"molecule_id","FCFP4_1024b868","FCFP4_1024b426","FCFP4_1024b863","FCFP4_1024b134","FCFP4_1024b782","FCFP4_1024b203","FCFP4_1024b20","FCFP4_1024b787","FCFP4_1024b748","FCFP4_1024b808","FCFP4_1024b858","FCFP4_1024b717","FCFP4_1024b451","FCFP4_1024b821","FCFP4_1024b548","FCFP4_1024b539","FCFP4_1024b563","FCFP4_1024b734","FCFP4_1024b519","FCFP4_1024b570","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_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","pXC50" {7 1,8 1,21 1,36 1,44 1,70 1,89 1,103 5} {0 CHEMBL101253,11 1,21 1,89 1,103 5} {0 CHEMBL101311,11 1,21 1,22 1,89 1,103 5.3} {0 CHEMBL103667,13 1,14 1,19 1,21 1,22 1,55 1,103 5} {0 CHEMBL105442,21 1,89 1,103 5} {0 CHEMBL1081312,7 1,16 1,17 1,21 1,46 1,94 1,103 5.3} {0 CHEMBL1082440,7 1,21 1,22 1,50 1,72 1,103 5.9} {0 CHEMBL1084546,11 1,21 1,55 1,69 1,103 6} {0 CHEMBL1090356,8 1,11 1,21 1,55 1,57 1,84 1,103 5.9} {0 CHEMBL1090360,8 1,11 1,21 1,55 1,57 1,84 1,103 5.9} {0 CHEMBL1091041,1 1,21 1,45 1,58 1,89 1,103 6.829} {0 CHEMBL1091042,1 1,21 1,45 1,58 1,78 1,103 6.804} {0 CHEMBL1091764,1 1,21 1,45 1,58 1,89 1,103 6.461} {0 CHEMBL1091765,1 1,21 1,45 1,58 1,89 1,103 6.444} {0 CHEMBL1091766,1 1,21 1,44 1,45 1,58 1,89 1,103 6.555} {0 CHEMBL1091784,1 1,21 1,58 1,89 1,103 6.644} {0 CHEMBL1091785,1 1,21 1,45 1,58 1,89 1,103 6.555} {0 CHEMBL1091786,1 1,21 1,44 1,45 1,58 1,103 6.146} {0 CHEMBL1091787,1 1,21 1,45 1,58 1,89 1,103 6.276} {0 CHEMBL1092139,1 1,21 1,45 1,58 1,103 6.536} {0 CHEMBL1094004,1 1,21 1,45 1,58 1,78 1,103 6.403} {0 CHEMBL1094005,1 1,21 1,45 1,58 1,103 6.273} {0 CHEMBL116070,21 1,89 1,103 5.9} {0 CHEMBL1164180,8 1,21 1,22 1,55 1,69 1,86 1,89 1,99 1,103 5.4} {0 CHEMBL1173655,11 1,21 1,22 1,55 1,89 1,94 1,103 5} {0 CHEMBL117697,11 1,21 1,78 1,94 1,103 4.9} {0 CHEMBL1178727,8 1,21 1,46 1,103 4} {0 CHEMBL1190711,8 1,21 1,78 1,82 1,84 1,103 5.9} {0 CHEMBL119385,21 1,27 1,38 1,89 1,103 5} {0 CHEMBL1230020,7 1,16 1,17 1,21 1,55 1,89 1,103 5} {0 CHEMBL1230122,1 1,21 1,55 1,89 1,103 5.9} {0 CHEMBL1230165,11 1,21 1,35 1,89 1,103 7.77} {0 CHEMBL1233887,7 1,21 1,78 1,84 1,103 5.3} {0 CHEMBL1236107,21 1,103 