,97 1,103 5.921} {0 CHEMBL153711,15 1,18 1,23 1,24 1,27 1,28 1,30 1,31 1,32 1,33 1,34 1,70 1,90 1,103 4.222} {0 CHEMBL153719,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,67 1,70 1,75 1,85 1,97 1,103 4.623} {0 CHEMBL1744197,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,97 1,103 4.959} {0 CHEMBL1744198,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,103 5.222} {0 CHEMBL1744200,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,103 5.155} {0 CHEMBL1744201,7 1,13 1,15 1,21 1,22 1,25 1,27 1,30 1,31 1,32 1,33 1,34 1,53 1,82 1,103 4.959} {0 CHEMBL1744203,15 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,103 4.62} {0 CHEMBL1744209,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,53 1,82 1,103 4.347} {0 CHEMBL1744210,15 1,21 1,22 1,34 1,53 1,67 1,103 5.046} {0 CHEMBL1744211,15 1,21 1,22 1,27 1,34 1,53 1,67 1,103 4.523} {0 CHEMBL1744212,7 1,13 1,15 1,21 1,22 1,27 1,30 1,31 1,32 1,33 1,34 1,70 1,82 1,97 1,103 5.046} {0 CHEMBL1790041,6 1,7 1,13 1,15 1,34 1,68 1,103 7.398} {0 CHEMBL19577,14 1,21 1,22 1,24 1,26 1,28 1,30 1,34 1,63 1,85 1,103 6.155} {0 CHEMBL19703,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,102 1,103 4.602} {0 CHEMBL19714,15 1,21 1,22 1,26 1,34 1,58 1,63 1,85 1,103 6.155} {0 CHEMBL19851,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,102 1,103 5.194} {0 CHEMBL19987,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 5.131} {0 CHEMBL19992,6 1,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,85 1,103 4} {0 CHEMBL20014,15 1,21 1,22 1,23 1,24 1,26 1,34 1,58 1,63 1,81 1,85 1,90 1,103 5.569} {0 CHEMBL20023,1 1,6 1,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,85 1,103 4.62} {0 CHEMBL20032,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 5.367} {0 CHEMBL20083,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 4.222} {0 CHEMBL20090,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,85 1,90 1,103 5.796} {0 CHEMBL20098,15 1,21 1,22 1,26 1,29 1,34 1,63 1,67 1,85 1,103 4} {0 CHEMBL20151,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,56 1,58 1,63 1,85 1,90 1,103 5.377} {0 CHEMBL20162,15 1,21 1,22 1,23 1,24 1,26 1,34 1,58 1,63 1,85 1,90 1,103 6.699} {0 CHEMBL20201,15 1,21 1,22 1,26 1,34 1,58 1,63 1,81 1,85 1,103 5.824} {0 CHEMBL20245,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 5.495} {0 CHEMBL20286,15 1,21 1,22 1,26 1,29 1,34 1,43 1,58 1,63 1,85 1,102 1,103 4.921} {0 CHEMBL20309,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,81 1,85 1,103 5.357} {0 CHEMBL20315,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,58 1,63 1,85 1,90 1,103 5.678} {0 CHEMBL20321,3 1,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,85 1,103 5.585} {0 CHEMBL20351,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 6.155} {0 CHEMBL20364,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 5.102} {0 CHEMBL20372,15 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,81 1,85 1,90 1,103 5.032} {0 CHEMBL20535,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,85 1,103 5.678} {0 CHEMBL273395,1 1,6 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6} {0 CHEMBL273600,21 1,22 