"molecule_id","FCFP4_1024b101","FCFP4_1024b867","FCFP4_1024b471","FCFP4_1024b656","FCFP4_1024b808","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_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","pXC50"
{6 1,30 1,103 4.796}
{0 CHEMBL140323,6 1,30 1,54 1,62 1,103 4.62}
{0 CHEMBL141118,6 1,30 1,54 1,103 4.602}
{0 CHEMBL141869,6 1,30 1,54 1,103 4.523}
{0 CHEMBL142176,6 1,30 1,54 1,74 1,103 4.585}
{0 CHEMBL154935,6 1,30 1,54 1,94 1,103 4.745}
{0 CHEMBL157434,6 1,30 1,88 1,94 1,103 4.097}
{0 CHEMBL162498,6 1,52 1,81 1,103 5.401}
{0 CHEMBL162613,6 1,52 1,81 1,103 6.224}
{0 CHEMBL163096,6 1,52 1,81 1,103 4.523}
{0 CHEMBL163410,6 1,52 1,53 1,72 1,81 1,103 6.453}
{0 CHEMBL163411,6 1,52 1,81 1,90 1,103 6.351}
{0 CHEMBL163535,6 1,52 1,81 1,103 5}
{0 CHEMBL164289,6 1,52 1,62 1,81 1,103 5.617}
{0 CHEMBL164569,6 1,52 1,81 1,103 4.292}
{0 CHEMBL164624,6 1,52 1,81 1,103 5.959}
{0 CHEMBL165683,6 1,52 1,81 1,103 4}
{0 CHEMBL168524,6 1,7 1,22 1,30 1,35 1,71 1,103 7.959}
{0 CHEMBL169411,6 1,30 1,35 1,71 1,103 8.301}
{0 CHEMBL169726,6 1,35 1,39 1,40 1,71 1,103 5.071}
{0 CHEMBL169727,6 1,35 1,62 1,71 1,103 5.886}
{0 CHEMBL169921,6 1,30 1,35 1,71 1,103 8.097}
{0 CHEMBL171057,6 1,30 1,43 1,54 1,62 1,71 1,103 6.301}
{0 CHEMBL171314,6 1,30 1,35 1,62 1,71 1,103 7.398}
{0 CHEMBL172176,6 1,35 1,71 1,103 5.523}
{0 CHEMBL176072,6 1,87 1,103 5.745}
{0 CHEMBL179448,6 1,87 1,103 7.824}
{0 CHEMBL193275,6 1,25 1,30 1,78 1,103 4}
{0 CHEMBL195355,6 1,30 1,54 1,74 1,103 4.959}
{0 CHEMBL195578,6 1,30 1,54 1,103 4.638}
{0 CHEMBL196235,6 1,30 1,54 1,103 4.62}
{0 CHEMBL201617,6 1,30 1,54 1,103 4.62}
{0 CHEMBL214872,6 1,103 5.071}
{0 CHEMBL215133,6 1,103 6.046}
{0 CHEMBL216560,6 1,103 5.824}
{0 CHEMBL216675,6 1,34 1,38 1,74 1,80 1,103 5.387}
{0 CHEMBL217000,6 1,34 1,38 1,74 1,80 1,103 4.886}
{0 CHEMBL217227,6 1,34 1,38 1,74 1,80 1,103 5.959}
{0 CHEMBL217760,6 1,103 5.921}
{0 CHEMBL217765,6 1,34 1,103 6.398}
{0 CHEMBL224868,6 1,25 1,30 1,77 1,103 5.292}
{0 CHEMBL225071,6 1,68 1,81 1,90 1,103 5.244}
{0 CHEMBL225072,6 1,30 1,88 1,103 4.27}
{0 CHEMBL225180,6 1,25 1,30 1,77 1,103 6.569}
{0 CHEMBL235506,6 1,39 1,103 4.796}
{0 CHEMBL252132,6 1,103 7.161}
{0 CHEMBL252133,6 1,103 4.921}
{0 CHEMBL252134,6 1,74 1,103 5.824}
{0 CHEMBL252338,6 1,74 1,103 5.125}
{0 CHEMBL253581,6 1,62 1,103 4.824}
{0 CHEMBL253795,6 1,103 5.125}
{0 CHEMBL253796,6 1,103 4.699}
{0 CHEMBL25889,6 1,68 1,71 1,81 1,103 7.347}
{0 CHEMBL265510,6 1,30 1,68 1,71 1,103 7.046}