5} {0 CHEMBL1236126,21 1,55 1,59 1,103 5.9} {0 CHEMBL1240703,21 1,28 1,64 1,80 1,103 5} {0 CHEMBL1241473,11 1,21 1,40 1,78 1,103 6.7} {0 CHEMBL1241674,1 1,7 1,21 1,46 1,73 1,94 1,103 7.387} {0 CHEMBL1242373,8 1,13 1,14 1,21 1,41 1,46 1,47 1,55 1,94 1,103 5.9} {0 CHEMBL124660,21 1,22 1,55 1,78 1,103 5} {0 CHEMBL1287853,11 1,21 1,22 1,77 1,103 8.921} {0 CHEMBL1289926,7 1,21 1,24 1,47 1,56 1,70 1,87 1,96 1,103 5} {0 CHEMBL1336,13 1,14 1,21 1,55 1,56 1,69 1,87 1,89 1,96 1,103 5} {0 CHEMBL1375640,21 1,46 1,65 1,89 1,103 5.9} {0 CHEMBL1421,21 1,22 1,36 1,55 1,89 1,103 5} {0 CHEMBL1421720,21 1,55 1,87 1,103 5.3} {0 CHEMBL14762,3 1,21 1,55 1,103 5} {0 CHEMBL148471,7 1,8 1,21 1,73 1,78 1,103 6} {0 CHEMBL1516890,13 1,21 1,55 1,87 1,103 5.9} {0 CHEMBL1614701,21 1,59 1,89 1,103 5} {0 CHEMBL1614705,7 1,8 1,21 1,24 1,70 1,89 1,103 5.9} {0 CHEMBL162,21 1,56 1,64 1,80 1,103 5.824} {0 CHEMBL1624529,21 1,31 1,89 1,103 5.9} {0 CHEMBL1682341,6 1,7 1,21 1,24 1,49 1,73 1,103 6.4} {0 CHEMBL1682345,6 1,7 1,8 1,9 1,12 1,15 1,18 1,21 1,24 1,49 1,67 1,73 1,103 6.5} {0 CHEMBL1682346,3 1,6 1,7 1,8 1,9 1,12 1,15 1,18 1,21 1,24 1,46 1,67 1,100 1,103 6.6} {0 CHEMBL1682357,7 1,8 1,21 1,24 1,49 1,73 1,103 6.6} {0 CHEMBL1682359,7 1,8 1,21 1,24 1,49 1,73 1,103 7} {0 CHEMBL1682360,7 1,8 1,21 1,22 1,24 1,49 1,73 1,89 1,103 6.1} {0 CHEMBL1682540,7 1,8 1,24 1,49 1,58 1,73 1,103 6} {0 CHEMBL1682545,7 1,8 1,11 1,24 1,49 1,58 1,73 1,103 5.9} {0 CHEMBL1682546,7 1,8 1,21 1,24 1,40 1,49 1,55 1,58 1,73 1,103 5.9} {0 CHEMBL1682552,1 1,7 1,8 1,21 1,24 1,49 1,55 1,73 1,103 5.9} {0 CHEMBL1682553,7 1,8 1,21 1,24 1,49 1,55 1,73 1,103 6.6} {0 CHEMBL1682558,7 1,8 1,21 1,22 1,24 1,49 1,73 1,89 1,103 5.9} {0 CHEMBL1721885,7 1,21 1,22 1,55 1,70 1,73 1,89 1,103 6.511} {0 CHEMBL17370,7 1,8 1,21 1,36 1,44 1,78 1,89 1,103 5.9} {0 CHEMBL1765781,21 1,22 1,34 1,55 1,56 1,103 6} {0 CHEMBL1789941,7 1,16 1,17 1,21 1,22 1,59 1,91 1,103 7.051} {0 CHEMBL180022,10 1,11 1,21 1,22 1,55 1,87 1,103 5} {0 CHEMBL1825138,21 1,46 1,72 1,89 1,99 1,103 5.3} {0 CHEMBL183844,8 1,13 1,14 1,21 1,26 1,55 1,103 5.9} {0 CHEMBL184847,8 1,13 1,14 1,21 