1,23 1,24 1,26 1,34 1,43 1,63 1,90 1,100 1,103 5.5} {0 CHEMBL275945,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.9} {0 CHEMBL277030,15 1,19 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 4} {0 CHEMBL277211,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,85 1,103 6.097} {0 CHEMBL277468,15 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,81 1,85 1,90 1,103 5.071} {0 CHEMBL277680,6 1,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,56 1,58 1,63 1,85 1,90 1,103 4} {0 CHEMBL278628,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,85 1,90 1,103 4.959} {0 CHEMBL279086,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,102 1,103 4} {0 CHEMBL279089,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 6.222} {0 CHEMBL279479,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,102 1,103 4.62} {0 CHEMBL280124,15 1,21 1,22 1,26 1,34 1,58 1,63 1,85 1,103 4.796} {0 CHEMBL281138,1 1,6 1,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,56 1,58 1,63 1,85 1,103 5.276} {0 CHEMBL282218,15 1,21 1,22 1,26 1,34 1,58 1,63 1,85 1,103 6.097} {0 CHEMBL282226,15 1,21 1,22 1,26 1,29 1,34 1,63 1,67 1,68 1,85 1,103 6.222} {0 CHEMBL282272,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,103 4.87} {0 CHEMBL282434,15 1,21 1,22 1,26 1,29 1,34 1,58 1,63 1,85 1,103 5.409} {0 CHEMBL282907,15 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,29 1,34 1,58 1,63 1,85 1,90 1,103 5.268} {0 CHEMBL293244,3 1,7 1,34 1,103 6.886} {0 CHEMBL296417,16 1,17 1,19 1,34 1,103 6.004} {0 CHEMBL296482,3 1,4 1,7 1,23 1,24 1,34 1,103 7.194} {0 CHEMBL296544,15 1,28 1,34 1,58 1,103 5.836} {0 CHEMBL30,6 1,7 1,15 1,21 1,22 1,26 1,34 1,82 1,84 1,93 1,103 4} {0 CHEMBL300203,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,16 1,17 1,18 1,19 1,20 1,21 1,22 1,23 1,24 1,25 1,26 1,28 1,34 1,63 1,85 1,103 5.731} {0 CHEMBL317568,23 1,24 1,28 1,34 1,55 1,90 1,103 5.319} {0 CHEMBL317569,15 1,23 1,24 1,27 1,28 1,34 1,42 1,55 1,90 1,103 4} {0 CHEMBL318468,18 1,23 1,24 1,28 1,34 1,55 1,90 1,103 5.469} {0 CHEMBL319824,15 1,23 1,24 1,27 1,28 1,34 1,55 1,85 1,90 1,102 1,103 4} {0 CHEMBL320710,1 1,6 1,15 1,18 1,23 1,24 1,26 1,27 1,28 1,34 1,67 1,90 1,100 1,103 4.229} {0 CHEMBL322809,15 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 4.78} {0 CHEMBL323189,15 1,18 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 6.229} {0 CHEMBL325803,1 1,6 1,15 1,18 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 5.77} {0 CHEMBL327592,23 1,24 1,28 1,34 1,55 1,66 1,90 1,103 4.77} {0 CHEMBL327627,23 1,24 1,28 1,34 1,55 1,90 1,102 1,103 5.244} {0 CHEMBL327653,34 1,55 1,103 5.319} {0 CHEMBL327717,3 1,15 1,23 1,24 1,26 1,28 1,34 1,90 1,103 4.745} {0 CHEMBL328181,23 1,24 1,28 1,34 1,55 1,103 4} {0 CHEMBL328883,23 1,24 1,28 1,34 1,55 1,90 1,102 1,103 4.854} {0 CHEMBL329044,23 1,24 1,28 1,34 1,55 1,90 1,103 5.086} {0 CHEMBL356633,15 1,21 1,22 1,26 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 6.155} {0 CHEMBL357482,6 1,15 1,21 1,22 1,25 1,27 1,30 1,31 1,32 1,33 1,34 1,53 1,82 1,103 5.155} {0 CHEMBL357715,15 1,21 1,22 1,26 1,27 1,29 1,34 1,67 1,70 1,75 1,85 1,97 1,102 1,103 