{0 CHEMBL275685,6 1,103 5.824}
{0 CHEMBL279395,6 1,14 1,77 1,89 1,98 1,103 5.699}
{0 CHEMBL291548,6 1,53 1,68 1,71 1,81 1,103 7.432}
{0 CHEMBL293823,6 1,103 4.745}
{0 CHEMBL299928,6 1,68 1,71 1,81 1,103 6.824}
{0 CHEMBL301256,6 1,30 1,35 1,71 1,103 7.367}
{0 CHEMBL301423,6 1,53 1,68 1,71 1,81 1,103 6.347}
{0 CHEMBL301844,6 1,39 1,103 6}
{0 CHEMBL303171,6 1,34 1,103 5.959}
{0 CHEMBL305610,6 1,39 1,40 1,103 4.398}
{0 CHEMBL305611,6 1,30 1,103 5.367}
{0 CHEMBL305926,6 1,30 1,103 4.921}
{0 CHEMBL306046,6 1,11 1,30 1,103 5.237}
{0 CHEMBL306172,6 1,30 1,103 4.367}
{0 CHEMBL306255,6 1,30 1,62 1,103 5.301}
{0 CHEMBL306308,6 1,30 1,74 1,103 5.699}
{0 CHEMBL306597,30 1,74 1,103 6.491}
{0 CHEMBL306705,30 1,74 1,103 6.573}
{0 CHEMBL306775,30 1,74 1,103 6.284}
{0 CHEMBL306790,30 1,103 5.735}
{0 CHEMBL307015,6 1,74 1,81 1,103 5.161}
{0 CHEMBL307237,6 1,30 1,68 1,103 5.114}
{0 CHEMBL307278,6 1,30 1,74 1,103 5.398}
{0 CHEMBL307518,6 1,74 1,81 1,103 4.484}
{0 CHEMBL308380,6 1,30 1,103 4.638}
{0 CHEMBL309184,6 1,30 1,103 5.174}
{0 CHEMBL310936,6 1,30 1,74 1,103 6.77}
{0 CHEMBL311149,6 1,30 1,103 4.229}
{0 CHEMBL312313,30 1,38 1,74 1,80 1,103 5.201}
{0 CHEMBL312542,6 1,30 1,68 1,103 5.833}
{0 CHEMBL320775,6 1,103 6.854}
{0 CHEMBL330484,6 1,28 1,39 1,71 1,103 5.824}
{0 CHEMBL34259,6 1,30 1,103 4.046}
{0 CHEMBL349723,6 1,30 1,52 1,103 6.854}
{0 CHEMBL350130,6 1,52 1,72 1,81 1,103 6.448}
{0 CHEMBL351403,6 1,52 1,81 1,103 6.194}
{0 CHEMBL351839,6 1,52 1,69 1,81 1,90 1,103 4.097}
{0 CHEMBL352620,6 1,43 1,62 1,71 1,103 5.284}
{0 CHEMBL353191,6 1,30 1,35 1,103 6.456}
{0 CHEMBL353700,6 1,7 1,22 1,35 1,62 1,71 1,103 5.31}
{0 CHEMBL353813,6 1,30 1,35 1,68 1,71 1,103 7.409}
{0 CHEMBL360335,6 1,30 1,87 1,103 9.523}
{0 CHEMBL360758,6 1,29 1,39 1,87 1,103 8.027}
{0 CHEMBL362606,6 1,87 1,103 9.523}
{0 CHEMBL364975,6 1,30 1,54 1,74 1,103 4.62}
{0 CHEMBL37062,6 1,30 1,39 1,55 1,103 5.699}
{0 CHEMBL371005,6 1,30 1,54 1,103 4.638}
{0 CHEMBL371698,6 1,30 1,54 1,74 1,103 4.638}
{0 CHEMBL371860,6 1,30 1,54 1,103 6.268}
{0 CHEMBL381413,6 1,30 1,54 1,74 1,103 4.553}
{0 CHEMBL386282,6 1,34 1,103 5.276}
{0 CHEMBL386442,6 1,103 6.523}
{0 CHEMBL386685,6 1,103 5.357}
{0 CHEMBL387007,6 1,34 1,103 6.046}
{0 CHEMBL388340,6 1,25 1,30 1,77 1,103 6.143}
{0 CHEMBL389051,6 1,30 1,68 1,71 1,103 7.143}
{0 CHEMBL400304,6 1,103 4.409}
{0 CHEMBL400364,6 1,25 1,30 1,77 1,103 4.617}
{0 CHEMBL400485,6 1,25 1,30 1,74 1,77 1,103 4.617}