1,55 1,103 5.9} {0 CHEMBL185569,8 1,13 1,14 1,21 1,55 1,103 5.9} {0 CHEMBL1870106,6 1,9 1,21 1,46 1,58 1,103 7.1} {0 CHEMBL1879463,8 1,21 1,22 1,57 1,99 1,103 5.3} {0 CHEMBL189963,21 1,103 6.9} {0 CHEMBL1908391,8 1,21 1,22 1,55 1,58 1,89 1,103 5} {0 CHEMBL1908392,3 1,5 1,7 1,21 1,22 1,28 1,73 1,84 1,103 5.678} {0 CHEMBL1908393,21 1,22 1,55 1,78 1,103 5.509} {0 CHEMBL1908394,21 1,22 1,69 1,89 1,103 5.26} {0 CHEMBL1908395,7 1,21 1,22 1,44 1,55 1,103 5.328} {0 CHEMBL1908396,14 1,21 1,55 1,78 1,84 1,103 5} {0 CHEMBL1908397,7 1,21 1,24 1,70 1,103 6.509} {0 CHEMBL191003,11 1,21 1,43 1,46 1,89 1,103 5.284} {0 CHEMBL1929238,13 1,14 1,19 1,21 1,22 1,26 1,55 1,89 1,103 4.495} {0 CHEMBL1949855,21 1,89 1,103 4.9} {0 CHEMBL1958401,4 1,14 1,21 1,89 1,103 5.9} {0 CHEMBL196363,8 1,13 1,14 1,21 1,41 1,46 1,47 1,55 1,94 1,103 5.9} {0 CHEMBL1964290,7 1,8 1,21 1,46 1,103 6.3} {0 CHEMBL1964307,7 1,8 1,21 1,24 1,46 1,55 1,73 1,103 5.9} {0 CHEMBL1964382,21 1,103 6.3} {0 CHEMBL1964399,11 1,21 1,61 1,78 1,103 7.7} {0 CHEMBL1964413,6 1,7 1,8 1,9 1,12 1,15 1,18 1,21 1,24 1,44 1,49 1,67 1,69 1,73 1,103 5.9} {0 CHEMBL1964441,8 1,13 1,14 1,21 1,46 1,54 1,55 1,56 1,103 5.3} {0 CHEMBL1964444,13 1,14 1,21 1,55 1,69 1,84 1,103 5.9} {0 CHEMBL1964644,14 1,21 1,55 1,71 1,103 5.9} {0 CHEMBL1964687,8 1,13 1,14 1,21 1,41 1,44 1,46 1,47 1,55 1,94 1,103 5.9} {0 CHEMBL1964692,8 1,13 1,14 1,21 1,46 1,55 1,69 1,84 1,103 5.9} {0 CHEMBL1964718,21 1,103 4.2} {0 CHEMBL1964804,8 1,21 1,99 1,103 5.9} {0 CHEMBL1964902,19 1,21 1,55 1,103 5.3} {0 CHEMBL1964937,7 1,16 1,17 1,21 1,103 5.9} {0 CHEMBL1964948,13 1,14 1,19 1,21 1,22 1,55 1,103 5.3} {0 CHEMBL1965033,13 1,14 1,21 1,55 1,69 1,81 1,89 1,103 5.3} {0 CHEMBL1965131,21 1,55 1,89 1,103 5.9} {0 CHEMBL1965169,7 1,8 1,11 1,21 1,103 5.3} {0 CHEMBL1965170,8 1,13 1,14 1,21 1,46 1,55 1,78 1,103 5.3} {0 CHEMBL1965387,7 1,8 1,13 1,14 1,21 1,24 1,46 1,55 1,89 1,100 1,103 5.3} {0 CHEMBL1965423,8 1,21 1,46 1,57 1,59 1,70 1,84 1,89 1,103 5.9} {0 CHEMBL1965495,7 1,8 1,21 1,22 1,24 1,60 1,70 1,87 1,103 5.9} {0 CHEMBL1965507,13 1,14 1,21 1,41 1,46 1,55 1,93 1,94 1,103 5.7} {0 