"molecule_id","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_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","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_1024b187","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_1024b199","FCFP4_1024b2","FCFP4_1024b20","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","FCFP4_1024b243","FCFP4_1024b244","FCFP4_1024b245","FCFP4_1024b246","FCFP4_1024b247","FCFP4_1024b248","FCFP4_1024b249","FCFP4_1024b25","FCFP4_1024b250","FCFP4_1024b251","FCFP4_1024b252","FCFP4_1024b253","FCFP4_1024b254","FCFP4_1024b255","FCFP4_1024b256","FCFP4_1024b257","FCFP4_1024b258","FCFP4_1024b259","FCFP4_1024b26","FCFP4_1024b260","FCFP4_1024b261","FCFP4_1024b262","FCFP4_1024b263","FCFP4_1024b264","FCFP4_1024b265","FCFP4_1024b266","FCFP4_1024b267","FCFP4_1024b268","FCFP4_1024b269","FCFP4_1024b27","FCFP4_1024b270","FCFP4_1024b271","FCFP4_1024b272","FCFP4_1024b273","FCFP4_1024b274","FCFP4_1024b275","FCFP4_1024b276","FCFP4_1024b277","FCFP4_1024b278","FCFP4_1024b279","FCFP4_1024b28","FCFP4_1024b280","FCFP4_1024b281","FCFP4_1024b282","FCFP4_1024b283","FCFP4_1024b284","FCFP4_1024b285","FCFP4_1024b286","FCFP4_1024b287","FCFP4_1024b288","FCFP4_1024b289","FCFP4_1024b29","FCFP4_1024b290","FCFP4_1024b291","FCFP4_1024b292","FCFP4_1024b293","FCFP4_1024b294","FCFP4_1024b295","FCFP4_1024b296","FCFP4_1024b297","FCFP4_1024b298","FCFP4_1024b299","FCFP4_1024b3","FCFP4_1024b30","FCFP4_1024b300","FCFP4_1024b301","FCFP4_1024b302","FCFP4_1024b303","FCFP4_1024b304","FCFP4_1024b305","FCFP4_1024b306","FCFP4_1024b307","FCFP4_1024b308","FCFP4_1024b309","FCFP4_1024b31","FCFP4_1024b310","FCFP4_1024b311","FCFP4_1024b312","FCFP4_1024b313","FCFP4_1024b314","FCFP4_1024b315","FCFP4_1024b316","FCFP4_1024b317","FCFP4_1024b318","FCFP4_1024b319","FCFP4_1024b32","FCFP4_1024b320","FCFP4_1024b321","FCFP4_1024b322","FCFP4_1024b323","FCFP4_1024b324","FCFP4_1024b325","FCFP4_1024b326","FCFP4_1024b327","FCFP4_1024b328","FCFP4_1024b329","FCFP4_1024b33","FCFP4_1024b330","FCFP4_1024b331","FCFP4_1024b332","FCFP4_1024b333","FCFP4_1024b334","FCFP4_1024b335","FCFP4_1024b336","FCFP4_1024b337","FCFP4_1024b338","FCFP4_1024b339","FCFP4_1024b34","FCFP4_1024b340","FCFP4_1024b341","FCFP4_1024b342","FCFP4_1024b343","FCFP4_1024b344","FCFP4_1024b345","FCFP4_1024b346","FCFP4_1024b347","FCFP4_1024b348","FCFP4_1024b349","FCFP4_1024b35","FCFP4_1024b350","FCFP4_1024b351","FCFP4_1024b352","FCFP4_1024b353","FCFP4_1024b354","FCFP4_1024b355","FCFP4_1024b356","FCFP4_1024b357","FCFP4_1024b358","FCFP4_1024b359","FCFP4_1024b36","FCFP4_1024b360","FCFP4_1024b361","FCFP4_1024b362","FCFP4_1024b363","FCFP4_1024b364","FCFP4_1024b365","FCFP4_1024b366","FCFP4_1024b367","FCFP4_1024b368","FCFP4_1024b369","FCFP4_1024b37","FCFP4_1024b370","FCFP4_1024b371","FCFP4_1024b372","FCFP4_1024b373","FCFP4_1024b374","FCFP4_1024b375","FCFP4_1024b376","FCFP4_1024b377","FCFP4_1024b378","FCFP4_1024b379","FCFP4_1024b38","FCFP4_1024b380","FCFP4_1024b381","FCFP4_1024b382","FCFP4_1024b383","FCFP4_1024b384","FCFP4_1024b385","FCFP4_1024b386","FCFP4_1024b387","FCFP4_1024b388","FCFP4_1024b389","FCFP4_1024b39","FCFP4_1024b390","FCFP4_1024b391","FCFP4_1024b392","FCFP4_1024b393","FCFP4_1024b394","FCFP4_1024b395","FCFP4_1024b396","FCFP4_1024b397","FCFP4_1024b398","FCFP4_1024b399","pXC50" {1 1,104 1,105 1,115 1,137 1,148 1,171 1,193 1,270 1,282 1,291 1,316 1,354 1,359 5} {0 CHEMBL116883,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,358 1,359 5.538} {0 CHEMBL116884,1 1,104 1,105 1,113 1,115 1,137 1,171 1,172 1,193 1,236 1,278 1,291 1,316 1,321 1,359 4.125} {0 CHEMBL118149,1 1,36 1,70 1,74 