@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3130

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1077023,CHEMBL1078983,CHEMBL1081312,CHEMBL1082621,CHEMBL1083192,CHEMBL1083809,CHEMBL1083810,CHEMBL1084926,CHEMBL1085160,CHEMBL1085177,CHEMBL1085178,CHEMBL1086923,CHEMBL1086924,CHEMBL1091978,CHEMBL1173655,CHEMBL119385,CHEMBL1213082,CHEMBL1213083,CHEMBL1213084,CHEMBL1213085,CHEMBL1213116,CHEMBL1213117,CHEMBL1213118,CHEMBL1213119,CHEMBL1213120,CHEMBL1213168,CHEMBL1213169,CHEMBL1230020,CHEMBL1230790,CHEMBL1231371,CHEMBL1233881,CHEMBL1233882,CHEMBL1234815,CHEMBL1236107,CHEMBL1240544,CHEMBL1240545,CHEMBL1240553,CHEMBL1240554,CHEMBL1240565,CHEMBL1240566,CHEMBL1240567,CHEMBL1240594,CHEMBL1240703,CHEMBL1241104,CHEMBL1241142,CHEMBL1241143,CHEMBL1241144,CHEMBL1241145,CHEMBL1241240,CHEMBL1241241,CHEMBL1241242,CHEMBL1241269,CHEMBL1241270,CHEMBL1241271,CHEMBL1241299,CHEMBL1241300,CHEMBL1241301,CHEMBL1241355,CHEMBL1241356,CHEMBL1241357,CHEMBL1241358,CHEMBL1241389,CHEMBL1241390,CHEMBL1241391,CHEMBL1241439,CHEMBL1241440,CHEMBL1241441,CHEMBL1241481,CHEMBL1241482,CHEMBL1241483,CHEMBL1241484,CHEMBL1241485,CHEMBL1241486,CHEMBL1241487,CHEMBL1241488,CHEMBL1241489,CHEMBL1241490,CHEMBL1241491,CHEMBL1241492,CHEMBL1241578,CHEMBL1241579,CHEMBL1241580,CHEMBL1241581,CHEMBL1241582,CHEMBL1241583,CHEMBL1241584,CHEMBL1241585,CHEMBL1241586,CHEMBL1241587,CHEMBL1241588,CHEMBL1241674,CHEMBL1241675,CHEMBL1241676,CHEMBL1241677,CHEMBL1241678,CHEMBL1241679,CHEMBL1241680,CHEMBL1241681,CHEMBL1241682,CHEMBL1241683,CHEMBL1241684,CHEMBL1241767,CHEMBL1241768,CHEMBL1241769,CHEMBL1241770,CHEMBL1241771,CHEMBL1241772,CHEMBL1241773,CHEMBL1241774,CHEMBL1241775,CHEMBL1241776,CHEMBL1241857,CHEMBL1241858,CHEMBL1241859,CHEMBL1241860,CHEMBL1241861,CHEMBL1241862,CHEMBL1241863,CHEMBL1241864,CHEMBL1241942,CHEMBL1241943,CHEMBL1241944,CHEMBL1241945,CHEMBL1241946,CHEMBL1241947,CHEMBL1241948,CHEMBL1241949,CHEMBL1241950,CHEMBL1242024,CHEMBL1242025,CHEMBL1242026,CHEMBL1242028,CHEMBL1242029,CHEMBL1242030,CHEMBL1242031,CHEMBL1242032,CHEMBL1242033,CHEMBL1242034,CHEMBL1242109,CHEMBL1242110,CHEMBL1242111,CHEMBL1242112,CHEMBL1242113,CHEMBL1242114,CHEMBL1242115,CHEMBL1242116,CHEMBL1242117,CHEMBL1242118,CHEMBL1242119,CHEMBL1242198,CHEMBL1242199,CHEMBL1242200,CHEMBL1242201,CHEMBL1242202,CHEMBL1242203,CHEMBL1242204,CHEMBL1242205,CHEMBL1242206,CHEMBL1242207,CHEMBL1242208,CHEMBL1242209,CHEMBL1242285,CHEMBL1242286,CHEMBL1242287,CHEMBL1242288,CHEMBL1242289,CHEMBL1242290,CHEMBL1242291,CHEMBL1242292,CHEMBL1242293,CHEMBL1242294,CHEMBL1242295,CHEMBL1242376,CHEMBL1242377,CHEMBL1242378,CHEMBL1242379,CHEMBL1242380,CHEMBL1242381,CHEMBL1242382,CHEMBL1242383,CHEMBL1242384,CHEMBL1242385,CHEMBL1242386,CHEMBL1242468,CHEMBL1242469,CHEMBL1242470,CHEMBL1242471,CHEMBL1242472,CHEMBL1242473,CHEMBL1242474,CHEMBL1242475,CHEMBL1242476,CHEMBL1242477,CHEMBL1242566,CHEMBL1242567,CHEMBL1242568,CHEMBL1242569,CHEMBL1242570,CHEMBL1242571,CHEMBL1242572,CHEMBL1242573,CHEMBL1242574,CHEMBL1242656,CHEMBL1242657,CHEMBL1242658,CHEMBL1242659,CHEMBL1242660,CHEMBL1242661,CHEMBL1242662,CHEMBL1242663,CHEMBL1242664,CHEMBL1242665,CHEMBL1242666,CHEMBL1242748,CHEMBL1242749,CHEMBL1242750,CHEMBL1242751,CHEMBL1242752,CHEMBL1242753,CHEMBL1242754,CHEMBL1242755,CHEMBL1242756,CHEMBL1242757,CHEMBL1242758,CHEMBL1242844,CHEMBL1242845,CHEMBL1242846,CHEMBL1242847,CHEMBL1242848,CHEMBL1242849,CHEMBL1242850,CHEMBL1242851,CHEMBL1242852,CHEMBL1242853,CHEMBL124660,CHEMBL1257653,CHEMBL1258517,CHEMBL1276684,CHEMBL1287853,CHEMBL1289926,CHEMBL1289975,CHEMBL1290744,CHEMBL1336,CHEMBL1421,CHEMBL1614701,CHEMBL1615182,CHEMBL1615183,CHEMBL1615189,CHEMBL1615278,CHEMBL162,CHEMBL1631888,CHEMBL1631892,CHEMBL1631895,CHEMBL1645094,CHEMBL1645095,CHEMBL1645096,CHEMBL1645098,CHEMBL1645099,CHEMBL1645100,CHEMBL1645101,CHEMBL1645102,CHEMBL1645103,CHEMBL1645106,CHEMBL1645107,CHEMBL1645108,CHEMBL1645110,CHEMBL1672328,CHEMBL1684984,CHEMBL1721885,CHEMBL1738719,CHEMBL1760153,CHEMBL1760154,CHEMBL1760155,CHEMBL1760156,CHEMBL1760157,CHEMBL1760158,CHEMBL1760159,CHEMBL1760160,CHEMBL1760161,CHEMBL1760162,CHEMBL1760163,CHEMBL1760164,CHEMBL1760165,CHEMBL1760167,CHEMBL1760168,CHEMBL1760169,CHEMBL1760170,CHEMBL1760171,CHEMBL1760172,CHEMBL1762782,CHEMBL1762788,CHEMBL1762789,CHEMBL1762790,CHEMBL1789941,CHEMBL1794070,CHEMBL1796761,CHEMBL180022,CHEMBL1822054,CHEMBL1834657,CHEMBL1879463,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL1910989,CHEMBL1910998,CHEMBL1911002,CHEMBL1911114,CHEMBL1911117,CHEMBL1914724,CHEMBL1914726,CHEMBL1914727,CHEMBL1914736,CHEMBL1914742,CHEMBL1914743,CHEMBL1921986,CHEMBL1922090,CHEMBL1922091,CHEMBL1922092,CHEMBL1922093,CHEMBL1922094,CHEMBL1922095,CHEMBL1926704,CHEMBL1928522,CHEMBL1928523,CHEMBL1928524,CHEMBL1928525,CHEMBL1928526,CHEMBL1928527,CHEMBL1928528,CHEMBL1928529,CHEMBL1928530,CHEMBL1928531,CHEMBL1928532,CHEMBL1928533,CHEMBL1928534,CHEMBL1928535,CHEMBL1928536,CHEMBL1928537,CHEMBL1928538,CHEMBL1928539,CHEMBL1928540,CHEMBL1928541,CHEMBL1928542,CHEMBL1928543,CHEMBL1928544,CHEMBL1928545,CHEMBL1928546,CHEMBL1928547,CHEMBL1928548,CHEMBL1928549,CHEMBL1928550,CHEMBL1928551,CHEMBL1928552,CHEMBL1928553,CHEMBL1928554,CHEMBL1928555,CHEMBL1928556,CHEMBL1928557,CHEMBL1928558,CHEMBL1928559,CHEMBL1928560,CHEMBL1928561,CHEMBL1928562,CHEMBL1928563,CHEMBL1928564,CHEMBL1928565,CHEMBL1928566,CHEMBL1928567,CHEMBL1928568,CHEMBL1928569,CHEMBL1928570,CHEMBL1928571,CHEMBL1928572,CHEMBL1928573,CHEMBL1928717,CHEMBL1928718,CHEMBL1928719,CHEMBL1928720,CHEMBL1928721,CHEMBL1928722,CHEMBL1928723,CHEMBL1928724,CHEMBL1928725,CHEMBL1928726,CHEMBL1928727,CHEMBL1928728,CHEMBL1928729,CHEMBL1928730,CHEMBL1945559,CHEMBL1955886,CHEMBL1957840,CHEMBL1957841,CHEMBL1957844,CHEMBL1957845,CHEMBL1957846,CHEMBL1957848,CHEMBL1957849,CHEMBL1957850,CHEMBL1957851,CHEMBL1957852,CHEMBL1957853,CHEMBL1957854,CHEMBL1957855,CHEMBL1957856,CHEMBL1957857,CHEMBL1957858,CHEMBL1957859,CHEMBL1957860,CHEMBL1957861,CHEMBL1957862,CHEMBL1957863,CHEMBL1957864,CHEMBL1957865,CHEMBL1957866,CHEMBL1957867,CHEMBL1957868,CHEMBL1957869,CHEMBL1957870,CHEMBL1957871,CHEMBL1957872,CHEMBL1957873,CHEMBL1957874,CHEMBL1972466,CHEMBL1986603,CHEMBL2017974,CHEMBL2018214,CHEMBL2018215,CHEMBL2018216,CHEMBL2018217,CHEMBL2018218,CHEMBL2018219,CHEMBL2018220,CHEMBL2018221,CHEMBL2018222,CHEMBL2018263,CHEMBL2018265,CHEMBL2018266,CHEMBL2018271,CHEMBL2018360,CHEMBL2018409,CHEMBL2018413,CHEMBL2057359,CHEMBL2057360,CHEMBL2057361,CHEMBL2057362,CHEMBL2057363,CHEMBL2057364,CHEMBL2057365,CHEMBL2057366,CHEMBL2057367,CHEMBL2057368,CHEMBL2057369,CHEMBL2057370,CHEMBL2057371,CHEMBL2057372,CHEMBL2057373,CHEMBL2058172,CHEMBL2059907,CHEMBL2059908,CHEMBL2059909,CHEMBL2059910,CHEMBL2059911,CHEMBL2059912,CHEMBL2059913,CHEMBL2062546,CHEMBL2064327,CHEMBL2064328,CHEMBL2064329,CHEMBL2064330,CHEMBL2064331,CHEMBL2064332,CHEMBL2064333,CHEMBL2064334,CHEMBL2064335,CHEMBL2064336,CHEMBL2064337,CHEMBL2064338,CHEMBL2064339,CHEMBL2064340,CHEMBL2064341,CHEMBL2064342,CHEMBL2064343,CHEMBL2064344,CHEMBL2064345,CHEMBL2064346,CHEMBL2064347,CHEMBL2064348,CHEMBL2064349,CHEMBL2064350,CHEMBL2064351,CHEMBL2064352,CHEMBL2064353,CHEMBL2064354,CHEMBL2064406,CHEMBL2064408,CHEMBL2064409,CHEMBL2064410,CHEMBL2064411,CHEMBL2064412,CHEMBL2064413,CHEMBL2064414,CHEMBL2064415,CHEMBL2064416,CHEMBL2064417,CHEMBL2064418,CHEMBL2064419,CHEMBL2064478,CHEMBL2064479,CHEMBL2064480,CHEMBL2064481,CHEMBL2064482,CHEMBL2064483,CHEMBL2064484,CHEMBL2064485,CHEMBL2064486,CHEMBL2064487,CHEMBL2064488,CHEMBL2064489,CHEMBL2064490,CHEMBL2064491,CHEMBL2064492,CHEMBL2064493,CHEMBL2064494,CHEMBL2064495,CHEMBL2064496,CHEMBL2064497,CHEMBL2064498,CHEMBL2064499,CHEMBL2064500,CHEMBL2064501,CHEMBL2064502,CHEMBL2064503,CHEMBL2064504,CHEMBL2064505,CHEMBL2064506,CHEMBL2064507,CHEMBL2064508,CHEMBL2064509,CHEMBL2064510,CHEMBL2064511,CHEMBL2064512,CHEMBL2064513,CHEMBL2064514,CHEMBL2064566,CHEMBL2064567,CHEMBL2064568,CHEMBL2064569,CHEMBL2064570,CHEMBL2064571,CHEMBL2064572,CHEMBL2069328,CHEMBL2071326,CHEMBL2071327,CHEMBL2071328,CHEMBL2071329,CHEMBL2071330,CHEMBL2071331,CHEMBL2071332,CHEMBL2071333,CHEMBL2071334,CHEMBL2071335,CHEMBL2071336,CHEMBL2071337,CHEMBL2071338,CHEMBL2071339,CHEMBL2071340,CHEMBL2071341,CHEMBL2071342,CHEMBL208652,CHEMBL2089096,CHEMBL2089097,CHEMBL2089098,CHEMBL2089099,CHEMBL2089100,CHEMBL2089101,CHEMBL2089102,CHEMBL2089103,CHEMBL2089104,CHEMBL2089105,CHEMBL2089106,CHEMBL2089107,CHEMBL2089108,CHEMBL2089109,CHEMBL2089110,CHEMBL2089111,CHEMBL2089112,CHEMBL2089113,CHEMBL2089114,CHEMBL2089115,CHEMBL2089116,CHEMBL2089117,CHEMBL2089118,CHEMBL2089119,CHEMBL2089120,CHEMBL2151048,CHEMBL2151050,CHEMBL215152,CHEMBL2151819,CHEMBL2151820,CHEMBL2151821,CHEMBL2151822,CHEMBL2151919,CHEMBL2151920,CHEMBL2151921,CHEMBL2151922,CHEMBL2151923,CHEMBL2151924,CHEMBL2151925,CHEMBL2151926,CHEMBL2151927,CHEMBL2151928,CHEMBL2151929,CHEMBL2151930,CHEMBL2151931,CHEMBL2151932,CHEMBL2151933,CHEMBL2151934,CHEMBL2151935,CHEMBL2152124,CHEMBL2152125,CHEMBL2152126,CHEMBL2152127,CHEMBL2152128,CHEMBL2152129,CHEMBL2152130,CHEMBL2152131,CHEMBL2152132,CHEMBL2152133,CHEMBL2152134,CHEMBL2152135,CHEMBL2152136,CHEMBL2152137,CHEMBL2152138,CHEMBL2152139,CHEMBL2152140,CHEMBL2152141,CHEMBL2152142,CHEMBL2152143,CHEMBL2152144,CHEMBL2152145,CHEMBL2152146,CHEMBL2152147,CHEMBL2152148,CHEMBL2152149,CHEMBL2152150,CHEMBL2152250,CHEMBL2152251,CHEMBL2152252,CHEMBL2152253,CHEMBL2152254,CHEMBL2152255,CHEMBL2152256,CHEMBL2152257,CHEMBL2152768,CHEMBL2152769,CHEMBL2152770,CHEMBL2152771,CHEMBL2152772,CHEMBL2152773,CHEMBL2152774,CHEMBL2152775,CHEMBL2152776,CHEMBL2158436,CHEMBL2165003,CHEMBL2165004,CHEMBL2165005,CHEMBL2165006,CHEMBL2165007,CHEMBL2165008,CHEMBL2165009,CHEMBL2165010,CHEMBL2165011,CHEMBL2165012,CHEMBL2165013,CHEMBL2165014,CHEMBL2165015,CHEMBL2165016,CHEMBL2165017,CHEMBL2165018,CHEMBL2165019,CHEMBL2165020,CHEMBL2165021,CHEMBL2165022,CHEMBL2165023,CHEMBL2165024,CHEMBL2165025,CHEMBL2165026,CHEMBL2165027,CHEMBL2165028,CHEMBL2165029,CHEMBL2165030,CHEMBL2165031,CHEMBL2165032,CHEMBL2165033,CHEMBL2165034,CHEMBL2165035,CHEMBL2165036,CHEMBL2165037,CHEMBL2165038,CHEMBL2165039,CHEMBL2165040,CHEMBL2165041,CHEMBL2165042,CHEMBL2165043,CHEMBL2165044,CHEMBL2165045,CHEMBL2165046,CHEMBL2165047,CHEMBL2165048,CHEMBL2165049,CHEMBL2165050,CHEMBL2165051,CHEMBL2165052,CHEMBL2165053,CHEMBL2165189,CHEMBL2165268,CHEMBL2165269,CHEMBL2165270,CHEMBL2165271,CHEMBL2165492,CHEMBL2165493,CHEMBL2165494,CHEMBL2165495,CHEMBL2165496,CHEMBL2165497,CHEMBL2165498,CHEMBL2165499,CHEMBL2165500,CHEMBL2165501,CHEMBL2165502,CHEMBL2165503,CHEMBL2165504,CHEMBL2165505,CHEMBL2165506,CHEMBL2165507,CHEMBL2165508,CHEMBL2165509,CHEMBL2165510,CHEMBL2165511,CHEMBL2165512,CHEMBL2165513,CHEMBL2165666,CHEMBL2165667,CHEMBL2165668,CHEMBL2165669,CHEMBL2165670,CHEMBL2165671,CHEMBL2165672,CHEMBL2171918,CHEMBL2171919,CHEMBL2171920,CHEMBL2171921,CHEMBL2171922,CHEMBL2171923,CHEMBL2171924,CHEMBL2171925,CHEMBL2171926,CHEMBL2171927,CHEMBL2171928,CHEMBL2171929,CHEMBL2171930,CHEMBL2171931,CHEMBL2171932,CHEMBL2171933,CHEMBL2171934,CHEMBL2171935,CHEMBL2171936,CHEMBL2171937,CHEMBL2171938,CHEMBL2171939,CHEMBL2171940,CHEMBL2171941,CHEMBL2171942,CHEMBL2171943,CHEMBL2171944,CHEMBL2171945,CHEMBL2171946,CHEMBL2171947,CHEMBL2171948,CHEMBL2171949,CHEMBL2171950,CHEMBL2171951,CHEMBL2171952,CHEMBL2205766,CHEMBL2206904,CHEMBL2206906,CHEMBL2206913,CHEMBL2206921,CHEMBL2216756,CHEMBL2216832,CHEMBL2216833,CHEMBL2216834,CHEMBL2216835,CHEMBL2216836,CHEMBL2216837,CHEMBL2216838,CHEMBL2216839,CHEMBL2216840,CHEMBL2216841,CHEMBL2216842,CHEMBL2216843,CHEMBL2216844,CHEMBL2216845,CHEMBL2216846,CHEMBL2216847,CHEMBL2216848,CHEMBL2216849,CHEMBL2216850,CHEMBL2216851,CHEMBL2216852,CHEMBL2216853,CHEMBL2216854,CHEMBL2216855,CHEMBL2216856,CHEMBL2216857,CHEMBL2216858,CHEMBL2216859,CHEMBL2216860,CHEMBL2216861,CHEMBL2216862,CHEMBL2216863,CHEMBL2216864,CHEMBL2216865,CHEMBL2216866,CHEMBL2216867,CHEMBL2216868,CHEMBL2216869,CHEMBL2216870,CHEMBL2216871,CHEMBL2216872,CHEMBL2216873,CHEMBL2216874,CHEMBL2216875,CHEMBL2216876,CHEMBL2216877,CHEMBL2216878,CHEMBL2216879,CHEMBL2216880,CHEMBL2216881,CHEMBL2216882,CHEMBL2216883,CHEMBL2216884,CHEMBL2216885,CHEMBL2216886,CHEMBL2216887,CHEMBL2216888,CHEMBL2216889,CHEMBL2216890,CHEMBL2216891,CHEMBL2216892,CHEMBL2216893,CHEMBL2216894,CHEMBL2216895,CHEMBL2216896,CHEMBL2216897,CHEMBL2216898,CHEMBL2216899,CHEMBL2216900,CHEMBL2216901,CHEMBL2216902,CHEMBL2216903,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2316958,CHEMBL2321882,CHEMBL2322225,CHEMBL2322226,CHEMBL2322227,CHEMBL2322228,CHEMBL2322229,CHEMBL2322230,CHEMBL2322231,CHEMBL2322232,CHEMBL2322233,CHEMBL2322234,CHEMBL2322235,CHEMBL2322236,CHEMBL2322239,CHEMBL2322240,CHEMBL2322241,CHEMBL2322242,CHEMBL2322243,CHEMBL2322244,CHEMBL2322245,CHEMBL2322246,CHEMBL2322247,CHEMBL2322331,CHEMBL2322332,CHEMBL2322333,CHEMBL2322334,CHEMBL2322335,CHEMBL2322336,CHEMBL2322337,CHEMBL2322338,CHEMBL2322339,CHEMBL2322340,CHEMBL2322341,CHEMBL2322342,CHEMBL2322343,CHEMBL2322344,CHEMBL2322345,CHEMBL2322346,CHEMBL2322347,CHEMBL2322348,CHEMBL2322349,CHEMBL2322350,CHEMBL2322351,CHEMBL2322352,CHEMBL2322353,CHEMBL2322354,CHEMBL2322355,CHEMBL2322356,CHEMBL2322660,CHEMBL2322661,CHEMBL2322662,CHEMBL2322663,CHEMBL2322664,CHEMBL2322665,CHEMBL2322666,CHEMBL2322667,CHEMBL2322668,CHEMBL2322669,CHEMBL2322670,CHEMBL2322671,CHEMBL2322672,CHEMBL2323113,CHEMBL2323114,CHEMBL2323115,CHEMBL2323116,CHEMBL2323117,CHEMBL2323118,CHEMBL2323119,CHEMBL2326951,CHEMBL2326952,CHEMBL2326953,CHEMBL2326954,CHEMBL2326955,CHEMBL2326965,CHEMBL2326967,CHEMBL2326968,CHEMBL2326969,CHEMBL2326970,CHEMBL2326971,CHEMBL2331664,CHEMBL2333365,CHEMBL239050,CHEMBL239051,CHEMBL239052,CHEMBL239475,CHEMBL240118,CHEMBL240335,CHEMBL240336,CHEMBL243810,CHEMBL244672,CHEMBL24828,CHEMBL249697,CHEMBL255592,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL270638,CHEMBL272265,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379156,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL392070,CHEMBL392071,CHEMBL393525,CHEMBL393526,CHEMBL393747,CHEMBL397105,CHEMBL397780,CHEMBL397796,CHEMBL410643,CHEMBL413802,CHEMBL413803,CHEMBL428496,CHEMBL428690,CHEMBL437770,CHEMBL445813,CHEMBL449049,CHEMBL449786,CHEMBL450786,CHEMBL451883,CHEMBL453232,CHEMBL453240,CHEMBL463606,CHEMBL464552,CHEMBL466106,CHEMBL466956,CHEMBL466957,CHEMBL466962,CHEMBL467394,CHEMBL467395,CHEMBL467552,CHEMBL467553,CHEMBL467561,CHEMBL467966,CHEMBL468218,CHEMBL469029,CHEMBL469035,CHEMBL469052,CHEMBL469057,CHEMBL469058,CHEMBL469059,CHEMBL469099,CHEMBL469193,CHEMBL469194,CHEMBL469200,CHEMBL469201,CHEMBL469202,CHEMBL469208,CHEMBL469209,CHEMBL469248,CHEMBL469249,CHEMBL469270,CHEMBL469271,CHEMBL475251,CHEMBL476953,CHEMBL477772,CHEMBL477787,CHEMBL477999,CHEMBL478425,CHEMBL478633,CHEMBL489596,CHEMBL489602,CHEMBL490428,CHEMBL491440,CHEMBL491441,CHEMBL491473,CHEMBL491641,CHEMBL494089,CHEMBL496331,CHEMBL496332,CHEMBL496541,CHEMBL496542,CHEMBL496940,CHEMBL496941,CHEMBL498000,CHEMBL498001,CHEMBL498002,CHEMBL498184,CHEMBL498185,CHEMBL498379,CHEMBL498383,CHEMBL498392,CHEMBL498586,CHEMBL498587,CHEMBL504616,CHEMBL509032,CHEMBL511228,CHEMBL511605,CHEMBL512091,CHEMBL512092,CHEMBL512293,CHEMBL512440,CHEMBL512470,CHEMBL512624,CHEMBL512648,CHEMBL512650,CHEMBL512815,CHEMBL512834,CHEMBL513909,CHEMBL513924,CHEMBL514061,CHEMBL514869,CHEMBL521721,CHEMBL521851,CHEMBL522069,CHEMBL522892,CHEMBL522910,CHEMBL524466,CHEMBL525191,CHEMBL525352,CHEMBL526463,CHEMBL535,CHEMBL551440,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL565612,CHEMBL566046,CHEMBL568574,CHEMBL570833,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL577499,CHEMBL579219,CHEMBL583874,CHEMBL586702,CHEMBL58782,CHEMBL589258,CHEMBL592445,CHEMBL601719,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL98350}
@attribute ATS8e numeric
@attribute MWC10 numeric
@attribute ATS8s numeric
@attribute ATSC8p numeric
@attribute ATS7p numeric
@attribute GGI9 numeric
@attribute ATS7v numeric
@attribute ATSC8m numeric
@attribute Eig08_AEA.ed. numeric
@attribute ATS6v numeric
@attribute ATS5v numeric
@attribute ATS8p numeric
@attribute ATS5p numeric
@attribute Eig08_EA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute X5 numeric
@attribute ATS6p numeric
@attribute SpMax7_Bh.e. numeric
@attribute ATS6e numeric
@attribute Eig06_AEA.ed. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute ATS7m numeric
@attribute ATSC7i numeric
@attribute ATSC8i numeric
@attribute DLS_02 numeric
@attribute ATSC8s numeric
@attribute ATSC6i numeric
@attribute RDSQ numeric
@attribute ATS8v numeric
@attribute GGI6 numeric
@attribute SpMax7_Bh.v. numeric
@attribute Chi1_EA.ri. numeric
@attribute GGI7 numeric
@attribute Eig13_EA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute X4 numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute ATS7i numeric
@attribute GGI10 numeric
@attribute ATSC7s numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMin7_Bh.p. numeric
@attribute ATS8m numeric
@attribute CENT numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute X2sol numeric
@attribute ATS6i numeric
@attribute ATS4v numeric
@attribute Eig14_EA.bo. numeric
@attribute Chi1_EA.bo. numeric
@attribute Eig13_AEA.ed. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute X4sol numeric
@attribute SRW08 numeric
@attribute Eig12_EA numeric
@attribute SM06_AEA.dm. numeric
@attribute SpAD_AEA.ri. numeric
@attribute Eig12_EA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute BID numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute SNar numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eta_C numeric
@attribute ON0V numeric
@attribute Eig13_EA numeric
@attribute SM07_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Xt numeric
@attribute SpMax7_Bh.p. numeric
@attribute X1MulPer numeric
@attribute X1Kup numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig08_AEA.bo. numeric
@attribute SsssN numeric
@attribute ATS5i numeric
@attribute X5sol numeric
@attribute X3 numeric
@attribute SpMax6_Bh.i. numeric
@attribute ATSC2i numeric
@attribute Infective.80 numeric
@attribute ATS2i numeric
@attribute Pol numeric
@attribute X1Per numeric
@attribute X1Mad numeric
@attribute Psi_i_1 numeric
@attribute SpAD_EA.ed. numeric
@attribute ATS1s numeric
@attribute ATS7s numeric
@attribute MPC10 numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute ATSC1i numeric
@attribute MPC05 numeric
@attribute SpMin8_Bh.i. numeric
@attribute Eig06_EA.ed. numeric
@attribute SM15_AEA.dm. numeric
@attribute SpMax6_Bh.e. numeric
@attribute P_VSA_p_1 numeric
@attribute SRW10 numeric
@attribute Eig09_EA.ri. numeric
@attribute SRW06 numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SpMin8_Bh.e. numeric
@attribute ATSC7v numeric
@attribute SRW04 numeric
@attribute SpMin7_Bh.v. numeric
@attribute MPC01 numeric
@attribute MWC01 numeric
@attribute nBO numeric
@attribute SRW02 numeric
@attribute ATSC7p numeric
@attribute ATS1i numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig04_AEA.ri. numeric
@attribute MWC03 numeric
@attribute ZM2 numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute Sp numeric
@attribute ATS4p numeric
@attribute nBT numeric
@attribute X0v numeric
@attribute ATS1e numeric
@attribute Psi_e_0 numeric
@attribute pXC50 numeric

@data
{1 4.594,2 12.053,3 5.71,4 8.944,5 3.953,6 0.275,7 3.858,8 21.198,9 3.913,10 3.856,11 3.871,12 3.862,13 3.946,14 3.032,15 3.032,16 6.78,17 3.935,18 2.854,19 4.499,20 4.69,21 0.143,22 3.897,23 1.216,24 1.31,25 1,26 39.575,27 1.223,28 237.009,29 3.742,30 0.457,31 2.715,32 15.642,33 0.28,34 2.136,35 2.136,36 8.173,37 0.821,38 2.687,39 4.659,40 0.136,41 27.859,42 2.925,43 1.062,44 3.718,45 1123,46 15.561,47 18.876,48 14.814,49 14.814,50 14.814,51 14.814,52 14.814,53 12.132,54 4.692,55 3.886,56 -0.236,57 10.659,58 3.247,59 0.152,60 8.451,61 8.551,62 0.945,63 0.945,64 45.542,65 2.192,66 2.192,67 3.341,68 18.361,69 18.361,70 18.361,71 18.361,72 18.361,73 20.285,74 2.997,75 17.941,76 8.126,77 0.792,78 0.792,79 2.512,80 0.222,81 2.735,82 8.007,83 8.367,84 2.605,85 2.727,87 4.819,88 6.866,89 10.047,90 2.942,91 1.074,92 1,93 4.468,94 42,95 6.652,96 12.075,97 15.524,98 130.187,99 5.067,100 5.719,101 5.231,102 2.553,103 2.553,104 0.666,105 4.575,106 0.821,107 4.948,108 4.948,109 2.895,110 191.527,111 10.193,112 1,113 6.952,114 -0.422,115 -0.422,116 0.886,117 9.813,118 5.434,119 1.107,120 3.434,121 3.434,122 30,123 4.111,124 7.987,125 3.969,126 0.886,127 3.479,128 5.832,129 170,130 0.139,131 31.387,132 3.95,133 46,134 15.334,135 3.876,136 9.975,137 5}
{0 CHEMBL101253,1 4.285,2 11.846,3 5.255,4 6.477,5 3.781,6 0.117,7 3.675,8 16.149,9 3.598,10 3.734,11 3.723,12 3.609,13 3.782,14 2.852,15 2.852,16 6.731,17 3.806,18 2.854,19 4.382,20 4.658,21 0.162,22 3.668,23 0.952,24 0.837,25 1,26 20.375,27 1.026,28 209.623,29 3.465,30 0.405,31 2.715,32 14.462,33 0.302,34 0.048,35 0.048,36 7.644,37 0.821,38 2.709,39 4.573,40 0.029,41 20.483,42 2.925,43 1.062,44 3.486,45 911,46 14.555,47 17.698,48 13.875,49 13.875,50 13.875,51 13.875,52 13.875,53 11.219,54 4.579,55 3.754,56 -0.435,57 9.836,58 2.764,59 0.164,60 7.811,61 8.455,62 0.449,63 0.449,64 41.449,65 1.119,66 1.119,67 3.267,68 17.361,69 17.361,70 17.361,71 17.361,72 17.361,73 19.474,74 2.887,75 15.877,76 7.243,77 0.02,78 0.02,79 2.304,80 0.227,81 2.735,82 7.714,83 7.92,84 2.445,85 2.777,87 4.676,88 6.967,89 9.126,90 2.946,91 0.892,92 1,93 4.398,94 38,95 6.399,96 11.714,97 14.353,98 114.607,99 4.975,100 5.403,101 4.934,102 2.251,103 2.251,104 0.569,105 4.489,106 0.803,107 4.855,108 4.855,109 2.89,110 164.795,111 10.108,112 1,113 6.851,114 -0.814,115 -0.814,116 0.845,117 8.757,118 5.342,119 1.107,120 3.367,121 3.367,122 28,123 4.043,124 6.574,125 3.913,126 0.42,127 3.188,128 5.733,129 154,130 0.148,131 29.449,132 3.84,133 43,134 14.111,135 3.803,136 9.15,137 5}