CHEMBL1965570,8 1,13 1,14 1,21 1,36 1,46 1,55 1,89 1,99 1,103 5.9} {0 CHEMBL1965589,8 1,21 1,55 1,84 1,87 1,89 1,101 1,103 5.9} {0 CHEMBL1965631,3 1,6 1,7 1,8 1,9 1,12 1,15 1,18 1,21 1,22 1,24 1,55 1,60 1,67 1,100 1,103 6} {0 CHEMBL1965660,3 1,7 1,8 1,21 1,46 1,89 1,103 6.4} {0 CHEMBL1965702,1 1,2 1,4 1,5 1,7 1,10 1,11 1,16 1,17 1,19 1,21 1,22 1,55 1,103 7.1} {0 CHEMBL1965836,7 1,8 1,21 1,24 1,70 1,99 1,103 6.6} {0 CHEMBL1965845,7 1,16 1,17 1,21 1,78 1,103 5.9} {0 CHEMBL1965910,7 1,8 1,21 1,22 1,46 1,47 1,94 1,103 5.9} {0 CHEMBL1965988,8 1,13 1,14 1,21 1,46 1,55 1,103 6.1} {0 CHEMBL1966069,6 1,7 1,21 1,24 1,49 1,73 1,103 5.9} {0 CHEMBL1966175,7 1,16 1,21 1,22 1,30 1,103 5.3} {0 CHEMBL1966204,3 1,6 1,7 1,8 1,9 1,12 1,15 1,18 1,21 1,24 1,55 1,67 1,89 1,100 1,103 7.3} {0 CHEMBL1966279,5 1,21 1,44 1,55 1,72 1,103 5.9} {0 CHEMBL1966343,7 1,8 1,21 1,24 1,46 1,73 1,103 7.6} {0 CHEMBL1966425,8 1,11 1,21 1,22 1,103 6} {0 CHEMBL1966501,21 1,22 1,44 1,46 1,69 1,89 1,103 5.3} {0 CHEMBL1966514,8 1,13 1,14 1,21 1,36 1,46 1,55 1,89 1,99 1,103 5.9} {0 CHEMBL1966524,7 1,21 1,63 1,73 1,103 7.2} {0 CHEMBL1966628,1 1,4 1,5 1,7 1,16 1,17 1,21 1,55 1,103 6.8} {0 CHEMBL1966703,7 1,21 1,24 1,70 1,89 1,103 5.9} {0 CHEMBL1966722,14 1,21 1,55 1,89 1,90 1,103 6.1} {0 CHEMBL1966808,21 1,36 1,55 1,103 7.4} {0 CHEMBL1966816,13 1,14 1,21 1,29 1,55 1,69 1,89 1,103 5.9} {0 CHEMBL1967094,7 1,8 1,21 1,24 1,60 1,80 1,89 1,103 5.9} {0 CHEMBL1967116,8 1,13 1,14 1,21 1,46 1,55 1,103 5.9} {0 CHEMBL1967252,7 1,8 1,21 1,24 1,70 1,99 1,103 5.7} {0 CHEMBL1967302,7 1,8 1,21 1,26 1,55 1,63 1,73 1,99 1,103 5.9} {0 CHEMBL1967336,13 1,14 1,21 1,29 1,55 1,84 1,103 5.3} {0 CHEMBL1967513,13 1,14 1,21 1,55 1,69 1,89 1,103 5.3} {0 CHEMBL1967531,8 1,13 1,14 1,21 1,41 1,46 1,47 1,55 1,94 1,103 5.9} {0 CHEMBL1967538,21 1,103 4.3} {0 CHEMBL1967544,8 1,21 1,99 1,102 1,103 6} {0 CHEMBL1967560,21 1,22 1,27 1,57 1,78 1,100 1,103 5.9} {0 CHEMBL1967564,7 1,21 1,24 1,55 1,60 1,100 1,103 5.9} {0 CHEMBL1967612,21 1,89 1,103 4.5} {0 CHEMBL1967720,8 1,13 1,14 1,21 1,46 1,55 1,89 1,103 5.9} {0 CHEMBL1967878,11 1,21 1,22 1,55 1,103 6.9} {0 