{0 CHEMBL401073,6 1,103 4.854}
{0 CHEMBL401074,6 1,103 4.585}
{0 CHEMBL411871,6 1,103 5.854}
{0 CHEMBL417222,6 1,68 1,71 1,81 1,103 7.602}
{0 CHEMBL418894,6 1,81 1,103 4.521}
{0 CHEMBL422395,6 1,30 1,68 1,71 1,103 7.333}
{0 CHEMBL423282,6 1,52 1,81 1,103 6.658}
{0 CHEMBL423859,6 1,30 1,68 1,103 4.854}
{0 CHEMBL425692,6 1,29 1,39 1,87 1,103 8.824}
{0 CHEMBL429308,6 1,74 1,103 4.569}
{0 CHEMBL430872,6 1,25 1,30 1,78 1,103 4}
{0 CHEMBL434980,6 1,72 1,100 1,103 5.745}
{0 CHEMBL439973,6 1,30 1,88 1,94 1,103 5.699}
{0 CHEMBL440496,6 1,74 1,81 1,103 4.726}
{0 CHEMBL446714,6 1,74 1,103 4.509}
{0 CHEMBL449543,6 1,74 1,90 1,103 5}
{0 CHEMBL458184,59 1,74 1,102 1,103 6.699}
{0 CHEMBL465890,30 1,74 1,102 1,103 5.523}
{0 CHEMBL465891,30 1,74 1,102 1,103 4.155}
{0 CHEMBL476744,1 1,2 1,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 4.921}
{0 CHEMBL476745,1 1,2 1,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 4.959}
{0 CHEMBL476945,3 1,4 1,5 1,6 1,30 1,87 1,103 4.921}
{0 CHEMBL477150,3 1,4 1,5 1,6 1,30 1,87 1,103 5.62}
{0 CHEMBL477151,3 1,4 1,5 1,6 1,30 1,74 1,87 1,103 5.638}
{0 CHEMBL477566,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 5.638}
{0 CHEMBL477789,1 1,2 1,3 1,4 1,5 1,6 1,30 1,87 1,103 4.62}
{0 CHEMBL477790,1 1,2 1,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 4.886}
{0 CHEMBL478191,3 1,4 1,5 1,6 1,30 1,74 1,87 1,103 5.658}
{0 CHEMBL478192,3 1,4 1,5 1,6 1,30 1,87 1,103 4.886}
{0 CHEMBL478213,1 1,2 1,3 1,4 1,5 1,6 1,30 1,87 1,103 4.921}
{0 CHEMBL478403,3 1,4 1,5 1,6 1,30 1,87 1,103 5.569}
{0 CHEMBL478404,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 5.602}
{0 CHEMBL492836,6 1,90 1,103 5.921}
{0 CHEMBL492837,6 1,25 1,30 1,62 1,77 1,103 4.638}
{0 CHEMBL492838,6 1,74 1,90 1,103 5.638}
{0 CHEMBL492839,6 1,90 1,103 4.638}
{0 CHEMBL494067,6 1,90 1,103 4.538}
{0 CHEMBL495124,6 1,90 1,103 5.62}
{0 CHEMBL495125,6 1,90 1,103 5.959}
{0 CHEMBL510652,6 1,27 1,59 1,102 1,103 5.523}
{0 CHEMBL514219,1 1,2 1,3 1,4 1,5 1,6 1,30 1,74 1,87 1,103 4.658}
{0 CHEMBL515312,1 1,2 1,3 1,4 1,5 1,6 1,30 1,87 1,103 4.921}
{0 CHEMBL516128,3 1,4 1,5 1,6 1,30 1,62 1,87 1,103 5.638}
{0 CHEMBL516891,1 1,2 1,3 1,4 1,5 1,6 1,30 1,87 1,103 4.854}
{0 CHEMBL517182,6 1,59 1,62 1,102 1,103 6}
{0 CHEMBL522363,6 1,90 1,103 7.398}
{0 CHEMBL522517,6 1,74 1,90 1,103 5.284}
{0 CHEMBL538143,6 1,74 1,90 1,103 5.538}
{0 CHEMBL550296,6 1,90 1,103 5.854}
{0 CHEMBL550769,6 1,90 1,103 4.553}
{0 CHEMBL550842,6 1,90 1,103 5.699}