{0 CHEMBL103667,1 5.328,2 12.383,3 6.285,4 16.237,5 4.471,6 0.365,7 4.385,8 47.773,9 4.897,10 4.313,11 4.322,12 4.518,13 4.402,14 5.529,15 5.529,16 9.739,17 4.38,18 3.427,19 5.161,20 5.339,21 0.106,22 4.329,23 2.159,24 2.318,25 0.83,26 80.539,27 2.014,28 385.073,29 4.402,30 1.122,31 3.213,32 22.217,33 0.646,34 2.824,35 2.824,36 11.568,37 1.295,38 3.321,39 5.426,40 0.325,41 73.226,42 3.478,43 1.576,44 4.237,45 3163,46 23.423,47 26.724,48 21.281,49 21.281,50 21.281,51 21.281,52 21.281,53 17.699,54 5.377,55 4.385,56 1.461,57 17.125,58 3.647,59 0.107,60 11.568,61 8.929,62 1.289,63 1.289,64 64.61,65 2.868,66 2.868,67 3.693,68 26.126,69 26.126,70 26.126,71 26.126,72 26.126,73 28.72,74 3.493,75 39.35,76 14.767,77 1.173,78 1.173,79 3.414,80 0.187,81 3.194,82 12.824,83 13.293,84 3.596,85 3.333,86 2.346,87 5.537,88 9.739,89 13.957,90 3.546,91 1.786,93 5.161,94 61,95 10.687,96 18.05,97 23.074,98 187.972,99 5.446,100 6.285,101 5.366,102 2.54,103 2.54,104 1.114,105 4.89,106 1.154,107 6.89,108 6.89,109 3.5,110 411.989,111 10.581,112 1.783,113 7.323,114 2.727,115 2.727,116 1.222,117 21.166,118 5.802,119 1.584,120 3.784,121 3.784,122 43,123 4.466,124 14.686,125 4.543,126 1.251,127 3.496,128 6.188,129 243,130 0.101,131 49.574,132 4.494,133 80,134 23.16,135 4.416,136 14.458,137 5}
{0 CHEMBL105442,1 4.31,2 11.826,3 5.56,4 9.053,5 3.714,6 0.148,7 3.646,8 22.075,9 4.146,10 3.707,11 3.633,12 3.646,13 3.624,14 3.641,15 3.641,16 5.021,17 3.733,18 2.879,19 4.392,20 4.887,21 0.156,22 4.266,23 1.123,24 1.068,25 0.83,26 79.569,27 1.152,28 201.789,29 3.482,30 0.691,31 2.735,32 14.337,33 0.441,34 -0.481,35 -0.481,36 6.499,37 0.824,38 2.945,39 4.554,40 0.09,41 109.321,42 2.922,43 1.016,44 4.362,45 1031,46 14.722,47 17.054,48 13.256,49 13.256,50 13.256,51 13.256,52 13.256,53 11.547,54 4.524,55 3.678,56 -0.621,57 10.619,58 2.417,59 0.167,60 7.314,61 8.454,62 0.072,63 0.072,64 40.177,65 0.165,66 0.165,67 3.267,68 16.499,69 16.499,70 16.499,71 16.499,72 16.499,73 17.512,74 2.872,75 22.959,76 6.905,77 -0.199,78 -0.199,79 2.114,80 0.239,81 2.768,82 7.35,83 7.543,84 2.359,85 2.82,87 4.525,88 5.349,89 8.673,90 3.04,91 1.031,93 4.4,94 38,95 6.016,96 10.41,97 14.073,98 115.158,99 5.022,100 5.974,101 4.29,102 2.496,103 2.496,104 0.668,105 4.234,106 0.702,107 5.201,108 5.201,109 2.991,110 171.173,111 10.105,112 0.999,113 6.849,114 -1.242,115 -1.242,116 0.735,117 6.234,118 5.333,119 1.059,120 3.332,121 3.332,122 27,123 4.007,124 7.74,125 3.884,126 0.047,127 3.461,128 5.72,129 152,130 0.153,131 29.404,132 3.765,133 41,134 15.827,135 3.792,136 9.366,137 5}
{0 CHEMBL1077023,1 4.949,2 12.302,3 5.85,4 12.095,5 4.219,6 0.259,7 4.092,8 38.676,9 4.56,10 4.149,11 4.17,12 4.146,13 4.319,14 4.663,15 4.663,16 8.4,17 4.284,18 3.111,19 4.914,20 4.956,21 0.127,22 4.206,23 1.676,24 1.672,25 0.67,26 40.14,27 1.776,28 305.54,29 4.013,30 0.719,31 2.91,32 19.293,33 0.416,34 2.136,35 2.136,36 10.104,37 1.064,38 2.939,39 5.094,40 0.145,41 38.817,42 3.206,43 1.376,44 4.146,45 1692,46 19.523,47 22.508,48 17.854,49 17.854,50 17.854,51 17.854,52 17.854,53 16.802,54 5.111,55 4.188,56 1,57 14.505,58 3.36,59 0.132,60 11.558,61 8.797,62 1,63 1,64 54.848,65 2.275,66 2.275,67 3.503,68 21.643,69 21.643,70 21.643,71 21.643,72 21.643,73 24.444,74 3.141,75 30.958,76 10.7,77 1,78 1,79 3.247,80 0.202,81 2.941,82 10.252,83 10.714,84 3.247,85 3.006,86 6.138,87 5.298,88 9.661,89 11.887,90 3.34,91 1.583,93 4.969,94 51,95 8.355,96 13.511,97 19.768,98 161.706,99 5.163,100 5.865,101 5.642,102 2.661,103 2.661,104 0.965,105 4.796,106 1.064,107 5.745,108 5.745,109 3.283,110 306.049,111 10.462,112 1.361,113 7.177,114 2.136,115 2.136,116 1.153,117 14.847,118 5.638,119 1.429,120 3.611,121 3.611,122 36,123 4.29,124 12.182,125 4.291,126 0.983,127 3.582,128 6.033,129 208,130 0.118,131 39.307,132 4.319,133 62,134 19.608,135 4.185,136 12.032,137 6.509}
{0 CHEMBL1078983,1 5.147,2 12.377,3 6.019,4 13.204,5 4.307,6 0.362,7 4.239,8 39.098,9 4.618,10 4.265,11 4.305,12 4.346,13 4.391,14 4.911,15 4.911,16 9.422,17 4.339,18 3.24,19 5.23,20 5.284,21 0.119,22 4.23,23 1.87,24 1.912,25 0.67,26 47.437,27 2.074,28 338.753,29 4.249,30 0.792,31 3.013,32 20.02,33 0.743,34 2.136,35 2.136,36 11.308,37 1.118,38 3.07,39 5.279,40 0.256,41 45.72,42 3.303,43 1.501,44 4.153,45 2116,46 21.515,47 24.229,48 18.677,49 18.677,50 18.677,51 18.677,52 18.677,53 14.878,54 5.492,55 4.297,56 1,57 15.636,58 3.438,59 0.121,60 11.308,61 8.863,62 1.223,63 1.223,64 56.915,65 3.01,66 3.01,67 3.561,68 23.359,69 23.359,70 23.359,71 23.359,72 23.359,73 25.66,74 3.052,75 33.956,76 12.533,77 1,78 1,79 3.051,80 0.197,81 3.008,82 11.206,83 11.518,84 3.247,85 2.923,86 4.441,87 5.4,88 9.422,89 12.845,90 3.437,91 1.547,93 5.058,94 59,95 9.212,96 15.663,97 20.303,98 166.954,99 5.32,100 6.041,101 5.832,102 2.648,103 2.648,104 0.966,105 4.92,106 1.095,107 6.699,108 6.699,109 3.367,110 353.133,111 10.551,112 1.523,113 7.225,114 2.088,115 2.088,116 1.163,117 17.092,118 5.68,119 1.506,120 3.664,121 3.664,122 38,123 4.344,124 11.552,125 4.402,126 1.078,127 3.596,128 6.089,129 220,130 0.109,131 41.745,132 4.368,133 69,134 19.899,135 4.287,136 12.613,137 5.276}
{0 CHEMBL1081312,1 4.503,2 12.288,3 5.388,4 6.355,5 3.763,6 0.047,7 3.667,8 21.629,9 4.234,10 3.754,11 3.769,12 3.543,13 3.819,14 3.529,15 3.529,16 6.856,17 3.813,18 2.869,19 4.489,20 4.519,21 0.169,22 3.609,23 1.181,24 0.99,25 1,26 36.932,27 1.192,28 219.375,29 3.395,30 0.469,31 2.642,32 14.457,33 0.348,34 0.983,35 0.983,36 8.93,37 0.819,38 2.746,39 4.813,41 28.31,42 2.979,43 1.245,44 3.246,45 760,46 14.548,47 17.155,48 13.858,49 13.858,50 13.858,51 13.858,52 13.858,53 10.782,54 4.694,55 3.801,56 -0.364,57 10.422,58 3,59 0.17,60 8.93,61 8.592,62 0.618,63 0.618,64 43.217,65 1.372,66 1.372,67 3.231,68 16.792,69 16.792,70 16.792,71 16.792,72 16.792,73 19.592,74 3.033,75 18.11,76 7.333,77 0.395,78 0.395,79 2.461,80 0.226,81 2.671,82 8.011,83 8.12,84 2.652,85 2.654,87 4.713,88 6.856,89 9.878,90 3.082,91 1.171,92 1,93 4.584,94 39,95 6.597,96 11.361,97 15.011,98 129.925,99 4.96,100 5.529,101 5.384,102 2.38,103 2.38,104 0.723,105 4.682,106 0.695,107 4.384,108 4.384,109 2.976,110 164.795,111 10.289,112 1.08,113 6.948,114 -0.672,115 -0.672,116 0.769,117 9.852,118 5.398,119 1.237,120 3.367,121 3.367,122 28,123 4.043,124 6.635,125 4.003,126 0.618,127 3.342,128 5.832,129 170,130 0.154,131 27.847,132 3.839,133 45,134 13.106,135 3.866,136 8.85,137 6.824}
{0 CHEMBL1082621,1 5.448,2 12.867,3 6.751,4 18.18,5 4.692,6 0.593,7 4.654,8 50.913,9 5.396,10 4.661,11 4.63,12 4.647,13 4.67,14 6.642,15 6.642,16 12.873,17 4.712,18 3.477,19 5.474,20 5.626,21 0.084,22 4.747,23 2.94,24 2.856,25 0.5,26 165.409,27 2.921,28 555.139,29 4.61,30 1.778,31 3.274,32 28.027,33 1.261,34 5.099,35 5.099,36 15.909,37 1.428,38 3.393,39 5.699,40 0.389,41 148.191,42 3.543,43 1.702,44 4.669,45 6238,46 29.078,47 33.699,48 27.002,49 27.002,50 27.002,51 27.002,52 27.002,53 22.06,54 5.674,55 4.639,56 2.279,57 20.818,58 4.822,59 0.086,60 15.48,61 9.24,62 1.907,63 1.907,64 83.847,65 5.141,66 5.141,67 3.934,68 32.988,69 32.988,70 32.988,71 32.988,72 32.988,73 35.548,74 3.766,75 50.504,76 18.343,77 1.734,78 1.734,79 4.569,80 0.168,81 3.241,82 14.963,83 15.569,84 4.633,85 3.552,86 3.655,87 5.675,88 12.539,89 19.172,90 3.62,91 2.164,93 5.287,94 86,95 12.513,96 22.666,97 28.286,98 253.812,99 5.755,100 6.747,101 6.125,102 2.947,103 2.947,104 1.379,105 5.252,106 1.337,107 7.673,108 7.673,109 3.584,110 426.949,111 10.912,112 2.036,113 7.616,114 4.985,115 4.985,116 1.413,117 25.433,118 6.075,119 1.699,120 4.025,121 4.025,122 55,123 4.71,124 19.141,125 4.699,126 1.827,127 3.935,128 6.485,129 327,130 0.079,131 58.432,132 4.689,133 93,134 28.882,135 4.584,136 18.604,137 9.222}
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{0 CHEMBL1241269,1 4.17,2 11.976,3 5.052,4 5.292,5 3.43,7 3.271,8 16.971,9 3.508,10 3.518,11 3.632,12 2.99,13 3.722,14 2.515,15 2.515,16 5.35,17 3.603,18 2.874,19 4.384,20 4.35,21 0.215,22 3.101,23 0.888,24 0.569,25 1,26 37.808,27 0.969,28 159.323,29 2.755,30 0.478,31 2.598,32 11.35,33 0.227,34 -2,35 -2,36 6.511,37 0.801,38 2.627,39 4.699,41 57.472,42 2.971,43 1.139,44 2.396,45 456,46 11.393,47 13.577,48 10.85,49 10.85,50 10.85,51 10.85,52 10.85,53 8.989,54 4.598,55 3.707,56 -1.158,57 7.987,58 2,59 0.216,60 6.511,61 8.344,62 -0.633,63 -0.633,64 33.785,65 -1.809,66 -1.809,67 3.06,68 13.276,69 13.276,70 13.276,71 13.276,72 13.276,73 14.334,74 2.681,75 13.988,76 6.967,77 -0.875,78 -0.875,79 1.671,80 0.264,81 2.618,82 6.179,83 6.399,84 2,85 2.457,87 4.729,88 5.35,89 7.376,90 3.009,91 0.877,92 1,93 4.357,94 33,95 5.182,96 9.236,97 11.438,98 101.15,99 4.868,100 5.532,101 4.369,102 2.133,103 2.133,104 0.56,105 4.394,106 0.694,107 3.913,108 3.913,109 2.931,110 153.024,111 10.039,112 0.737,113 6.701,114 -2.441,115 -2.441,116 0.798,117 8.859,118 5.153,119 1.131,120 3.135,121 3.135,122 22,123 3.807,124 5.781,125 3.825,126 -0.603,127 3.088,128 5.565,129 130,130 0.196,131 24.046,132 3.786,133 38,134 11.408,135 3.696,136 7.339,137 5.538}
{0 CHEMBL1241270,1 3.479,2 11.766,3 4.536,4 2.154,5 2.777,6 0.016,7 2.714,8 7.886,9 3.314,10 2.962,11 3.175,12 2.425,13 3.245,14 1.807,15 1.807,16 4.599,17 2.974,18 2.544,19 3.811,20 4.039,21 0.231,22 2.787,23 0.431,24 0.311,25 1,26 22.161,27 0.528,28 135.691,29 2.297,30 0.384,31 2.294,32 10.248,33 0.234,34 -3.245,35 -3.245,36 5.787,37 0.666,38 2.337,39 3.911,41 31.532,42 2.621,43 1.009,44 2.154,45 336,46 10.101,47 12.324,48 9.833,49 9.833,50 9.833,51 9.833,52 9.833,53 8.015,54 4.026,55 3.387,56 -1.789,57 6.958,58 2,59 0.234,60 5.787,61 8.242,62 -0.875,63 -0.875,64 30.404,65 -2.318,66 -2.318,67 2.963,68 12.069,69 12.069,70 12.069,71 12.069,72 12.069,73 13.235,74 2.553,75 10.426,76 5.467,77 -1.215,78 -1.215,79 1.281,80 0.275,81 2.298,82 5.183,83 5.323,84 1.754,85 2.186,87 4.428,88 4.599,89 7.045,90 2.971,91 0.736,92 1,93 4.11,94 29,95 4.323,96 8.299,97 9.955,98 90.671,99 4.799,100 5.003,101 4.143,102 1.991,103 1.991,104 0.491,105 4.19,106 0.323,107 3.512,108 3.512,109 2.932,110 82.398,111 9.928,112 0.096,113 6.603,114 -3.385,115 -3.385,116 0.4,117 3.523,118 5.056,119 1.006,120 3.045,121 3.045,122 20,123 3.714,124 2.43,125 3.651,126 -0.84,127 2.917,128 5.468,129 118,130 0.21,131 19.767,132 3.426,133 31,134 9.676,135 3.524,136 6.572,137 6.18}
{0 CHEMBL1241271,1 3.712,2 11.908,3 4.782,4 2.766,5 3.064,6 0.016,7 2.952,8 9.919,9 3.63,10 3.204,11 3.358,12 2.664,13 3.428,14 2.49,15 2.49,16 5.125,17 3.262,18 2.865,19 4.096,20 4.327,21 0.225,22 2.952,23 0.574,24 0.384,25 1,26 29.085,27 0.708,28 148.002,29 2.531,30 0.445,31 2.568,32 10.775,33 0.293,34 -2.662,35 -2.662,36 6.132,37 0.664,38 2.611,39 4.323,41 40.615,42 2.963,43 1.085,44 2.331,45 394,46 10.556,47 12.839,48 10.317,49 10.317,50 10.317,51 10.317,52 10.317,53 8.554,54 4.322,55 3.519,56 -1.776,57 7.356,58 2.143,59 0.226,60 6.132,61 8.325,62 -0.628,63 -0.628,64 32.164,65 -1.605,66 -1.605,67 3.013,68 12.569,69 12.569,70 12.569,71 12.569,72 12.569,73 13.641,74 2.712,75 11.866,76 6.417,77 -0.946,78 -0.946,79 1.543,80 0.271,81 2.558,82 5.505,83 5.708,84 1.79,85 2.447,87 4.508,88 5.125,89 7.462,90 2.99,91 0.804,92 1,93 4.242,94 32,95 4.611,96 8.675,97 10.556,98 97.714,99 4.841,100 5.219,101 4.234,102 2.26,103 2.26,104 0.531,105 4.317,106 0.486,107 3.66,108 3.66,109 2.934,110 117.711,111 10.022,112 0.1,113 6.676,114 -3.402,115 -3.402,116 0.582,117 6.211,118 5.118,119 1.1,120 3.091,121 3.091,122 21,123 3.761,124 4.075,125 3.734,126 -0.574,127 3.193,128 5.533,129 126,130 0.203,131 21.529,132 3.566,133 34,134 10.623,135 3.606,136 6.953,137 6.678}