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 5.131} {0 CHEMBL118670,1 1,70 1,104 1,105 1,115 1,132 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 4.194} {0 CHEMBL118715,1 1,137 1,316 1,359 5.097} {0 CHEMBL118737,1 1,35 1,70 1,104 1,105 1,115 1,137 1,171 1,270 1,282 1,291 1,316 1,359 4.921} {0 CHEMBL118890,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,358 1,359 4.979} {0 CHEMBL118918,1 1,70 1,104 1,105 1,115 1,137 1,193 1,234 1,270 1,282 1,301 1,316 1,359 5.585} {0 CHEMBL118920,1 1,70 1,104 1,105 1,115 1,137 1,193 1,264 1,270 1,282 1,316 1,359 4.056} {0 CHEMBL118961,1 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,354 1,359 4.678} {0 CHEMBL119628,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 6.155} {0 CHEMBL119690,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,279 1,282 1,291 1,316 1,359 5.137} {0 CHEMBL119988,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,321 1,359 4.149} {0 CHEMBL120202,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 4.161} {0 CHEMBL120379,1 1,70 1,104 1,105 1,115 1,137 1,171 1,197 1,270 1,282 1,291 1,316 1,333 1,359 5} {0 CHEMBL120407,1 1,7 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,318 1,359 4.027} {0 CHEMBL120425,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,358 1,359 5.538} {0 CHEMBL120510,1 1,36 1,70 1,74 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 4.481} {0 CHEMBL120532,1 1,124 1,137 1,316 1,359 4.237} {0 CHEMBL120604,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,321 1,359 4.509} {0 CHEMBL120648,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 5.481} {0 CHEMBL120795,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 4.602} {0 CHEMBL120840,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 5.143} {0 CHEMBL120848,1 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,354 1,359 4.745} {0 CHEMBL121234,1 1,64 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,321 1,359 4.032} {0 CHEMBL1214277,1 1,17 1,104 1,105 1,115 1,123 1,137 1,153 1,193 1,251 1,309 1,321 1,359 5.155} {0 CHEMBL121948,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 5.921} {0 CHEMBL1261,1 1,137 1,316 1,359 3.959} {0 CHEMBL149910,1 1,137 1,154 1,316 1,359 4.745} {0 CHEMBL1627232,1 1,137 1,189 1,289 1,301 1,316 1,359 2.886} {0 CHEMBL2165252,1 1,137 1,154 1,316 1,359 4.745} {0 CHEMBL2165253,1 1,20 1,99 1,124 1,137 1,283 1,316 1,359 4.301} {0 CHEMBL2165254,1 1,7 1,24 1,104 1,105 1,137 1,193 1,265 1,270 1,282 1,297 1,306 1,318 1,359 6.548} {0 CHEMBL2165261,1 1,137 1,193 1,282 1,316 1,359 6.155} {0 CHEMBL2165262,1 1,137 1,193 1,282 1,316 1,359 4.824} {0 CHEMBL261986,1 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,359 4.201} {0 CHEMBL331542,1 1,70 1,104 1,105 1,115 1,137 1,171 1,197 1,270 1,282 1,291 1,316 1,333 1,359 4.174} {0 CHEMBL332398,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 4.119} {0 CHEMBL333104,1 1,104 1,105 1,115 1,137 1,171 1,193 1,291 1,316 1,321 1,359 4.42} {0 CHEMBL333756,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 5.538} {0 CHEMBL334095,1 1,137 1,316 1,359 4.959} {0 CHEMBL334109,1 1,70 1,104 1,105 1,115 1,137 1,171 1,193 1,270 1,282 1,291 1,316 1,359 5.167} {0 CHEMBL346376,1 1,46 1,137 1,282 1,316 1,347 1,359 4.538} {0 CHEMBL414883,1 1,88 1,104 1,105 1,137 1,163 1,172 1,193 1,202 1,208 1,254 1,270 1,282 1,317 1,359 4.886} {0 CHEMBL420700,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 5.921} {0 CHEMBL422789,1 1,70 1,104 1,105 1,115 1,137 1,193 1,270 1,282 1,316 1,359 4.602} {0 CHEMBL446428,1 1,124 1,134 1,137 1,283 1,316 1,359 4.469} {0 CHEMBL63829,1 1,115 1,137 1,179 1,316 1,359 4.796}