"molecule_id","nCsp","nTB","pXC50"
{3 4.876}
{0 CHEMBL1163029,3 4}
{0 CHEMBL1163030,3 4}
{0 CHEMBL116569,1 1,2 1,3 4}
{0 CHEMBL116847,1 1,2 1,3 4}
{0 CHEMBL118009,1 1,2 1,3 4}
{0 CHEMBL1505471,3 4.452}
{0 CHEMBL164837,3 4.699}
{0 CHEMBL167448,3 4.903}
{0 CHEMBL1688557,3 5.452}
{0 CHEMBL1688558,3 5.81}
{0 CHEMBL1688559,3 5.315}
{0 CHEMBL1688560,3 5.515}
{0 CHEMBL1761333,3 5.824}
{0 CHEMBL1773155,3 5.092}
{0 CHEMBL1773156,3 5.06}
{0 CHEMBL1933864,3 6.481}
{0 CHEMBL1933865,1 1,2 1,3 5.072}
{0 CHEMBL1933866,1 1,2 1,3 4}
{0 CHEMBL1933867,1 1,2 1,3 4}
{0 CHEMBL1933868,1 1,2 1,3 4}
{0 CHEMBL1933869,1 1,2 1,3 4}
{0 CHEMBL1933870,1 1,2 1,3 4}
{0 CHEMBL1933871,1 1,2 1,3 4.229}
{0 CHEMBL1933872,1 1,2 1,3 4.027}
{0 CHEMBL1933873,1 1,2 1,3 4.066}
{0 CHEMBL1933874,1 1,2 1,3 4.137}
{0 CHEMBL1933875,1 1,2 1,3 4}
{0 CHEMBL1933876,1 1,2 1,3 4}
{0 CHEMBL1933877,1 1,2 1,3 4}
{0 CHEMBL1933878,1 1,2 1,3 4}
{0 CHEMBL1933879,1 1,2 1,3 4}
{0 CHEMBL1933880,1 1,2 1,3 4}
{0 CHEMBL1933881,1 1,2 1,3 4}
{0 CHEMBL1933882,1 1,2 1,3 4.585}
{0 CHEMBL1933883,1 1,2 1,3 4}
{0 CHEMBL1933884,1 1,2 1,3 4.229}
{0 CHEMBL1933885,1 1,2 1,3 4}
{0 CHEMBL1933886,1 1,2 1,3 4}
{0 CHEMBL1933887,1 1,2 1,3 4}
{0 CHEMBL1933888,1 1,2 1,3 4}
{0 CHEMBL1933889,1 1,2 1,3 4}
{0 CHEMBL1933890,1 1,2 1,3 4}
{0 CHEMBL2032247,3 4.504}
{0 CHEMBL2032248,3 6.009}
{0 CHEMBL2032249,3 6.194}
{0 CHEMBL2032250,3 6.161}
{0 CHEMBL2032251,3 4.873}
{0 CHEMBL2032252,3 5.91}
{0 CHEMBL2032253,3 5.023}
{0 CHEMBL2032254,3 6.26}
{0 CHEMBL2032255,3 4.491}
{0 CHEMBL2032256,3 4.604}
{0 CHEMBL2032257,3 4.217}
{0 CHEMBL2032258,3 4}
{0 CHEMBL2032259,3 4.418}
{0 CHEMBL2032260,3 4.447}
{0 CHEMBL2032261,3 4.48}
{0 CHEMBL2032262,3 4.812}
{0 CHEMBL2032263,3 4}
{0 CHEMBL2032264,3 4.165}
{0 CHEMBL2032265,3 4.37}
{0 CHEMBL2032266,3 5.947}
{0 CHEMBL2032267,3 4.456}
{0 CHEMBL2032268,3 4}
{0 CHEMBL2032269,3 6.638}
{0 CHEMBL2032270,3 4.564}
{0 CHEMBL2032271,3 4.452}
{0 CHEMBL2032381,3 6.252}
{0 CHEMBL2032382,3 6.125}
{0 CHEMBL2032383,3 6.18}
{0 CHEMBL2032384,3 5.096}
{0 CHEMBL2032385,3 4}
{0 CHEMBL2032386,3 5}
{0 CHEMBL2032387,3 6.215}
{0 CHEMBL2032388,3 5.554}
{0 CHEMBL2032389,3 5.917}
{0 CHEMBL2032390,3 4.135}
{0 CHEMBL2032391,3 4.91}
{0 CHEMBL2032392,3 4.672}
{0 CHEMBL2032393,3 5.879}
{0 CHEMBL2032394,3 4.604}
{0 CHEMBL2032395,3 4.652}
{0 CHEMBL2032396,3 5.936}
{0 CHEMBL2032397,3 4.179}
{0 CHEMBL2032398,3 5.04}
{0 CHEMBL2035503,3 5.674}
{0 CHEMBL2035504,3 5.07}
{0 CHEMBL2035505,3 6.243}