{0 CHEMBL1241299,1 3.49,2 11.908,3 4.721,4 3.012,5 3.067,6 0.016,7 2.921,8 12.589,9 3.63,10 3.193,11 3.318,12 2.599,13 3.37,14 2.49,15 2.49,16 5.125,17 3.264,18 2.69,19 4.054,20 4.327,21 0.225,22 3.597,23 0.511,24 0.276,25 1,26 33.939,27 0.683,28 148.002,29 2.427,30 0.445,31 2.519,32 11.08,33 0.293,34 -2.662,35 -2.662,36 6.132,37 0.559,38 2.684,39 4.209,41 39.005,42 2.746,43 0.877,44 3.553,45 394,46 10.556,47 12.976,48 10.317,49 10.317,50 10.317,51 10.317,52 10.317,53 9.296,54 4.274,55 3.464,56 -1.776,57 7.356,58 2.143,59 0.226,60 6.435,61 8.325,62 -0.628,63 -0.628,64 32.156,65 -1.605,66 -1.605,67 3.013,68 12.569,69 12.569,70 12.569,71 12.569,72 12.569,73 13.641,74 2.712,75 13.108,76 5.56,77 -0.946,78 -0.946,79 1.543,80 0.271,81 2.535,82 5.261,83 5.446,84 1.79,85 2.447,87 4.305,88 5.514,89 7.462,90 2.968,91 0.739,92 1,93 4.121,94 32,95 4.359,96 8.14,97 10.476,98 97.714,99 4.802,100 5.163,101 4.234,102 2.26,103 2.26,104 0.486,105 4.317,106 0.385,107 3.66,108 3.66,109 2.914,110 82.398,111 10.022,112 0.064,113 6.676,114 -3.402,115 -3.402,116 0.486,117 6.113,118 5.118,119 0.88,120 3.091,121 3.091,122 21,123 3.761,124 4.797,125 3.645,126 -0.573,127 3.193,128 5.533,129 126,130 0.203,131 21.12,132 3.517,133 31,134 11.587,135 3.531,136 6.94,137 7.638}
{0 CHEMBL1241300,1 3.472,2 11.806,3 4.732,4 1.859,5 2.731,6 0.026,7 2.734,8 7.088,9 3.317,10 3.018,11 3.272,12 2.461,13 3.334,14 1.827,15 1.827,16 4.699,17 3.044,18 2.697,19 4.005,20 4.146,21 0.22,22 2.954,23 0.4,24 0.299,25 1,26 25.195,27 0.565,28 145.221,29 2.427,30 0.384,31 2.523,32 10.869,33 0.234,34 -2.474,35 -2.474,36 6.305,37 0.678,38 2.545,39 3.882,40 0.012,41 33.627,42 2.761,43 1.039,44 2.546,45 391,46 11.023,47 13.367,48 10.271,49 10.271,50 10.271,51 10.271,52 10.271,53 8.206,54 4.257,55 3.443,56 -1.691,57 7.385,58 2,59 0.222,60 6.305,61 8.277,62 -0.611,63 -0.611,64 31.656,65 -1.635,66 -1.635,67 3.012,68 12.939,69 12.939,70 12.939,71 12.939,72 12.939,73 13.929,74 2.56,75 10.716,76 5.633,77 -0.938,78 -0.938,79 1.697,80 0.268,81 2.524,82 5.28,83 5.394,84 1.887,85 2.197,87 4.475,88 4.699,89 7.318,90 2.971,91 0.726,92 1,93 4.145,94 31,95 4.397,96 8.684,97 10.2,98 93.825,99 4.874,100 5.079,101 4.29,102 1.992,103 1.992,104 0.495,105 4.22,106 0.479,107 3.644,108 3.644,109 2.932,110 82.398,111 9.963,112 0.482,113 6.637,114 -3.306,115 -3.306,116 0.547,117 3.218,118 5.094,119 1.033,120 3.091,121 3.091,122 21,123 3.761,124 2.364,125 3.687,126 -0.578,127 2.917,128 5.509,129 123,130 0.2,131 20.222,132 3.449,133 32,134 10.084,135 3.571,136 6.927,137 6.703}
{0 CHEMBL1241301,1 3.755,2 11.943,3 4.984,4 2.602,5 3.039,6 0.026,7 2.971,8 10.273,9 3.633,10 3.249,11 3.44,12 2.658,13 3.502,14 2.508,15 2.508,16 5.225,17 3.315,18 2.9,19 4.245,20 4.327,21 0.214,22 3.094,23 0.543,24 0.366,25 1,26 39.592,27 0.743,28 157.769,29 2.61,30 0.445,31 2.603,32 11.395,33 0.293,34 -1.676,35 -1.676,36 6.65,37 0.701,38 2.678,39 4.301,40 0.012,41 39.388,42 2.967,43 1.12,44 2.688,45 458,46 11.478,47 13.881,48 10.755,49 10.755,50 10.755,51 10.755,52 10.755,53 8.745,54 4.499,55 3.568,56 -1.365,57 7.782,58 2.249,59 0.215,60 6.65,61 8.357,62 -0.611,63 -0.611,64 33.4,65 -1.505,66 -1.505,67 3.059,68 13.439,69 13.439,70 13.439,71 13.439,72 13.439,73 14.334,74 2.712,75 12.167,76 6.583,77 -0.629,78 -0.629,79 1.71,80 0.264,81 2.586,82 5.603,83 5.779,84 2,85 2.462,87 4.552,88 5.225,89 7.735,90 3.037,91 0.792,92 1,93 4.273,94 34,95 4.685,96 9.06,97 10.801,98 100.868,99 4.913,100 5.263,101 4.394,102 2.26,103 2.26,104 0.535,105 4.344,106 0.534,107 3.688,108 3.688,109 2.936,110 117.711,111 10.055,112 0.498,113 6.708,114 -2.915,115 -2.915,116 0.609,117 6.025,118 5.153,119 1.128,120 3.135,121 3.135,122 22,123 3.807,124 4.004,125 3.768,126 -0.572,127 3.194,128 5.572,129 131,130 0.194,131 21.983,132 3.586,133 35,134 11.031,135 3.65,136 7.308,137 7.119}
{0 CHEMBL1241355,1 3.006,2 11.723,3 3.761,4 1.681,5 2.533,7 2.429,8 5.851,9 3.302,10 2.861,11 3.098,12 1.904,13 3.115,14 1.758,15 1.758,16 4.433,17 2.889,18 2.378,19 3.77,20 3.756,21 0.244,22 2.294,23 0.355,24 0.167,25 1,26 15.243,27 0.495,28 125.971,29 1.646,30 0.123,31 2.018,32 9.78,33 0.104,34 -3.316,35 -3.316,36 5.739,37 0.494,38 2.166,39 3.828,41 26.051,42 2.482,43 0.853,44 1.116,45 285,46 9.678,47 11.876,48 9.366,49 9.366,50 9.366,51 9.366,52 9.366,53 7.412,54 3.986,55 3.272,56 -1.892,57 6.556,58 1.862,59 0.247,60 5.739,61 8.174,62 -1,63 -1,64 28.736,65 -2.596,66 -2.596,67 2.911,68 11.621,69 11.621,70 11.621,71 11.621,72 11.621,73 12.83,74 2.5,75 8.649,76 4.55,77 -1.293,78 -1.293,79 1.257,80 0.279,81 1.993,82 4.846,83 4.913,84 1.575,85 2.171,87 4.213,88 4.433,89 6.529,90 2.875,91 0.674,92 1,93 3.977,94 27,95 4.019,96 7.905,97 9.312,98 84.309,99 4.748,100 4.696,101 3.989,102 1.879,103 1.879,104 0.453,105 4.143,107 2.968,108 2.968,109 2.795,110 58.856,111 9.865,112 -0.152,113 6.532,114 -3.459,115 -3.459,117 2.817,118 4.99,119 0.862,120 2.996,121 2.996,122 19,123 3.664,124 2.129,125 3.558,126 -0.956,127 2.821,128 5.407,129 111,130 0.223,131 18.006,132 3.268,133 28,134 8.753,135 3.435,136 6.2,137 4}
{0 CHEMBL1241356,1 3.208,2 11.668,3 4.335,4 1.858,5 2.568,6 0.016,7 2.491,8 6.193,9 3.31,10 2.818,11 3.071,12 2.153,13 3.141,14 1.802,15 1.802,16 4.424,17 2.867,18 2.409,19 3.691,20 3.806,21 0.243,22 2.48,23 0.368,24 0.235,25 1,26 18.667,27 0.484,28 124.321,29 1.99,30 0.206,31 2.115,32 9.75,33 0.211,34 -3.118,35 -3.118,36 5.523,37 0.615,38 2.245,39 3.763,41 18.639,42 2.523,43 0.991,44 1.971,45 291,46 9.654,47 11.811,48 9.365,49 9.365,50 9.365,51 9.365,52 9.365,53 7.507,54 3.937,55 3.27,56 -1.79,57 6.572,58 1.862,59 0.246,60 5.523,61 8.151,62 -1,63 -1,64 28.72,65 -3,66 -3,67 2.91,68 11.569,69 11.569,70 11.569,71 11.569,72 11.569,73 12.83,74 2.5,75 8.651,76 4.683,77 -1.225,78 -1.225,79 1.257,80 0.279,81 2.093,82 4.895,83 4.977,84 1.583,85 2.185,87 4.272,88 4.424,89 6.467,90 2.925,91 0.718,92 1,93 4.029,94 26,95 4.075,96 7.918,97 9.379,98 83.908,99 4.736,100 4.638,101 3.97,102 1.989,103 1.989,104 0.487,105 4.127,106 0.125,107 2.679,108 2.679,109 2.854,110 58.856,111 9.827,112 -0.154,113 6.524,114 -3.328,115 -3.328,116 0.269,117 2.682,118 4.99,119 0.988,120 2.996,121 2.996,122 19,123 3.664,124 1.803,125 3.606,126 -1,127 2.915,128 5.398,129 110,130 0.221,131 18.557,132 3.314,133 29,134 8.883,135 3.459,136 6.18,137 4.959}
{0 CHEMBL1241357,1 3.154,2 11.68,3 4.169,4 1.183,5 2.626,7 2.515,8 5.831,9 3.305,10 2.885,11 3.111,12 2.045,13 3.171,14 1.755,15 1.755,16 4.399,17 2.928,18 2.383,19 3.795,20 3.8,21 0.244,22 2.517,23 0.391,24 0.214,25 1,26 18.722,27 0.53,28 124.964,29 1.879,30 0.279,31 2.067,32 9.765,33 0.099,34 -3.312,35 -3.312,36 5.679,37 0.539,38 2.211,39 3.878,41 24.028,42 2.521,43 0.854,44 1.546,45 288,46 9.654,47 11.811,48 9.382,49 9.382,50 9.382,51 9.382,52 9.382,53 7.519,54 4.051,55 3.283,56 -1.844,57 6.578,58 1.861,59 0.246,60 5.679,61 8.153,62 -1,63 -1,64 28.801,65 -2.675,66 -2.675,67 2.911,68 11.569,69 11.569,70 11.569,71 11.569,72 11.569,73 12.83,74 2.5,75 8.701,76 4.683,77 -1.276,78 -1.276,79 1.257,80 0.279,81 2.037,82 4.894,83 4.977,84 1.527,85 2.159,87 4.268,88 4.399,89 6.383,90 2.845,91 0.718,92 1,93 4.029,94 26,95 4.076,96 7.918,97 9.379,98 84.113,99 4.736,100 4.785,101 4.007,102 1.984,103 1.984,104 0.487,105 4.127,106 0.201,107 2.742,108 2.742,109 2.77,110 58.856,111 9.832,112 -0.281,113 6.524,114 -3.409,115 -3.409,116 0.362,117 3.577,118 4.99,119 0.883,120 2.996,121 2.996,122 19,123 3.664,124 2.38,125 3.606,126 -0.954,127 2.911,128 5.398,129 110,130 0.221,131 18.557,132 3.319,133 29,134 8.883,135 3.459,136 6.182,137 4.086}
{0 CHEMBL1241358,1 3.277,2 11.763,3 4.831,4 1.614,5 2.619,6 0.044,7 2.629,8 5.478,9 3.414,10 2.881,11 3.118,12 2.192,13 3.129,14 2.275,15 2.275,16 4.628,17 2.889,18 2.612,19 3.712,20 3.868,21 0.22,22 2.854,23 0.377,24 0.237,25 1,26 25.157,27 0.489,28 143.645,29 2.289,30 0.246,31 2.383,32 10.758,33 0.233,34 -2.433,35 -2.433,36 6.049,37 0.644,38 2.494,39 3.821,40 0.025,41 34.432,42 2.685,43 1.062,44 2.719,45 397,46 10.609,47 13.054,48 10.333,49 10.333,50 10.333,51 10.333,52 10.333,53 8.406,54 3.932,55 3.346,56 -1.712,57 7.142,58 2,59 0.222,60 6.049,61 8.256,62 -0.926,63 -0.926,64 32.031,65 -2,66 -2,67 3.011,68 12.776,69 12.776,70 12.776,71 12.776,72 12.776,73 13.929,74 2.528,75 9.366,76 4.883,77 -1,78 -1,79 1.737,80 0.268,81 2.333,82 5.188,83 5.243,84 1.88,85 2.5,87 4.234,88 4.628,89 7.166,90 2.925,91 0.719,92 1,93 4.029,94 30,95 4.298,96 8.617,97 10.074,98 94.014,99 4.872,100 4.986,101 4.29,102 1.995,103 1.995,104 0.488,105 4.19,106 0.283,107 2.95,108 2.95,109 2.854,110 58.856,111 9.93,112 0.683,113 6.629,114 -3,115 -3,116 0.343,117 2.741,118 5.094,119 1.058,120 3.091,121 3.091,122 21,123 3.761,124 2.05,125 3.606,126 -0.877,127 2.921,128 5.501,129 122,130 0.2,131 18.705,132 3.32,133 29,134 9.569,135 3.487,136 6.914,137 4}
{0 CHEMBL1241389,1 3.385,2 11.782,3 5.256,4 1.433,5 2.677,6 0.031,7 2.72,8 6.674,9 3.435,10 2.985,11 3.185,12 2.139,13 3.164,14 2.322,15 2.322,16 4.81,17 2.951,18 2.601,19 3.844,20 3.866,21 0.22,22 3.019,23 0.402,24 0.228,25 1,26 57.579,27 0.53,28 145.217,29 2.203,30 0.305,31 2.379,32 10.774,33 0.306,34 -2.133,35 -2.133,36 6.07,37 0.537,38 2.468,39 3.875,41 30.904,42 2.66,43 0.874,44 2.615,45 394,46 10.609,47 13.054,48 10.35,49 10.35,50 10.35,51 10.35,52 10.35,53 8.418,54 4.045,55 3.359,56 -1.731,57 7.148,58 2,59 0.222,60 6.07,61 8.258,62 -0.776,63 -0.776,64 32.07,65 -2,66 -2,67 3.012,68 12.776,69 12.776,70 12.776,71 12.776,72 12.776,73 13.929,74 2.596,75 9.443,76 4.883,77 -1,78 -1,79 1.554,80 0.268,81 2.325,82 5.188,83 5.243,84 1.861,85 2.5,87 4.23,88 4.81,89 7.105,90 2.879,91 0.719,92 1,93 4.029,94 30,95 4.299,96 8.617,97 10.074,98 94.129,99 4.872,100 5.137,101 4.29,102 1.994,103 1.994,104 0.488,105 4.22,106 0.42,107 2.995,108 2.995,109 2.798,110 58.856,111 9.936,112 0.673,113 6.629,114 -2.701,115 -2.701,116 0.485,117 2.761,118 5.094,119 0.89,120 3.091,121 3.091,122 21,123 3.761,124 2.237,125 3.606,126 -0.76,127 2.92,128 5.501,129 122,130 0.2,131 18.705,132 3.325,133 29,134 9.569,135 3.487,136 6.923,137 5.638}
{0 CHEMBL1241390,1 3.986,2 11.915,3 4.608,4 4.203,5 3.285,7 3.101,8 15.125,9 3.399,10 3.387,11 3.486,12 2.767,13 3.545,14 2.136,15 2.136,16 5.143,17 3.474,18 2.79,19 4.224,20 3.881,21 0.225,22 2.802,23 0.74,24 0.42,25 1,26 26.721,27 0.86,28 147.921,29 2.459,30 0.3,31 2.57,32 10.88,33 0.142,34 -2.346,35 -2.346,36 6.203,37 0.682,38 2.581,39 4.595,41 37.126,42 2.868,43 1.063,44 1.851,45 385,46 10.97,47 13.154,48 10.367,49 10.367,50 10.367,51 10.367,52 10.367,53 8.355,54 4.439,55 3.549,56 -1.5,57 7.577,58 1.936,59 0.227,60 6.203,61 8.279,62 -0.868,63 -0.868,64 32.095,65 -2,66 -2,67 3.013,68 12.828,69 12.828,70 12.828,71 12.828,72 12.828,73 13.929,74 2.5,75 12.653,76 6.583,77 -1,78 -1,79 1.555,80 0.268,81 2.618,82 5.78,83 5.977,84 1.67,85 2.454,87 4.496,88 5.143,89 7.049,90 3.009,91 0.851,92 1,93 4.305,94 31,95 4.858,96 8.782,97 10.65,98 94.79,99 4.797,100 5.244,101 4.19,102 1.788,103 1.788,104 0.565,105 4.344,106 0.624,107 3.005,108 3.005,109 2.874,110 141.253,111 9.973,112 0.738,113 6.637,114 -2.347,115 -2.347,116 0.723,117 7.668,118 5.094,119 1.058,120 3.091,121 3.091,122 21,123 3.761,124 4.794,125 3.765,126 -0.804,127 2.734,128 5.509,129 123,130 0.205,131 22.08,132 3.589,133 35,134 10.778,135 3.623,136 6.95,137 5.721}