5.745} {0 CHEMBL357729,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,75 1,85 1,97 1,102 1,103 6.229} {0 CHEMBL358041,15 1,21 1,22 1,26 1,27 1,29 1,30 1,31 1,32 1,33 1,34 1,82 1,85 1,102 1,103 5.959} {0 CHEMBL416731,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,85 1,103 5.699} {0 CHEMBL422329,15 1,27 1,34 1,67 1,72 1,103 5.222} {0 CHEMBL423289,15 1,21 1,22 1,26 1,29 1,34 1,56 1,58 1,63 1,81 1,85 1,103 4} {0 CHEMBL433094,15 1,19 1,22 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 4} {0 CHEMBL43945,3 1,4 1,7 1,23 1,24 1,34 1,103 6.398} {0 CHEMBL45835,16 1,17 1,19 1,34 1,103 4.757} {0 CHEMBL46595,15 1,23 1,28 1,34 1,58 1,96 1,103 5.093} {0 CHEMBL47529,3 1,7 1,23 1,24 1,28 1,34 1,103 7.187} {0 CHEMBL480,1 1,6 1,21 1,22 1,23 1,24 1,26 1,34 1,63 1,85 1,100 1,103 6.4} {0 CHEMBL50136,1 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 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,43 1,102 1,103 6.35} {0 CHEMBL50474,1 1,2 1,3 1,6 1,7 1,11 1,12 1,13 1,14 1,18 1,20 1,23 1,24 1,25 1,28 1,34 1,70 1,102 1,103 5.712} {0 CHEMBL51198,1 1,2 1,3 1,4 1,6 1,7 1,8 1,9 1,10 1,11 1,12 1,13 1,14 1,16 1,17 1,18 1,19 1,20 1,23 1,24 1,25 1,28 1,34 1,71 1,103 5.585} {0 CHEMBL54932,3 1,15 1,22 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,103 4.009} {0 CHEMBL57148,3 1,15 1,22 1,23 1,24 1,26 1,28 1,34 1,67 1,81 1,90 1,100 1,103 4.62} {0 CHEMBL58203,3 1,15 1,22 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,102 1,103 4} {0 CHEMBL58681,3 1,15 1,22 1,23 1,24 1,26 1,28 1,34 1,67 1,90 1,100 1,102 1,103 4.481} {0 CHEMBL64216,15 1,23 1,24 1,28 1,34 1,58 1,103 6.509} {0 CHEMBL93552,23 1,24 1,28 1,34 1,55 1,90 1,103 4} {0 CHEMBL93661,15 1,23 1,24 1,27 1,28 1,34 1,55 1,85 1,90 1,103 4.097} {0 CHEMBL9427,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 5.8} {0 CHEMBL9430,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.6} {0 CHEMBL9443,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6.2} {0 CHEMBL95140,23 1,24 1,28 1,34 1,55 1,90 1,102 1,103 4.143} {0 CHEMBL9539,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 6} {0 CHEMBL9585,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6.4} {0 CHEMBL9638,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.3} {0 CHEMBL9658,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 4.8} {0 CHEMBL9694,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 5.4} {0 CHEMBL97122,23 1,24 1,28 1,34 1,55 1,66 1,90 1,103 5.143} {0 CHEMBL97334,15 1,23 1,24 1,27 1,28 1,34 1,42 1,55 1,90 1,102 1,103 4} {0 CHEMBL9768,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 4.2} {0 CHEMBL9786,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 4.5} {0 CHEMBL9800,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 5.6} {0 CHEMBL9845,21 1,22 1,23 1,24 1,26 1,34 1,43 1,63 1,90 1,100 1,103 5.1} {0 CHEMBL9856,1 1,6 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6.1} {0 CHEMBL9890,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 6.3} {0 CHEMBL9959,18 1,21 1,22 1,23 1,24 1,26 1,34 1,63 1,90 1,100 1,103 5.6} {0 CHEMBL9992,1 1,6 1,18 1,21 1,22 1,23 1,24 1,26 1,28 1,34 1,63 1,85 1,90 1,100 1,103 5.6}