{0 CHEMBL551049,6 1,90 1,103 7.745}
{0 CHEMBL551768,6 1,74 1,90 1,103 5.699}
{0 CHEMBL551985,6 1,74 1,90 1,103 5.638}
{0 CHEMBL556091,6 1,74 1,90 1,103 5.638}
{0 CHEMBL55884,6 1,103 5.222}
{0 CHEMBL560912,6 1,90 1,103 5.921}
{0 CHEMBL563212,6 1,62 1,90 1,103 5.745}
{0 CHEMBL564004,6 1,62 1,90 1,103 4.638}
{0 CHEMBL564277,6 1,74 1,90 1,103 5.602}
{0 CHEMBL564937,6 1,90 1,103 5.77}
{0 CHEMBL565179,6 1,74 1,90 1,103 5.658}
{0 CHEMBL56523,6 1,103 6.222}
{0 CHEMBL56662,6 1,7 1,22 1,30 1,35 1,71 1,103 6.854}
{0 CHEMBL56992,6 1,7 1,22 1,29 1,39 1,71 1,103 4.42}
{0 CHEMBL57002,6 1,7 1,22 1,39 1,103 4.678}
{0 CHEMBL57310,6 1,30 1,54 1,103 4.538}
{0 CHEMBL57333,6 1,68 1,71 1,81 1,103 5.398}
{0 CHEMBL603336,6 1,14 1,89 1,98 1,102 1,103 4.523}
{0 CHEMBL603555,6 1,14 1,89 1,98 1,102 1,103 6.602}
{0 CHEMBL60639,6 1,18 1,25 1,30 1,103 4}
{0 CHEMBL61708,6 1,30 1,39 1,88 1,103 5.921}
{0 CHEMBL67116,6 1,34 1,103 6.222}
{0 CHEMBL72132,6 1,74 1,81 1,103 4.529}
{0 CHEMBL72371,6 1,30 1,62 1,103 5.796}
{0 CHEMBL72496,6 1,74 1,81 1,103 4.704}
{0 CHEMBL72991,6 1,30 1,62 1,103 5.921}
{0 CHEMBL73018,6 1,30 1,103 4.499}
{0 CHEMBL73200,30 1,103 6.222}
{0 CHEMBL73228,30 1,103 5.291}
{0 CHEMBL73229,6 1,11 1,28 1,30 1,103 4.886}
{0 CHEMBL73314,6 1,24 1,38 1,39 1,74 1,80 1,103 6.201}
{0 CHEMBL73440,30 1,74 1,103 6.194}
{0 CHEMBL73487,6 1,30 1,74 1,103 5.444}
{0 CHEMBL73527,6 1,30 1,103 6}
{0 CHEMBL73591,6 1,30 1,103 5.538}
{0 CHEMBL73594,30 1,103 5.268}
{0 CHEMBL73601,6 1,30 1,103 4.742}
{0 CHEMBL73713,30 1,103 4.409}
{0 CHEMBL74216,6 1,28 1,30 1,68 1,103 5.301}
{0 CHEMBL74253,6 1,74 1,81 1,103 5.061}
{0 CHEMBL74440,30 1,74 1,103 5.62}
{0 CHEMBL74702,6 1,30 1,103 4.011}
{0 CHEMBL74773,6 1,30 1,103 5.155}
{0 CHEMBL74847,6 1,30 1,74 1,103 5.301}
{0 CHEMBL75044,30 1,103 5.553}
{0 CHEMBL75213,6 1,30 1,68 1,103 5.959}
{0 CHEMBL75376,30 1,103 4.327}
{0 CHEMBL75388,6 1,30 1,103 4.051}
{0 CHEMBL75473,6 1,30 1,103 4.772}
{0 CHEMBL75476,30 1,103 5.009}
{0 CHEMBL75501,6 1,11 1,30 1,103 4.58}
{0 CHEMBL75530,30 1,80 1,103 4.602}
{0 CHEMBL75556,6 1,30 1,62 1,103 5.222}
{0 CHEMBL75592,30 1,103 5.155}
{0 CHEMBL75731,6 1,30 1,74 1,103 4.004}
{0 CHEMBL76015,30 1,103 4.553}
{0 CHEMBL76071,6 1,30 1,103 4.305}
{0 CHEMBL76106,30 1,103 4.509}
{0 CHEMBL76322,6 1,30 1,74 1,103 5.796}
{0 CHEMBL76349,6 1,30 1,103 4.444}
{0 CHEMBL886,6 1,14 1,77 1,89 1,98 1,103 8}
{0 CHEMBL90795,6 1,28 1,39 1,71 1,103 5.726}
{0 CHEMBL9440,6 1,7 1,22 1,103 5.268}