{0 CHEMBL1241391,1 3.9,2 11.915,3 4.588,4 3.038,5 3.181,7 3.017,8 14.824,9 3.399,10 3.334,11 3.449,12 2.59,13 3.494,14 2.136,15 2.136,16 5.143,17 3.407,18 2.713,19 4.19,20 3.881,21 0.225,22 2.812,23 0.653,24 0.338,25 1,26 31.89,27 0.808,28 147.921,29 2.327,30 0.3,31 2.529,32 10.98,33 0.142,34 -2.346,35 -2.346,36 6.203,37 0.657,38 2.56,39 4.554,41 37.118,42 2.793,43 1.056,44 1.823,45 385,46 10.97,47 13.222,48 10.367,49 10.367,50 10.367,51 10.367,52 10.367,53 8.355,54 4.409,55 3.52,56 -1.5,57 7.577,58 1.936,59 0.227,60 6.203,61 8.279,62 -0.868,63 -0.868,64 32.072,65 -2,66 -2,67 3.013,68 12.828,69 12.828,70 12.828,71 12.828,72 12.828,73 13.929,74 2.5,75 12.406,76 6.45,77 -1,78 -1,79 1.555,80 0.268,81 2.522,82 5.624,83 5.809,84 1.67,85 2.454,87 4.459,88 5.143,89 7.049,90 3.009,91 0.831,92 1,93 4.291,94 31,95 4.728,96 8.712,97 10.467,98 94.79,99 4.813,100 5.231,101 4.19,102 1.788,103 1.788,104 0.563,105 4.344,106 0.524,107 3.005,108 3.005,109 2.874,110 129.482,111 9.973,112 0.735,113 6.637,114 -2.347,115 -2.347,116 0.618,117 6.867,118 5.094,119 1.047,120 3.091,121 3.091,122 21,123 3.761,124 4.081,125 3.751,126 -0.798,127 2.717,128 5.509,129 123,130 0.205,131 21.324,132 3.546,133 34,134 10.647,135 3.606,136 6.936,137 4}
{0 CHEMBL1241439,1 3.961,2 12.007,3 5.096,4 4.26,5 3.275,6 0.016,7 3.16,8 14.217,9 3.482,10 3.39,11 3.475,12 2.845,13 3.508,14 2.06,15 2.06,16 5.102,17 3.425,18 2.874,19 4.222,20 4.352,21 0.215,22 3,23 0.703,24 0.437,25 1,26 49.059,27 0.796,28 158.829,29 2.639,30 0.505,31 2.57,32 11.157,33 0.263,34 -2.14,35 -2.14,36 6.514,37 0.708,38 2.499,39 4.552,41 46.101,42 3.009,43 1.132,44 2.502,45 464,46 11.685,47 13.682,48 10.777,49 10.777,50 10.777,51 10.777,52 10.777,53 8.804,54 4.402,55 3.556,56 -1.225,57 7.971,58 2.247,59 0.216,60 6.514,61 8.327,62 -0.75,63 -0.75,64 33.779,65 -2,66 -2,67 3.06,68 13.439,69 13.439,70 13.439,71 13.439,72 13.439,73 14.334,74 2.547,75 13.725,76 6.633,77 -1,78 -1,79 1.67,80 0.264,81 2.618,82 5.838,83 6.018,84 1.919,85 2.246,87 4.448,88 5.102,89 7.558,90 3.024,91 0.818,92 1,93 4.301,94 32,95 4.885,96 9.081,97 10.989,98 101.5,99 4.887,100 5.376,101 4.317,102 2.153,103 2.153,104 0.539,105 4.369,106 0.657,107 3.838,108 3.838,109 2.964,110 129.482,111 10.014,112 0.63,113 6.693,114 -2.72,115 -2.72,116 0.71,117 6.585,118 5.153,119 1.097,120 3.135,121 3.135,122 22,123 3.807,124 4.67,125 3.762,126 -0.709,127 3.133,128 5.572,129 131,130 0.196,131 21.983,132 3.553,133 35,134 11.069,135 3.642,136 7.318,137 6.161}
{0 CHEMBL1241440,1 3.733,2 11.931,3 4.735,4 2.882,5 3.189,6 0.038,7 3.094,8 9.403,9 3.606,10 3.299,11 3.496,12 2.88,13 3.627,14 2.657,15 2.657,16 5.813,17 3.403,18 2.751,19 4.288,20 4.355,21 0.2,22 3.04,23 0.673,24 0.493,25 1,26 14.808,27 0.856,28 163.035,29 2.778,30 0.303,31 2.591,32 11.715,33 0.227,34 -1.597,35 -1.597,36 7.107,37 0.691,38 2.596,39 4.312,41 19.209,42 2.828,43 1.078,44 2.713,45 428,46 12.002,47 14.153,48 11.37,49 11.37,50 11.37,51 11.37,52 11.37,53 8.865,54 4.571,55 3.671,56 -1.191,57 8.506,58 2.199,59 0.202,60 7.107,61 8.388,62 -0.425,63 -0.425,64 35.054,65 -1.04,66 -1.04,67 3.06,68 13.93,69 13.93,70 13.93,71 13.93,72 13.93,73 16.008,74 2.796,75 14.292,76 6.183,77 -0.618,78 -0.618,79 2,80 0.25,81 2.601,82 6.645,83 6.767,84 2,85 2.486,87 4.794,88 5.813,89 7.987,90 3.084,91 0.941,92 1,93 4.385,94 33,95 5.472,96 9.528,97 12.413,98 103.295,99 4.791,100 5.001,101 4.804,102 1.993,103 1.993,104 0.585,105 4.419,106 0.647,107 4.05,108 4.05,109 2.982,110 141.253,111 10.084,112 0.745,113 6.739,114 -2.312,115 -2.312,116 0.737,117 5.967,118 5.187,119 1.092,120 3.178,121 3.178,122 23,123 3.85,124 3.916,125 3.826,126 -0.411,127 2.919,128 5.609,129 136,130 0.183,131 23.836,132 3.781,133 38,134 11.004,135 3.69,136 7.364,137 4}
{0 CHEMBL1241441,1 3.619,2 11.931,3 4.685,4 2.598,5 3.074,6 0.038,7 3.015,8 7.534,9 3.606,10 3.165,11 3.339,12 2.825,13 3.419,14 2.657,15 2.657,16 5.813,17 3.22,18 2.659,19 3.943,20 4.355,21 0.202,22 3.015,23 0.578,24 0.475,25 1,26 12.744,27 0.672,28 163.035,29 2.743,30 0.303,31 2.527,32 11.715,33 0.227,34 -1.597,35 -1.597,36 7.107,37 0.664,38 2.542,39 4.022,41 13.614,42 2.726,43 1.046,44 2.706,45 428,46 11.525,47 14.153,48 11.37,49 11.37,50 11.37,51 11.37,52 11.37,53 8.865,54 4.177,55 3.534,56 -1.274,57 7.812,58 2.199,59 0.203,60 7.107,61 8.388,62 -0.425,63 -0.425,64 35.054,65 -1.04,66 -1.04,67 3.06,68 13.93,69 13.93,70 13.93,71 13.93,72 13.93,73 16.008,74 2.862,75 10.812,76 5.6,77 -0.618,78 -0.618,79 2,80 0.25,81 2.532,82 6.079,83 6.192,84 2,85 2.555,87 4.425,88 5.813,89 7.987,90 3.064,91 0.801,92 1,93 4.174,94 33,95 5.039,96 9.528,97 11.687,98 103.295,99 4.81,100 4.864,101 4.804,102 1.993,103 1.993,104 0.519,105 4.419,106 0.537,107 4.05,108 4.05,109 2.975,110 94.169,111 10.084,112 0.745,113 6.739,114 -2.312,115 -2.312,116 0.611,117 4.05,118 5.187,119 1.052,120 3.178,121 3.178,122 23,123 3.85,124 3.097,125 3.714,126 -0.411,127 2.919,128 5.609,129 136,130 0.183,131 22.313,132 3.595,133 34,134 10.538,135 3.591,136 7.31,137 6.092}
{0 CHEMBL1241481,1 4.93,2 12.252,3 5.871,4 10.247,5 4.051,6 0.271,7 3.955,8 33.664,9 4.471,10 4.005,11 4.037,12 3.924,13 4.075,14 4.144,15 4.144,16 6.761,17 4.072,18 3.136,19 4.853,20 4.938,21 0.153,22 3.886,23 1.451,24 1.277,25 0.83,26 60.251,27 1.457,28 257.739,29 3.792,30 0.952,31 2.897,32 16.123,33 0.665,34 0.075,35 0.075,36 8.849,37 0.96,38 3,39 5.164,40 0.183,41 67.749,42 3.219,43 1.357,44 3.697,45 1313,46 16.624,47 19.223,48 15.237,49 15.237,50 15.237,51 15.237,52 15.237,53 13.564,54 5.062,55 4.074,56 -0.366,57 12.044,58 2.846,59 0.154,60 8.849,61 8.681,62 0.539,63 0.539,64 47.092,65 1.005,66 1.005,67 3.408,68 18.61,69 18.61,70 18.61,71 18.61,72 18.61,73 19.304,74 3.03,75 27.661,76 11.8,77 0.036,78 0.036,79 2.427,80 0.228,81 2.858,82 8.638,83 9.096,84 2.695,85 2.982,87 5.128,88 6.761,89 9.77,90 3.324,91 1.233,92 1,93 4.827,94 47,95 7.325,96 12.862,97 15.883,98 144.363,99 5.245,100 5.995,101 5.136,102 2.556,103 2.556,104 0.826,105 4.625,106 0.804,107 5.754,108 5.754,109 3.264,110 270.735,111 10.358,112 1.396,113 7.052,114 -0.685,115 -0.685,116 0.934,117 14.533,118 5.509,119 1.324,120 3.466,121 3.466,122 31,123 4.143,124 9.653,125 4.235,126 0.477,127 3.51,128 5.894,129 181,130 0.139,131 35.012,132 4.118,133 57,134 17.478,135 4.103,136 10.683,137 4.991}
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{0 CHEMBL162,1 5.314,2 13.381,3 6.201,4 17.849,5 4.709,6 0.147,7 4.58,8 47.876,9 5.654,10 4.761,11 4.794,12 4.389,13 4.847,14 7.069,15 7.069,16 14.487,17 4.848,18 3.27,19 5.585,20 6.05,21 0.126,22 4.425,23 2.864,24 2.232,25 0.67,26 74.079,27 3.117,28 446.328,29 4.21,30 2.086,31 3.067,32 21.485,33 0.973,34 2.917,35 2.917,36 15.835,37 1.223,38 3.134,39 5.767,40 0.025,41 84.94,42 3.347,43 1.55,44 3.935,45 1554,46 21.802,47 25.037,48 20.655,49 20.655,50 20.655,51 20.655,52 20.655,53 16.322,54 5.797,55 4.727,56 1.342,57 16.241,58 4.027,59 0.122,60 15.835,61 9.284,62 1.381,63 1.381,64 67.01,65 3.045,66 3.045,67 3.592,68 24.479,69 24.479,70 24.479,71 24.479,72 24.479,73 28.668,74 3.521,75 38.341,76 12.067,77 1.228,78 1.228,79 3.658,80 0.187,81 3.066,82 11.765,83 12.073,84 3.853,85 3.408,87 5.717,88 14.487,89 15.926,90 3.461,91 1.627,93 5.021,94 85,95 9.596,96 16.441,97 23.506,98 226.373,99 5.286,100 6.463,101 7.347,102 2.872,103 2.872,104 0.917,105 5.652,106 1.115,107 8.42,108 8.42,109 3.397,110 282.506,111 11.098,112 1.703,113 7.529,114 2.822,115 2.822,116 1.195,117 29.533,118 5.878,119 1.553,120 3.761,121 3.761,122 42,123 4.443,124 21.781,125 4.37,126 1.378,127 3.852,128 6.365,129 290,130 0.113,131 41.762,132 4.756,133 68,134 19.884,135 4.263,136 13.078,137 5}
{0 CHEMBL1631888,1 3.565,2 11.402,3 4.572,4 2.915,5 3.018,6 0.087,7 2.94,8 6.882,9 3.274,10 2.917,11 2.927,12 2.92,13 3.019,14 1.878,15 1.878,16 4.267,17 2.968,18 2.719,19 3.468,20 3.593,21 0.225,22 2.853,23 0.45,24 0.436,25 0.83,26 9.017,27 0.402,28 126.191,29 2.804,30 0.212,31 2.52,32 10.028,33 0.125,34 -2.833,35 -2.833,36 5.284,37 0.668,38 2.568,39 3.771,40 0.025,41 8.52,42 2.807,43 0.965,44 2.669,45 338,46 10.314,47 12.521,48 9.881,49 9.881,50 9.881,51 9.881,52 9.881,53 7.749,54 3.637,55 3.182,56 -1.561,57 6.756,58 2,59 0.228,60 5.284,61 8.062,62 -0.849,63 -0.849,64 29.606,65 -2.086,66 -2.086,67 2.96,68 12.43,69 12.43,70 12.43,71 12.43,72 12.43,73 13.811,74 2.577,75 9.244,76 5.2,77 -1,78 -1,79 1.347,80 0.269,81 2.516,82 5.465,83 5.594,84 1.66,85 2.5,87 3.905,88 4.267,89 6.563,90 2.925,91 0.615,92 1,93 4.03,94 24,95 4.573,96 8.658,97 10.056,98 81.685,99 4.709,100 4.636,101 4.007,102 1.95,103 1.95,104 0.422,105 3.97,106 0.486,107 2.815,108 2.815,109 2.854,110 94.169,111 9.677,112 0.438,113 6.491,114 -3,115 -3,116 0.59,117 3.458,118 5.004,119 1.003,120 3.045,121 3.045,122 20,123 3.714,124 2.658,125 3.608,126 -0.842,127 2.928,128 5.389,129 109,130 0.202,131 21.063,132 3.285,133 31,134 9.643,135 3.485,136 6.561,137 4}
{0 CHEMBL1631892,1 3.454,2 11.323,3 4.466,4 2.521,5 2.915,6 0.023,7 2.845,8 6.175,9 3.212,10 2.831,11 2.826,12 2.75,13 2.897,14 1.774,15 1.774,16 3.983,17 2.873,18 2.453,19 3.373,20 3.573,21 0.237,22 2.795,23 0.43,24 0.4,25 0.83,26 9.877,27 0.364,28 116.508,29 2.633,30 0.172,31 2.288,32 9.623,33 0.069,34 -2.347,35 -2.347,36 5.142,37 0.621,38 2.342,39 3.699,41 8.296,42 2.535,43 0.952,44 2.508,45 298,46 9.891,47 12.127,48 9.415,49 9.415,50 9.415,51 9.415,52 9.415,53 7.127,54 3.543,55 3.062,56 -1.797,57 6.351,58 1.555,59 0.24,60 5.142,61 7.978,62 -0.9,63 -0.9,64 27.97,65 -2.126,66 -2.126,67 2.908,68 11.983,69 11.983,70 11.983,71 11.983,72 11.983,73 13.405,74 2.562,75 8.161,76 4.817,77 -1,78 -1,79 1.125,80 0.273,81 2.279,82 5.127,83 5.237,84 1.373,85 2.5,87 3.699,88 3.983,89 6.152,90 2.917,91 0.564,92 1,93 3.934,94 22,95 4.285,96 8.223,97 9.389,98 75.428,99 4.621,100 4.575,101 3.85,102 1.546,103 1.546,104 0.373,105 3.892,106 0.246,107 2.777,108 2.777,109 2.854,110 94.169,111 9.587,112 0.375,113 6.412,114 -3.559,115 -3.559,116 0.323,117 2.911,118 4.934,119 0.973,120 2.996,121 2.996,122 19,123 3.664,124 2.345,125 3.498,126 -0.89,127 2.528,128 5.323,129 102,130 0.213,131 19.301,132 3.141,133 28,134 9.013,135 3.388,136 6.192,137 4.409}