CHEMBL1967887,7 1,8 1,21 1,24 1,70 1,99 1,103 5.9} {0 CHEMBL1967992,8 1,21 1,22 1,36 1,55 1,87 1,103 5.3} {0 CHEMBL1967998,7 1,11 1,21 1,22 1,24 1,49 1,73 1,103 6.7} {0 CHEMBL1968070,11 1,21 1,55 1,56 1,103 6} {0 CHEMBL1968127,8 1,21 1,22 1,52 1,55 1,57 1,84 1,89 1,103 5.9} {0 CHEMBL1968130,11 1,28 1,37 1,46 1,103 5.2} {0 CHEMBL1968151,21 1,36 1,55 1,103 6.8} {0 CHEMBL1968245,7 1,11 1,21 1,45 1,63 1,73 1,103 5.9} {0 CHEMBL1968380,21 1,22 1,37 1,78 1,103 7.1} {0 CHEMBL1968406,8 1,13 1,14 1,21 1,41 1,46 1,47 1,55 1,94 1,103 5.9} {0 CHEMBL1968515,21 1,103 5} {0 CHEMBL1968590,8 1,21 1,46 1,56 1,103 5.9} {0 CHEMBL1968705,7 1,8 1,11 1,21 1,22 1,24 1,49 1,55 1,58 1,73 1,103 5.6} {0 CHEMBL1968791,8 1,11 1,21 1,22 1,46 1,47 1,94 1,103 5.9} {0 CHEMBL1968850,11 1,21 1,55 1,56 1,103 5.9} {0 CHEMBL1968868,13 1,14 1,21 1,22 1,55 1,69 1,103 5.3} {0 CHEMBL1968930,2 1,4 1,5 1,7 1,10 1,11 1,16 1,17 1,21 1,52 1,55 1,103 7.6} {0 CHEMBL1969042,7 1,8 1,11 1,24 1,100 1,103 6.5} {0 CHEMBL1969049,8 1,21 1,36 1,44 1,78 1,103 5.9} {0 CHEMBL1969102,7 1,8 1,13 1,14 1,21 1,24 1,46 1,55 1,103 6} {0 CHEMBL1969126,6 1,8 1,21 1,57 1,84 1,89 1,103 5.9} {0 CHEMBL1969151,1 1,2 1,4 1,5 1,7 1,10 1,11 1,16 1,17 1,21 1,22 1,55 1,103 7.2} {0 CHEMBL1969190,8 1,13 1,14 1,21 1,46 1,55 1,78 1,103 5.9} {0 CHEMBL1969264,7 1,21 1,73 1,85 1,103 6.6} {0 CHEMBL1969301,21 1,22 1,44 1,55 1,59 1,87 1,91 1,103 5.9} {0 CHEMBL1969372,8 1,21 1,37 1,55 1,84 1,89 1,101 1,103 5.9} {0 CHEMBL1969502,7 1,21 1,48 1,55 1,59 1,63 1,103 5.9} {0 CHEMBL1969506,21 1,55 1,62 1,103 5.9} {0 CHEMBL1969523,11 1,21 1,61 1,103 7.8} {0 CHEMBL1969537,21 1,103 7.5} {0 CHEMBL1969561,6 1,7 1,8 1,9 1,12 1,21 1,24 1,28 1,49 1,73 1,103 5.9} {0 CHEMBL1969588,4 1,5 1,7 1,11 1,16 1,17 1,21 1,55 1,88 1,103 7.2} {0 CHEMBL1969664,7 1,21 1,22 1,73 1,84 1,87 1,89 1,103 5.4} {0 CHEMBL1969735,8 1,11 1,21 1,52 1,55 1,84 1,89 1,101 1,103 5.9} {0 CHEMBL1969843,6 1,7 1,8 1,9 1,18 1,21 1,24 1,30 1,49 1,67 1,73 1,103 6.2} {0 CHEMBL1969879,7 1,16 1,17 1,21 1,30 1,103 5.9} {0 CHEMBL1969942,7 1,8 1,13 1,14 1,21 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