{0 CHEMBL2035506,3 6.046}
{0 CHEMBL2037287,3 4.963}
{0 CHEMBL2037288,3 6.055}
{0 CHEMBL2037386,3 6.52}
{0 CHEMBL2037387,3 6.272}
{0 CHEMBL2037388,3 6.051}
{0 CHEMBL2037389,3 6.243}
{0 CHEMBL2336708,3 5.469}
{0 CHEMBL2336709,3 6.213}
{0 CHEMBL2336710,3 6.523}
{0 CHEMBL2336711,3 6}
{0 CHEMBL2336712,3 6.602}
{0 CHEMBL2336713,3 6.744}
{0 CHEMBL2336714,3 7.546}
{0 CHEMBL2336715,3 7.484}
{0 CHEMBL2336716,3 6.301}
{0 CHEMBL2336717,3 6.398}
{0 CHEMBL2336718,3 6.699}
{0 CHEMBL2336719,3 6.796}
{0 CHEMBL2336720,3 6.119}
{0 CHEMBL2336721,3 6.169}
{0 CHEMBL2336722,3 4.638}
{0 CHEMBL2336723,3 5.244}
{0 CHEMBL2336724,3 4.62}
{0 CHEMBL2336725,3 5.509}
{0 CHEMBL2336726,3 5.854}
{0 CHEMBL2336727,3 5.854}
{0 CHEMBL237370,3 6.281}
{0 CHEMBL237776,3 6.097}
{0 CHEMBL259400,3 4.335}
{0 CHEMBL261424,3 4.903}
{0 CHEMBL261728,3 4.04}
{0 CHEMBL269277,3 4.772}
{0 CHEMBL289577,3 5.337}
{0 CHEMBL295602,3 4}
{0 CHEMBL29660,3 5.603}
{0 CHEMBL354449,3 4.367}
{0 CHEMBL405801,3 4.719}
{0 CHEMBL406178,3 5.119}
{0 CHEMBL42527,3 4.947}
{0 CHEMBL428647,3 5.284}
{0 CHEMBL431525,3 4}
{0 CHEMBL438558,3 4.266}
{0 CHEMBL442459,3 4.845}
{0 CHEMBL446050,3 4.77}
{0 CHEMBL449909,3 5.538}
{0 CHEMBL450398,3 5}
{0 CHEMBL452164,3 5.18}
{0 CHEMBL452427,3 4.87}
{0 CHEMBL454958,3 5.71}
{0 CHEMBL467809,3 4.723}
{0 CHEMBL468844,3 4.928}
{0 CHEMBL473374,3 4.839}
{0 CHEMBL483874,3 5.319}
{0 CHEMBL489617,3 5.143}
{0 CHEMBL489824,3 4.886}
{0 CHEMBL491051,3 5.252}
{0 CHEMBL491851,3 4.678}
{0 CHEMBL491852,3 4.128}
{0 CHEMBL491853,3 4.585}
{0 CHEMBL499291,3 5}
{0 CHEMBL500206,3 5.155}
{0 CHEMBL512475,3 4.495}
{0 CHEMBL513526,3 4.3}
{0 CHEMBL568750,3 6.222}
{0 CHEMBL568751,3 6.222}
{0 CHEMBL591192,3 6.06}
{0 CHEMBL592938,3 4.204}
{0 CHEMBL593815,3 4.387}
{0 CHEMBL597398,3 4}
{0 CHEMBL597587,1 1,2 1,3 4.602}
{0 CHEMBL597598,3 4.611}
{0 CHEMBL597599,3 4.47}
{0 CHEMBL597610,3 4.347}
{0 CHEMBL597791,3 5.48}
{0 CHEMBL597792,3 4.523}
{0 CHEMBL597802,1 1,2 1,3 4.523}
{0 CHEMBL598001,3 4.602}
{0 CHEMBL598002,3 4.443}
{0 CHEMBL598230,3 4.865}
{0 CHEMBL598231,1 2,2 2,3 4}
{0 CHEMBL598433,3 4}
{0 CHEMBL598621,1 2,2 2,3 4}
{0 CHEMBL598622,3 4.087}
{0 CHEMBL598634,3 4}
{0 CHEMBL599053,3 4}
{0 CHEMBL599255,3 5.737}
{0 CHEMBL599436,1 2,2 2,3 4}
{0 CHEMBL599856,1 1,2 1,3 4}
{0 CHEMBL603247,3 4}
{0 CHEMBL603251,3 4.081}
{0 CHEMBL603312,3 4}
{0 CHEMBL603464,3 4.268}
{0 CHEMBL604103,3 4}
{0 CHEMBL604498,3 5.137}
{0 CHEMBL605845,3 4}
{0 CHEMBL606405,3 4.252}