{0 CHEMBL1631895,1 3.637,2 11.411,3 4.729,4 2.834,5 3.026,6 0.041,7 2.96,8 7.382,9 3.255,10 2.925,11 2.955,12 2.963,13 3.046,14 1.799,15 1.799,16 4.153,17 2.983,18 2.547,19 3.521,20 3.593,21 0.225,22 2.923,23 0.465,24 0.489,25 0.83,26 12.726,27 0.421,28 126.718,29 2.864,30 0.213,31 2.423,32 10.044,33 0.122,34 -2.22,35 -2.22,36 5.488,37 0.65,38 2.414,39 3.774,40 0.012,41 8.348,42 2.62,43 0.96,44 2.76,45 334,46 10.314,47 12.521,48 9.898,49 9.898,50 9.898,51 9.898,52 9.898,53 7.761,54 3.711,55 3.197,56 -1.728,57 6.762,58 2,59 0.228,60 5.488,61 8.065,62 -0.83,63 -0.83,64 29.651,65 -2.02,66 -2.02,67 2.96,68 12.43,69 12.43,70 12.43,71 12.43,72 12.43,73 13.811,74 2.649,75 9.287,76 5.2,77 -0.907,78 -0.907,79 1.338,80 0.269,81 2.434,82 5.465,83 5.594,84 1.624,85 2.559,87 3.897,88 4.153,89 6.472,90 2.933,91 0.615,92 1,93 4.03,94 24,95 4.574,96 8.658,97 10.056,98 81.772,99 4.709,100 4.68,101 4.007,102 1.896,103 1.896,104 0.422,105 3.951,106 0.383,107 2.822,108 2.822,109 2.874,110 94.169,111 9.682,112 0.379,113 6.491,114 -3.359,115 -3.359,116 0.459,117 3.435,118 5.004,119 0.998,120 3.045,121 3.045,122 20,123 3.714,124 2.633,125 3.608,126 -0.823,127 2.876,128 5.389,129 109,130 0.202,131 21.063,132 3.291,133 31,134 9.643,135 3.485,136 6.562,137 4}
{0 CHEMBL1645094,1 2.877,2 11.311,3 3.701,4 1.398,5 2.383,7 2.275,8 4.528,9 3.022,10 2.617,11 2.85,12 1.772,13 2.964,14 1.001,15 1.001,16 3.649,17 2.701,18 2.322,19 3.432,20 3.406,21 0.258,22 2.184,23 0.285,24 0.217,25 0.83,26 7.578,27 0.395,28 101.593,29 1.595,30 0.13,31 2.141,32 8.716,33 0.047,34 -4.612,35 -4.612,36 4.773,37 0.332,38 2.138,39 3.356,41 5.423,42 2.423,43 0.683,44 1.474,45 197,46 8.744,47 10.761,48 8.426,49 8.426,50 8.426,51 8.426,52 8.426,53 6.422,54 3.679,55 3.075,56 -2.412,57 5.782,58 1.472,59 0.262,60 4.773,61 7.934,62 -1,63 -1,64 25.345,65 -2.512,66 -2.512,67 2.796,68 10.569,69 10.569,70 10.569,71 10.569,72 10.569,73 12.019,74 2.5,75 6.742,76 4.317,77 -1.602,78 -1.602,79 0.749,80 0.288,81 2.151,82 4.625,83 4.718,84 1.014,85 1.901,87 3.936,88 3.649,89 5.647,90 2.696,91 0.576,92 1,93 3.903,94 20,95 3.848,96 7.22,97 8.595,98 70.232,99 4.491,100 4.1,101 3.714,102 1.534,103 1.534,104 0.366,105 3.871,107 2.305,108 2.305,109 2.62,110 94.169,111 9.57,112 -0.501,113 6.344,114 -4.789,115 -4.789,117 2.274,118 4.844,119 0.716,120 2.89,121 2.89,122 17,123 3.555,124 1.699,125 3.433,126 -0.959,127 2.481,128 5.242,129 94,130 0.234,131 17.301,132 3.179,133 26,134 8.013,135 3.317,136 5.48,137 4.389}
{0 CHEMBL1645095,1 3.095,2 11.519,3 4.159,4 1.854,5 2.464,7 2.416,8 5.64,9 3.247,10 2.627,11 2.826,12 1.984,13 2.937,14 1.587,15 1.587,16 4.057,17 2.632,18 2.278,19 3.217,20 3.481,21 0.252,22 2.453,23 0.351,24 0.26,25 1,26 14.954,27 0.348,28 112.648,29 1.829,30 0.127,31 1.95,32 9.675,33 0.066,34 -3.289,35 -3.289,36 5.137,37 0.327,38 2.359,39 3.483,41 11.223,42 2.379,43 0.65,44 1.791,45 228,46 9.199,47 11.52,48 8.91,49 8.91,50 8.91,51 8.91,52 8.91,53 7.604,54 3.378,55 3.092,56 -2.026,57 6.182,58 1.538,59 0.254,60 6.073,61 8.046,62 -1,63 -1,64 27.112,65 -2.881,66 -2.881,67 2.855,68 11.069,69 11.069,70 11.069,71 11.069,72 11.069,73 12.425,74 2.5,75 8.279,76 4.217,77 -1.273,78 -1.273,79 1.176,80 0.284,81 1.99,82 4.464,83 4.616,84 1.251,85 2.064,87 3.75,88 4.876,89 6.068,90 2.708,91 0.653,92 1,93 3.855,94 23,95 3.702,96 7.108,97 8.849,98 77.35,99 4.593,100 4.504,101 3.892,102 1.719,103 1.719,104 0.422,105 4.025,107 2.509,108 2.509,109 2.641,110 58.856,111 9.698,112 -0.266,113 6.438,114 -4.359,115 -4.359,117 1.513,118 4.92,119 0.685,120 2.944,121 2.944,122 18,123 3.611,124 1.51,125 3.421,126 -0.946,127 2.628,128 5.323,129 102,130 0.225,131 17.438,132 3.206,133 25,134 8.978,135 3.314,136 5.825,137 4.955}
{0 CHEMBL1645096,1 3.158,2 11.471,3 4.322,4 1.878,5 2.599,6 0.016,7 2.499,8 5.808,9 3.159,10 2.715,11 2.827,12 2.066,13 2.848,14 1.178,15 1.178,16 4.122,17 2.785,18 2.324,19 3.299,20 3.485,21 0.248,22 2.424,23 0.309,24 0.258,25 1,26 16.428,27 0.309,28 111.782,29 1.98,30 0.127,31 1.958,32 9.2,33 0.106,34 -3.378,35 -3.378,36 5.025,37 0.264,38 2.155,39 3.525,41 5.955,42 2.375,43 0.686,44 1.965,45 230,46 9.166,47 11.182,48 8.926,49 8.926,50 8.926,51 8.926,52 8.926,53 7.068,54 3.439,55 3.032,56 -1.991,57 6.203,58 1.537,59 0.251,60 5.025,61 8.023,62 -1,63 -1,64 27.158,65 -2.636,66 -2.636,67 2.854,68 11.016,69 11.016,70 11.016,71 11.016,72 11.016,73 12.425,74 2.5,75 7.44,76 4.35,77 -1.32,78 -1.32,79 1.034,80 0.284,81 1.92,82 4.681,83 4.752,84 1.265,85 1.945,87 3.727,88 4.122,89 5.93,90 2.75,91 0.518,92 1,93 3.869,94 22,95 3.871,96 7.503,97 8.842,98 76.863,99 4.627,100 4.439,101 3.892,102 1.698,103 1.698,104 0.332,105 4.025,107 2.57,108 2.57,109 2.696,110 82.398,111 9.661,112 -0.365,113 6.428,114 -4.474,115 -4.474,117 3.106,118 4.92,119 0.673,120 2.944,121 2.944,122 18,123 3.611,124 2.401,125 3.424,126 -0.946,127 2.647,128 5.313,129 101,130 0.225,131 17.205,132 3.038,133 26,134 8.291,135 3.349,136 5.845,137 4.079}
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{0 CHEMBL1922092,1 5.238,2 12.483,3 6.092,4 12.777,5 4.434,6 0.369,7 4.306,8 46.999,9 5.045,10 4.393,11 4.375,12 4.32,13 4.51,14 5.963,15 5.963,16 9.379,17 4.534,18 3.148,19 5.283,20 5.487,21 0.117,22 4.308,23 2.204,24 2.01,25 0.67,26 56.177,27 2.357,28 360.64,29 4.198,30 1.141,31 2.917,32 21.213,33 0.531,34 2.275,35 2.275,36 10.947,37 1.064,38 3.091,39 5.547,40 0.242,41 51.828,42 3.239,43 1.393,44 4.206,45 2378,46 21.895,47 24.756,48 19.726,49 19.726,50 19.726,51 19.726,52 19.726,53 17.283,54 5.518,55 4.355,56 1.026,57 16.607,58 3.502,59 0.118,60 11.957,61 8.943,62 1,63 1,64 61.378,65 2.374,66 2.374,67 3.616,68 23.85,69 23.85,70 23.85,71 23.85,72 23.85,73 26.353,74 3.35,75 40.75,76 13.233,77 1,78 1,79 3.414,80 0.195,81 2.951,82 11.62,83 12.065,84 3.414,85 3.141,86 6.534,87 5.438,88 10.337,89 13.827,90 3.428,91 1.788,93 5.133,94 61,95 9.564,96 15.938,97 21.681,98 185.261,99 5.385,100 6.138,101 5.799,102 2.731,103 2.731,104 1.125,105 4.927,106 1.064,107 6.987,108 6.987,109 3.36,110 341.362,111 10.618,112 1.532,113 7.311,114 2.275,115 2.275,116 1.153,117 22.328,118 5.759,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 14.607,125 4.48,126 0.965,127 3.668,128 6.159,129 236,130 0.108,131 44.745,132 4.483,133 73,134 21.845,135 4.342,136 13.363,137 8.824}
{0 CHEMBL1922093,1 5.203,2 12.395,3 6.07,4 12.386,5 4.345,6 0.299,7 4.239,8 46.325,9 4.857,10 4.284,11 4.264,12 4.249,13 4.39,14 5.147,15 5.147,16 9.154,17 4.391,18 3.111,19 5.07,20 5.2,21 0.123,22 4.273,23 1.995,24 1.908,25 0.67,26 64.42,27 2.019,28 333.504,29 4.134,30 0.98,31 2.91,32 20.166,33 0.5,34 2.275,35 2.275,36 10.642,37 1.064,38 3.085,39 5.323,40 0.152,41 42.469,42 3.206,43 1.376,44 4.167,45 2076,46 21.254,47 24.144,48 18.686,49 18.686,50 18.686,51 18.686,52 18.686,53 15.514,54 5.265,55 4.258,56 1,57 15.506,58 3.414,59 0.124,60 11.652,61 8.837,62 1,63 1,64 57.152,65 2.306,66 2.306,67 3.561,68 23.248,69 23.248,70 23.248,71 23.248,72 23.248,73 25.66,74 3.219,75 34.74,76 11.35,77 1,78 1,79 3.247,80 0.197,81 2.941,82 10.891,83 11.184,84 3.414,85 3.073,86 6.32,87 5.372,88 10.113,89 13.202,90 3.398,91 1.614,93 5.024,94 57,95 8.882,96 15.212,97 20.242,98 167.365,99 5.33,100 6.045,101 5.762,102 2.721,103 2.721,104 1.017,105 4.898,106 1.064,107 6.178,108 6.178,109 3.335,110 294.278,111 10.505,112 1.342,113 7.216,114 2.275,115 2.275,116 1.153,117 18.249,118 5.68,119 1.429,120 3.664,121 3.664,122 38,123 4.344,124 12.687,125 4.378,126 0.965,127 3.658,128 6.089,129 220,130 0.112,131 40.671,132 4.379,133 66,134 19.922,135 4.253,136 12.601,137 8.252}
{0 CHEMBL1922094,1 5.22,2 12.425,3 6.087,4 12.624,5 4.384,6 0.319,7 4.269,8 46.612,9 4.897,10 4.334,11 4.316,12 4.28,13 4.444,14 5.228,15 5.228,16 9.279,17 4.456,18 3.131,19 5.169,20 5.232,21 0.12,22 4.291,23 2.091,24 1.958,25 0.67,26 62.249,27 2.162,28 346.359,29 4.164,30 1.061,31 2.91,32 20.742,33 0.5,34 2.275,35 2.275,36 10.81,37 1.064,38 3.088,39 5.425,40 0.188,41 46.97,42 3.226,43 1.385,44 4.188,45 2235,46 21.616,47 24.516,48 19.222,49 19.222,50 19.222,51 19.222,52 19.222,53 16.231,54 5.379,55 4.297,56 1,57 16.077,58 3.414,59 0.121,60 11.82,61 8.874,62 1,63 1,64 59.353,65 2.315,66 2.315,67 3.589,68 23.585,69 23.585,70 23.585,71 23.585,72 23.585,73 26.065,74 3.245,75 37.385,76 12.183,77 1,78 1,79 3.282,80 0.196,81 2.947,82 11.299,83 11.642,84 3.414,85 3.082,86 6.345,87 5.399,88 10.237,89 13.549,90 3.42,91 1.676,93 5.071,94 59,95 9.237,96 15.595,97 20.913,98 174.402,99 5.358,100 6.089,101 5.781,102 2.726,103 2.726,104 1.055,105 4.913,106 1.064,107 6.221,108 6.221,109 3.352,110 317.82,111 10.542,112 1.5,113 7.252,114 2.275,115 2.275,116 1.153,117 20.041,118 5.714,119 1.429,120 3.689,121 3.689,122 39,123 4.369,124 13.57,125 4.42,126 0.965,127 3.663,128 6.12,129 227,130 0.109,131 42.432,132 4.415,133 69,134 20.792,135 4.293,136 12.997,137 8.174}
{0 CHEMBL1922095,1 5.236,2 12.483,3 6.105,4 12.881,5 4.422,6 0.369,7 4.299,8 46.984,9 5.045,10 4.382,11 4.366,12 4.311,13 4.495,14 5.963,15 5.963,16 9.379,17 4.516,18 3.146,19 5.259,20 5.487,21 0.117,22 4.308,23 2.188,24 2.007,25 0.67,26 61.129,27 2.304,28 360.64,29 4.193,30 1.141,31 2.916,32 21.26,33 0.531,34 2.275,35 2.275,36 10.947,37 1.064,38 3.091,39 5.517,40 0.242,41 52.218,42 3.237,43 1.392,44 4.208,45 2378,46 21.895,47 24.782,48 19.726,49 19.726,50 19.726,51 19.726,52 19.726,53 17.283,54 5.482,55 4.343,56 1.026,57 16.607,58 3.502,59 0.118,60 11.957,61 8.943,62 1,63 1,64 61.41,65 2.374,66 2.374,67 3.616,68 23.85,69 23.85,70 23.85,71 23.85,72 23.85,73 26.353,74 3.35,75 40.522,76 13.1,77 1,78 1,79 3.414,80 0.195,81 2.951,82 11.564,83 11.994,84 3.414,85 3.141,86 6.357,87 5.425,88 10.337,89 13.827,90 3.426,91 1.744,93 5.116,94 61,95 9.49,96 15.905,97 21.599,98 185.261,99 5.387,100 6.132,101 5.799,102 2.731,103 2.731,104 1.093,105 4.927,106 1.064,107 6.987,108 6.987,109 3.359,110 341.362,111 10.618,112 1.532,113 7.311,114 2.275,115 2.275,116 1.153,117 21.752,118 5.759,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 14.418,125 4.46,126 0.965,127 3.668,128 6.159,129 236,130 0.108,131 44.194,132 4.464,133 72,134 21.715,135 4.332,136 13.391,137 8.301}
{0 CHEMBL1926704,1 4.234,2 12.091,3 5.542,4 8.522,5 3.611,6 0.215,7 3.543,8 29.091,9 4.14,10 3.636,11 3.739,12 3.672,13 3.842,14 3.421,15 3.421,16 5.988,17 3.699,18 3.006,19 4.462,20 4.95,21 0.166,22 3.967,23 1.005,24 0.8,25 0.67,26 72.72,27 1.059,28 229.671,29 3.508,30 0.651,31 2.804,32 15.204,33 0.441,34 -0.233,35 -0.233,36 7.623,37 0.897,38 3.034,39 4.712,40 0.153,41 98.646,42 3.084,43 1.25,44 4.265,45 1083,46 14.708,47 17.878,48 14.219,49 14.219,50 14.219,51 14.219,52 14.219,53 14.948,54 4.613,55 3.867,56 -0.438,57 10.136,58 2.765,59 0.171,60 9.327,61 8.632,62 0.31,63 0.31,64 44.661,65 0.72,66 0.72,67 3.34,68 17.341,69 17.341,70 17.341,71 17.341,72 17.341,73 18.205,74 3.011,75 21.455,76 8.143,77 -0.101,78 -0.101,79 2.342,80 0.234,81 2.886,82 7.24,83 7.649,84 2.376,85 2.914,86 0.788,87 4.772,88 7.724,89 10.199,90 3.214,91 1.048,93 4.476,94 45,95 6.03,96 10.51,97 14.809,98 135.551,99 5.089,100 5.904,101 4.357,102 2.335,103 2.335,104 0.685,105 4.419,106 0.84,107 5.706,108 5.706,109 3.16,110 164.795,111 10.314,112 1.18,113 6.995,114 -0.805,115 -0.805,116 0.907,117 7.387,118 5.442,119 1.259,120 3.401,121 3.401,122 29,123 4.078,124 7.812,125 3.939,126 0.264,127 3.31,128 5.838,129 171,130 0.154,131 30.96,132 3.957,133 43,134 17.248,135 3.852,136 10.278,137 6.77}
{0 CHEMBL1928522,1 4.231,2 12.031,3 5.553,4 5.984,5 3.566,6 0.195,7 3.514,8 16.354,9 3.917,10 3.59,11 3.649,12 3.475,13 3.68,14 3.045,15 3.045,16 5.638,17 3.603,18 3.006,19 4.459,20 4.694,21 0.172,22 3.704,23 0.944,24 0.755,25 0.83,26 67.315,27 0.992,28 217.378,29 3.418,30 0.651,31 2.772,32 14.274,33 0.41,34 -0.235,35 -0.235,36 7.415,37 0.881,38 2.824,39 4.715,40 0.12,41 96.115,42 3.086,43 1.25,44 3.488,45 982,46 14.286,47 17.205,48 13.736,49 13.736,50 13.736,51 13.736,52 13.736,53 13.089,54 4.623,55 3.809,56 -0.851,57 9.723,58 2.745,59 0.177,60 8.461,61 8.583,62 0.255,63 0.255,64 42.686,65 0.586,66 0.586,67 3.304,68 16.894,69 16.894,70 16.894,71 16.894,72 16.894,73 17.8,74 3.011,75 17.465,76 8.083,77 -0.101,78 -0.101,79 2.295,80 0.237,81 2.767,82 7.147,83 7.482,84 2.312,85 2.914,86 0.783,87 4.78,88 6.475,89 9.857,90 3.216,91 1.029,92 1,93 4.482,94 43,95 5.98,96 10.829,97 14.182,98 129.114,99 5.088,100 5.9,101 4.277,102 2.327,103 2.327,104 0.685,105 4.344,106 0.84,107 4.396,108 4.396,109 3.159,110 176.567,111 10.263,112 1.168,113 6.948,114 -1.675,115 -1.675,116 0.907,117 7.594,118 5.398,119 1.259,120 3.367,121 3.367,122 28,123 4.043,124 6.516,125 3.944,126 0.242,127 3.308,128 5.796,129 164,130 0.159,131 28.301,132 3.85,133 43,134 14.79,135 3.851,136 9.899,137 5.469}
{0 CHEMBL1928523,1 4.235,2 12.09,3 5.563,4 6.234,5 3.603,6 0.246,7 3.545,8 16.093,9 4.212,10 3.625,11 3.701,12 3.501,13 3.746,14 3.711,15 3.711,16 5.88,17 3.653,18 3.006,19 4.464,20 4.797,21 0.166,22 3.888,23 0.967,24 0.759,25 0.67,26 71.977,27 1.008,28 229.216,29 3.443,30 0.691,31 2.778,32 15.085,33 0.434,34 -0.233,35 -0.233,36 7.674,37 0.885,38 3.044,39 4.711,40 0.144,41 99.139,42 3.086,43 1.25,44 3.698,45 1090,46 14.708,47 17.813,48 14.219,49 14.219,50 14.219,51 14.219,52 14.219,53 14.539,54 4.62,55 3.854,56 -0.466,57 10.136,58 2.767,59 0.171,60 9.19,61 8.632,62 0.318,63 0.318,64 44.571,65 0.737,66 0.737,67 3.34,68 17.341,69 17.341,70 17.341,71 17.341,72 17.341,73 18.205,74 3.021,75 20.912,76 8.143,77 -0.101,78 -0.101,79 2.338,80 0.234,81 2.783,82 7.239,83 7.63,84 2.381,85 2.915,86 0.779,87 4.777,88 7.202,89 10.193,90 3.215,91 1.023,92 1,93 4.479,94 45,95 6.031,96 10.66,97 14.744,98 135.511,99 5.096,100 5.917,101 4.394,102 2.349,103 2.349,104 0.676,105 4.407,106 0.84,107 5.184,108 5.184,109 3.16,110 164.795,111 10.314,112 1.233,113 6.995,114 -0.887,115 -0.887,116 0.907,117 7.489,118 5.442,119 1.259,120 3.401,121 3.401,122 29,123 4.078,124 7.31,125 3.941,126 0.284,127 3.313,128 5.838,129 171,130 0.154,131 29.654,132 3.906,133 43,134 16.677,135 3.856,136 10.269,137 6}
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{0 CHEMBL1928718,1 4.106,2 12.039,3 5.367,4 5.591,5 3.51,6 0.235,7 3.443,8 13.2,9 4.156,10 3.539,11 3.641,12 3.464,13 3.664,14 3.453,15 3.453,16 5.975,17 3.585,18 3.06,19 4.369,20 4.941,21 0.171,22 3.619,23 1.006,24 0.795,25 1,26 49.993,27 1.135,28 217.194,29 3.401,30 0.584,31 2.848,32 14.278,33 0.41,34 0.185,35 0.185,36 7.437,37 1.002,38 2.918,39 4.635,40 0.123,41 89.702,42 3.141,43 1.303,44 3.542,45 930,46 14.584,47 17.331,48 13.678,49 13.678,50 13.678,51 13.678,52 13.678,53 12.359,54 4.558,55 3.799,56 -0.806,57 9.804,58 2.747,59 0.177,60 8.345,61 8.585,62 0.228,63 0.228,64 42.356,65 0.435,66 0.435,67 3.304,68 17.004,69 17.004,70 17.004,71 17.004,72 17.004,73 17.8,74 3.024,75 17.97,76 8.06,77 0.085,78 0.085,79 2.35,80 0.237,81 2.861,82 7.128,83 7.478,84 2.367,85 3.007,86 0.77,87 4.758,88 6.145,89 9.902,90 3.253,91 1.107,92 1,93 4.454,94 43,95 5.953,96 10.937,97 14.217,98 128.568,99 5.075,100 5.753,101 4.382,102 2.356,103 2.356,104 0.724,105 4.382,106 0.712,107 5.616,108 5.616,109 3.187,110 179.756,111 10.268,112 1.066,113 6.948,114 -1.265,115 -1.265,116 0.779,117 7.434,118 5.398,119 1.337,120 3.367,121 3.367,122 28,123 4.043,124 6.54,125 3.909,126 0.214,127 3.347,128 5.796,129 164,130 0.159,131 28.33,132 3.84,133 42,134 14.774,135 3.817,136 9.889,137 6.509}
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{0 CHEMBL1928724,1 4.185,2 12.119,3 5.643,4 5.503,5 3.472,6 0.255,7 3.47,8 12.299,9 4.156,10 3.588,11 3.642,12 3.446,13 3.617,14 3.456,15 3.456,16 6.123,17 3.543,18 3.059,19 4.429,20 5.096,21 0.16,22 3.758,23 0.912,24 0.825,25 0.83,26 116.937,27 1.088,28 240.68,29 3.433,30 0.706,31 2.846,32 15.316,33 0.441,34 0.43,35 0.43,36 7.865,37 0.989,38 2.918,39 4.52,40 0.153,41 106.572,42 3.137,43 1.286,44 3.646,45 1196,46 15.539,47 18.586,48 14.646,49 14.646,50 14.646,51 14.646,52 14.646,53 13.377,54 4.566,55 3.795,56 -0.13,57 10.375,58 2.802,59 0.165,60 8.307,61 8.654,62 0.481,63 0.481,64 45.619,65 0.89,66 0.89,67 3.375,68 18.212,69 18.212,70 18.212,71 18.212,72 18.212,73 18.898,74 3.024,75 17.809,76 7.593,77 0.225,78 0.225,79 2.35,80 0.23,81 2.858,82 7.267,83 7.523,84 2.744,85 3.011,86 0.493,87 4.596,88 6.664,89 10.623,90 3.237,91 1.108,92 1,93 4.412,94 47,95 6.027,96 11.611,97 14.752,98 138.406,99 5.204,100 5.875,101 4.454,102 2.368,103 2.368,104 0.736,105 4.454,106 0.712,107 5.921,108 5.921,109 3.199,110 144.442,111 10.336,112 1.206,113 7.018,114 -0.235,115 -0.235,116 0.779,117 4.942,118 5.468,119 1.329,120 3.434,121 3.434,122 30,123 4.111,124 5.169,125 3.905,126 0.448,127 3.354,128 5.866,129 176,130 0.149,131 27.722,132 3.764,133 41,134 15.038,135 3.826,136 10.821,137 6.921}
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{0 CHEMBL1928727,1 4.66,2 12.217,3 5.953,4 8.768,5 3.781,6 0.29,7 3.754,8 28.061,9 4.219,10 3.859,11 3.938,12 3.731,13 3.984,14 3.653,15 3.653,16 6.735,17 3.861,18 3.184,19 4.839,20 5.162,21 0.15,22 3.95,23 1.199,24 1.033,25 0.83,26 160.872,27 1.347,28 266.927,29 3.659,30 0.91,31 2.943,32 16.343,33 0.441,34 0.886,35 0.886,36 8.353,37 1.049,38 3.12,39 4.877,40 0.209,41 78.53,42 3.222,43 1.381,44 3.729,45 1458,46 16.823,47 19.846,48 15.63,49 15.63,50 15.63,51 15.63,52 15.63,53 14.822,54 5.031,55 4.018,56 0.355,57 11.384,58 3.102,59 0.155,60 9.405,61 8.721,62 0.827,63 0.827,64 48.926,65 1.873,66 1.873,67 3.441,68 19.419,69 19.419,70 19.419,71 19.419,72 19.419,73 19.997,74 3.086,75 21.267,76 9.65,77 0.479,78 0.479,79 2.721,80 0.224,81 2.889,82 8.039,83 8.44,84 2.793,85 3.024,86 2.277,87 4.958,88 7.785,89 11.187,90 3.354,91 1.188,92 1,93 4.635,94 51,95 6.752,96 12.515,97 16.025,98 148.687,99 5.257,100 6.127,101 4.564,102 2.565,103 2.565,104 0.797,105 4.564,106 0.976,107 5.945,108 5.945,109 3.288,110 200.109,111 10.407,112 1.222,113 7.084,114 0.426,115 0.426,116 1.024,117 7.711,118 5.533,119 1.338,120 3.497,121 3.497,122 32,123 4.174,124 6.668,125 4.081,126 0.795,127 3.515,128 5.932,129 188,130 0.14,131 32.313,132 4.061,133 49,134 17.107,135 3.981,136 11.405,137 7.62}
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{0 CHEMBL2018214,1 4.447,2 12.163,3 5.569,4 7.348,5 3.802,6 0.136,7 3.742,8 23.046,9 4.16,10 3.832,11 3.824,12 3.684,13 3.885,14 3.387,15 3.387,16 6.969,17 3.856,18 2.933,19 4.641,20 4.981,21 0.138,22 4.024,23 1.002,24 0.832,25 1,26 47.144,27 1.115,28 230.859,29 3.567,30 0.674,31 2.806,32 15.58,33 0.459,34 0.102,35 0.102,36 8.392,37 0.827,38 2.956,39 4.776,40 0.066,41 58.774,42 2.994,43 1.15,44 3.764,45 980,46 15.911,47 18.215,48 14.289,49 14.289,50 14.289,51 14.289,52 14.289,53 12.279,54 4.819,55 3.877,56 -0.408,57 11.833,58 2.749,59 0.156,60 8.865,61 8.609,62 0.408,63 0.408,64 44.202,65 1.018,66 1.018,67 3.305,68 17.499,69 17.499,70 17.499,71 17.499,72 17.499,73 19.304,74 2.924,75 24.075,76 8.202,77 0.043,78 0.043,79 2.369,80 0.228,81 2.837,82 7.941,83 8.174,84 2.609,85 2.867,86 5.227,87 4.874,88 7.312,89 10.222,90 3.206,91 1.073,92 1,93 4.64,94 44,95 6.476,96 11.38,97 15.055,98 131.146,99 5.009,100 5.789,101 5.136,102 2.391,103 2.391,104 0.671,105 4.615,106 0.733,107 5.368,108 5.368,109 3.111,110 200.109,111 10.292,112 1.147,113 6.973,114 -0.779,115 -0.779,116 0.796,117 8.145,118 5.425,119 1.115,120 3.401,121 3.401,122 29,123 4.078,124 6.713,125 4.013,126 0.307,127 3.347,128 5.838,129 171,130 0.145,131 29.983,132 3.954,133 46,134 15.665,135 3.905,136 9.612,137 7.301}
{0 CHEMBL2018215,1 4.546,2 12.205,3 5.656,4 9.495,5 3.955,6 0.146,7 3.863,8 31.34,9 4.217,10 3.923,11 3.903,12 3.849,13 3.99,14 3.446,15 3.446,16 7.197,17 3.98,18 3,19 4.688,20 5.02,21 0.133,22 4.277,23 1.141,24 0.993,25 1,26 48.541,27 1.258,28 243.595,29 3.699,30 0.77,31 2.806,32 16.322,33 0.506,34 0.605,35 0.605,36 8.67,37 0.827,38 3.113,39 4.78,40 0.078,41 62.485,42 3.074,43 1.203,44 3.975,45 1093,46 16.834,47 19.353,48 14.727,49 14.727,50 14.727,51 14.727,52 14.727,53 12.936,54 4.87,55 3.926,56 -0.125,57 12.254,58 2.85,59 0.151,60 9.609,61 8.634,62 0.537,63 0.537,64 45.297,65 1.169,66 1.169,67 3.341,68 18.37,69 18.37,70 18.37,71 18.37,72 18.37,73 19.997,74 2.934,75 26.938,76 8.369,77 0.319,78 0.319,79 2.585,80 0.224,81 2.838,82 8.035,83 8.394,84 2.641,85 2.867,86 5.259,87 4.847,88 8.055,89 10.552,90 3.206,91 1.143,92 1,93 4.645,94 46,95 6.561,96 11.454,97 15.601,98 134.116,99 5.031,100 5.876,101 5.231,102 2.412,103 2.412,104 0.699,105 4.663,106 0.814,107 5.574,108 5.574,109 3.111,110 200.109,111 10.317,112 1.147,113 6.997,114 -0.212,115 -0.212,116 0.847,117 8.031,118 5.451,119 1.169,120 3.434,121 3.434,122 30,123 4.111,124 8.029,125 4.028,126 0.437,127 3.351,128 5.866,129 176,130 0.14,131 31.631,132 4.014,133 47,134 16.89,135 3.928,136 9.986,137 7.509}
{0 CHEMBL2018216,1 4.698,2 12.382,3 5.75,4 9.642,5 4.048,6 0.134,7 3.981,8 32.3,9 4.543,10 4.035,11 3.98,12 3.962,13 4.041,14 4.441,15 4.441,16 7.548,17 4.059,18 3.023,19 4.814,20 5.02,21 0.125,22 4.238,23 1.263,24 1.078,25 0.83,26 54.428,27 1.368,28 265.072,29 3.838,30 0.77,31 2.849,32 17.065,33 0.56,34 1.005,35 1.005,36 9.086,37 1.064,38 3.165,39 4.949,40 0.071,41 70.352,42 3.088,43 1.325,44 4.03,45 1228,46 17.643,47 19.844,48 15.793,49 15.793,50 15.793,51 15.793,52 15.793,53 13.303,54 5.005,55 3.988,56 0.047,57 13.366,58 3.217,59 0.143,60 9.558,61 8.743,62 1,63 1,64 48.904,65 2.136,66 2.136,67 3.376,68 19.154,69 19.154,70 19.154,71 19.154,72 19.154,73 21.789,74 3.042,75 27.284,76 8.536,77 0.4,78 0.4,79 2.636,80 0.214,81 2.843,82 9.091,83 9.279,84 2.833,85 2.867,86 5.474,87 4.972,88 7.891,89 10.88,90 3.206,91 1.186,92 1,93 4.734,94 48,95 7.367,96 12.465,97 17.259,98 147.247,99 5.051,100 5.964,101 5.464,102 2.624,103 2.624,104 0.738,105 4.762,106 0.827,107 5.593,108 5.593,109 3.111,110 223.651,111 10.439,112 1.284,113 7.094,114 0.097,115 0.097,116 0.847,117 10.148,118 5.533,119 1.349,120 3.497,121 3.497,122 32,123 4.174,124 8.501,125 4.107,126 0.908,127 3.569,128 5.958,129 193,130 0.133,131 32.745,132 4.048,133 51,134 16.657,135 3.998,136 10.401,137 6.886}
{0 CHEMBL2018217,1 4.563,2 12.207,3 5.705,4 7.667,5 3.883,6 0.156,7 3.82,8 26.05,9 4.384,10 3.904,11 3.901,12 3.77,13 3.976,14 4.031,15 4.031,16 7.198,17 3.941,18 2.975,19 4.747,20 5.02,21 0.133,22 4.091,23 1.099,24 0.943,25 0.83,26 58.329,27 1.232,28 243.472,29 3.669,30 0.735,31 2.806,32 16.066,33 0.54,34 0.103,35 0.103,36 8.696,37 0.827,38 3.052,39 4.864,40 0.099,41 57.247,42 3.053,43 1.225,44 3.849,45 1093,46 16.359,47 18.654,48 14.772,49 14.772,50 14.772,51 14.772,52 14.772,53 12.912,54 4.943,55 3.951,56 -0.393,57 12.317,58 2.776,59 0.151,60 9.169,61 8.657,62 0.408,63 0.408,64 45.846,65 1.022,66 1.022,67 3.341,68 17.947,69 17.947,70 17.947,71 17.947,72 17.947,73 19.709,74 3.204,75 26.588,76 9.036,77 0.043,78 0.043,79 2.372,80 0.225,81 2.837,82 8.316,83 8.61,84 2.641,85 2.867,86 5.252,87 4.983,88 7.541,89 10.549,90 3.225,91 1.135,92 1,93 4.708,94 46,95 6.815,96 11.779,97 15.734,98 137.503,99 5.049,100 5.857,101 5.22,102 2.431,103 2.431,104 0.71,105 4.654,106 0.824,107 5.603,108 5.603,109 3.148,110 223.651,111 10.34,112 1.284,113 7.018,114 -0.778,115 -0.778,116 0.847,117 9.627,118 5.468,119 1.245,120 3.434,121 3.434,122 30,123 4.111,124 7.524,125 4.073,126 0.308,127 3.384,128 5.878,129 178,130 0.14,131 31.745,132 4.035,133 49,134 16.536,135 3.961,136 9.992,137 7.5}
{0 CHEMBL2018218,1 4.372,2 12.205,3 5.587,4 7.95,5 3.918,6 0.146,7 3.825,8 22.819,9 4.217,10 3.891,11 3.866,12 3.798,13 3.94,14 3.446,15 3.446,16 7.197,17 3.953,18 2.899,19 4.555,20 5.02,21 0.133,22 4.246,23 1.046,24 0.878,25 1,26 44.552,27 1.174,28 243.595,29 3.655,30 0.77,31 2.798,32 16.012,33 0.506,34 0.605,35 0.605,36 8.67,37 0.821,38 3.112,39 4.62,40 0.078,41 48.524,42 2.925,43 1.062,44 3.925,45 1093,46 16.121,47 19.155,48 14.727,49 14.727,50 14.727,51 14.727,52 14.727,53 12.936,54 4.722,55 3.878,56 -0.126,57 11.284,58 2.85,59 0.152,60 9.609,61 8.634,62 0.537,63 0.537,64 45.299,65 1.169,66 1.169,67 3.341,68 18.37,69 18.37,70 18.37,71 18.37,72 18.37,73 19.997,74 3.188,75 23.394,76 7.786,77 0.319,78 0.319,79 2.585,80 0.224,81 2.803,82 7.64,83 8.021,84 2.641,85 2.867,86 3.156,87 4.65,88 8.055,89 10.552,90 3.062,91 1.033,92 1,93 4.451,94 46,95 6.307,96 11.621,97 15.205,98 134.116,99 5.039,100 5.787,101 5.231,102 2.412,103 2.412,104 0.619,105 4.663,106 0.815,107 5.574,108 5.574,109 2.985,110 153.024,111 10.317,112 1.181,113 6.997,114 -0.212,115 -0.212,116 0.847,117 6.296,118 5.451,119 1.107,120 3.434,121 3.434,122 30,123 4.111,124 7.05,125 3.924,126 0.44,127 3.361,128 5.866,129 176,130 0.14,131 30.654,132 3.947,133 43,134 16.463,135 3.833,136 9.931,137 7.102}
{0 CHEMBL2018219,1 4.757,2 12.32,3 6.173,4 8.278,5 3.882,6 0.274,7 3.873,8 26.092,9 4.54,10 3.921,11 3.981,12 3.804,13 4.001,14 4.541,15 4.541,16 7.537,17 3.922,18 3.111,19 4.849,20 4.985,21 0.129,22 3.977,23 1.508,24 1.596,25 0.83,26 89.809,27 1.538,28 269.329,29 3.773,30 0.755,31 2.91,32 17.072,33 0.69,34 0.863,35 0.863,36 9.376,37 1.064,38 2.931,39 4.97,40 0.169,41 75.686,42 3.206,43 1.376,44 3.985,45 1320,46 17.474,47 19.73,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 11.574,54 5.058,55 4.049,56 -0.065,57 13.38,58 3.23,59 0.143,60 8.392,61 8.764,62 1,63 1,64 49.479,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 2.944,75 27.897,76 9.595,77 0.325,78 0.325,79 2.709,80 0.22,81 2.941,82 8.795,83 8.977,84 2.879,85 2.92,86 4.795,87 5.232,88 6.969,89 10.927,90 3.258,91 1.806,92 1,93 4.81,94 50,95 7.184,96 12.847,97 16.48,98 151.883,99 5.179,100 5.978,101 5.313,102 2.656,103 2.656,104 0.96,105 4.7,106 0.904,107 5.368,108 5.368,109 3.174,110 280.302,111 10.46,112 1.414,113 7.114,114 -0.131,115 -0.131,116 0.971,117 9.33,118 5.549,119 1.429,120 3.497,121 3.497,122 32,123 4.174,124 6.932,125 4.148,126 0.925,127 3.587,128 5.953,129 192,130 0.134,131 31.603,132 4.071,133 52,134 16.031,135 4.03,136 11.236,137 7.699}
{0 CHEMBL2018220,1 4.788,2 12.357,3 6.201,4 10.638,5 4.036,6 0.284,7 3.983,8 34.531,9 4.541,10 4.005,11 4.049,12 3.956,13 4.095,14 4.583,15 4.583,16 7.765,17 4.036,18 3.126,19 4.887,20 5.111,21 0.125,22 4.178,23 1.691,24 1.883,25 0.83,26 82.951,27 1.722,28 282.774,29 3.89,30 0.852,31 2.91,32 17.814,33 0.706,34 1.101,35 1.101,36 9.653,37 1.064,38 2.962,39 4.974,40 0.182,41 86.189,42 3.213,43 1.376,44 4.25,45 1486,46 18.397,47 20.868,48 16.221,49 16.221,50 16.221,51 16.221,52 16.221,53 12.232,54 5.098,55 4.09,56 0.232,57 13.801,58 3.247,59 0.139,60 9.136,61 8.785,62 1,63 1,64 50.614,65 2.136,66 2.136,67 3.441,68 19.842,69 19.842,70 19.842,71 19.842,72 19.842,73 21.383,74 2.944,75 30.891,76 9.762,77 0.527,78 0.527,79 2.723,80 0.216,81 2.941,82 8.888,83 9.197,84 2.98,85 2.93,86 4.827,87 5.213,88 7.713,89 11.257,90 3.259,91 1.875,92 1,93 4.814,94 52,95 7.269,96 12.921,97 17.026,98 154.877,99 5.198,100 6.055,101 5.394,102 2.656,103 2.656,104 0.997,105 4.745,106 0.945,107 5.749,108 5.749,109 3.177,110 280.302,111 10.481,112 1.414,113 7.135,114 0.429,115 0.429,116 1.009,117 9.759,118 5.572,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 9.195,125 4.161,126 0.934,127 3.587,128 5.979,129 197,130 0.13,131 33.25,132 4.125,133 53,134 17.256,135 4.051,136 11.616,137 7.602}
{0 CHEMBL2018221,1 4.942,2 12.511,3 6.229,4 10.462,5 4.107,6 0.347,7 4.084,8 30.614,9 4.699,10 4.109,11 4.116,12 4.068,13 4.14,14 4.816,15 4.816,16 8.116,17 4.114,18 3.164,19 4.992,20 5.565,21 0.118,22 4.145,23 1.806,24 1.947,25 0.83,26 104.465,27 1.828,28 305.294,29 4.016,30 0.852,31 2.967,32 18.557,33 0.728,34 2.136,35 2.136,36 10.069,37 1.064,38 2.97,39 5.114,40 0.174,41 92.27,42 3.253,43 1.376,44 4.146,45 1648,46 19.206,47 21.359,48 17.288,49 17.288,50 17.288,51 17.288,52 17.288,53 12.598,54 5.207,55 4.143,56 0.362,57 14.913,58 3.253,59 0.131,60 9.086,61 8.88,62 1.004,63 1.004,64 54.196,65 2.605,66 2.605,67 3.473,68 20.626,69 20.626,70 20.626,71 20.626,72 20.626,73 23.175,74 3.047,75 31.243,76 9.929,77 1,78 1,79 2.96,80 0.208,81 2.941,82 9.944,83 10.082,84 3.247,85 2.944,86 5.042,87 5.301,88 7.548,89 11.585,90 3.295,91 1.925,92 1,93 4.89,94 54,95 8.074,96 13.932,97 18.684,98 167.984,99 5.215,100 6.12,101 5.617,102 2.678,103 2.678,104 1.038,105 4.836,106 1.064,107 7.029,108 7.029,109 3.243,110 303.845,111 10.585,112 1.414,113 7.22,114 0.844,115 0.844,116 1.153,117 11.559,118 5.645,119 1.429,120 3.584,121 3.584,122 35,123 4.263,124 8.945,125 4.23,126 0.946,127 3.62,128 6.061,129 214,130 0.123,131 34.364,132 4.155,133 57,134 17.023,135 4.114,136 12.03,137 7.398}
{0 CHEMBL2018222,1 4.843,2 12.359,3 6.25,4 8.482,5 3.957,6 0.294,7 3.942,8 29.103,9 4.78,10 3.988,11 4.048,12 3.881,13 4.082,14 4.904,15 4.904,16 7.767,17 4.002,18 3.174,19 4.936,20 5.062,21 0.125,22 4.048,23 1.602,24 1.702,25 0.83,26 101.051,27 1.647,28 282.425,29 3.856,30 0.817,31 3.01,32 17.558,33 0.771,34 0.867,35 0.867,36 9.68,37 1.132,38 2.991,39 5.042,40 0.202,41 71.724,42 3.258,43 1.418,44 4.054,45 1444,46 17.922,47 20.169,48 16.267,49 16.267,50 16.267,51 16.267,52 16.267,53 12.208,54 5.157,55 4.111,56 -0.065,57 13.863,58 3.251,59 0.139,60 8.696,61 8.805,62 1.027,63 1.027,64 51.139,65 2.507,66 2.507,67 3.441,68 19.419,69 19.419,70 19.419,71 19.419,72 19.419,73 21.096,74 3.204,75 30.501,76 10.429,77 0.326,78 0.326,79 2.714,80 0.218,81 3.033,82 9.17,83 9.413,84 2.901,85 2.94,86 4.82,87 5.309,88 7.198,89 11.254,90 3.346,91 1.868,92 1,93 4.868,94 52,95 7.523,96 13.246,97 17.159,98 158.24,99 5.213,100 6.035,101 5.384,102 2.669,103 2.669,104 0.998,105 4.736,106 0.906,107 6.087,108 6.087,109 3.26,110 303.845,111 10.501,112 1.414,113 7.154,114 -0.131,115 -0.131,116 0.975,117 10.737,118 5.587,119 1.436,120 3.526,121 3.526,122 33,123 4.205,124 7.691,125 4.2,126 0.929,127 3.603,128 5.989,129 199,130 0.13,131 33.364,132 4.144,133 55,134 16.902,135 4.08,136 11.619,137 8.199}
{0 CHEMBL2018263,1 3.805,2 11.616,3 4.993,4 3.425,5 3.177,6 0.08,7 3.138,8 8.975,9 3.488,10 3.227,11 3.419,12 3.143,13 3.519,14 2.617,15 2.617,16 4.901,17 3.288,18 2.877,19 3.991,20 4.693,21 0.164,22 3.485,23 0.535,24 0.498,25 1,26 25.808,27 0.648,28 174.785,29 3.098,30 0.279,31 2.749,32 13.229,33 0.243,34 -0.875,35 -0.875,36 6.66,37 0.839,38 2.799,39 3.941,40 0.116,41 19.93,42 2.921,43 1.141,44 3.322,45 695,46 13.527,47 16.221,48 12.282,49 12.282,50 12.282,51 12.282,52 12.282,53 10.868,54 4.145,55 3.558,56 -0.72,57 9.139,58 2.283,59 0.177,60 7.593,61 8.283,62 -0.191,63 -0.191,64 36.889,65 -0.423,66 -0.423,67 3.187,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.689,75 16.026,76 6.826,77 -0.393,78 -0.393,79 2,80 0.245,81 2.746,82 6.441,83 6.74,84 2.145,85 2.649,87 4.451,88 5.874,89 8.137,90 2.971,91 0.751,92 1,93 4.27,94 32,95 5.353,96 9.939,97 12.435,98 102.467,99 4.962,100 5.062,101 4.344,102 2.241,103 2.241,104 0.483,105 4.143,106 0.824,107 4.813,108 4.813,109 2.933,110 141.253,111 9.893,112 0.719,113 6.715,114 -1.602,115 -1.602,116 0.867,117 3.673,118 5.231,119 1.131,120 3.258,121 3.258,122 25,123 3.932,124 4.041,125 3.79,126 -0.174,127 3.149,128 5.609,129 136,130 0.161,131 26.449,132 3.645,133 38,134 13.765,135 3.72,136 8.423,137 4}
{0 CHEMBL2018265,1 3.8,2 11.638,3 4.969,4 3.34,5 3.133,6 0.12,7 3.114,8 8.789,9 3.603,10 3.216,11 3.38,12 3.078,13 3.443,14 2.974,15 2.974,16 4.894,17 3.253,18 2.898,19 4.008,20 4.203,21 0.164,22 3.357,23 0.644,24 0.546,25 1,26 27.98,27 0.724,28 175.641,29 3.049,30 0.224,31 2.734,32 13.047,33 0.262,34 -0.526,35 -0.526,36 6.639,37 0.839,38 2.799,39 3.959,40 0.074,41 24.266,42 2.957,43 1.141,44 3.136,45 686,46 13.551,47 16.188,48 12.26,49 12.26,50 12.26,51 12.26,52 12.26,53 9.826,54 4.16,55 3.54,56 -0.872,57 9.113,58 2.286,59 0.177,60 6.991,61 8.299,62 -0.141,63 -0.141,64 36.735,65 -0.31,66 -0.31,67 3.188,68 15.662,69 15.662,70 15.662,71 15.662,72 15.662,73 16.701,74 2.844,75 15.371,76 6.826,77 -0.238,78 -0.238,79 2,80 0.245,81 2.733,82 6.45,83 6.69,84 2.145,85 2.661,87 4.462,88 5.456,89 8.344,90 2.971,91 0.87,92 1,93 4.281,94 33,95 5.359,96 10.152,97 12.332,98 102.746,99 5.007,100 5.143,101 4.344,102 2.235,103 2.235,104 0.564,105 4.143,106 0.804,107 3.876,108 3.876,109 2.933,110 156.213,111 9.917,112 0.721,113 6.723,114 -1.664,115 -1.664,116 0.859,117 3.65,118 5.231,119 1.131,120 3.258,121 3.258,122 25,123 3.932,124 3.966,125 3.798,126 -0.124,127 3.145,128 5.617,129 137,130 0.161,131 25.529,132 3.583,133 38,134 13.009,135 3.725,136 8.469,137 4.722}
{0 CHEMBL2018266,1 3.817,2 11.609,3 5.178,4 3.343,5 3.135,6 0.096,7 3.101,8 8.883,9 3.414,10 3.22,11 3.377,12 3.078,13 3.444,14 2.275,15 2.275,16 5.016,17 3.25,18 2.854,19 4.012,20 4.725,21 0.164,22 3.294,23 0.586,24 0.592,25 1,26 39.633,27 0.763,28 174.212,29 3.057,30 0.237,31 2.715,32 13.071,33 0.284,34 -0.519,35 -0.519,36 6.456,37 0.839,38 2.779,39 3.951,40 0.091,41 19.695,42 2.925,43 1.141,44 3.229,45 704,46 13.527,47 16.147,48 12.265,49 12.265,50 12.265,51 12.265,52 12.265,53 9.826,54 4.164,55 3.521,56 -0.878,57 9.133,58 2.286,59 0.177,60 6.991,61 8.281,62 -0.139,63 -0.139,64 36.743,65 -0.305,66 -0.305,67 3.187,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.669,75 15.21,76 6.826,77 -0.235,78 -0.235,79 2,80 0.245,81 2.735,82 6.442,83 6.684,84 2.145,85 2.5,87 4.458,88 5.456,89 8.227,90 2.971,91 0.87,92 1,93 4.281,94 32,95 5.352,96 10.129,97 12.327,98 102.349,99 5.006,100 5.002,101 4.331,102 2.248,103 2.248,104 0.564,105 4.159,106 0.821,107 4.833,108 4.833,109 2.933,110 156.213,111 9.888,112 0.725,113 6.715,114 -1.67,115 -1.67,116 0.883,117 3.675,118 5.231,119 1.131,120 3.258,121 3.258,122 25,123 3.932,124 3.961,125 3.798,126 -0.123,127 3.158,128 5.609,129 136,130 0.161,131 25.529,132 3.587,133 38,134 13.009,135 3.725,136 8.45,137 4.938}
{0 CHEMBL2018271,1 3.937,2 11.715,3 5.432,4 3.386,5 3.187,6 0.129,7 3.178,8 9.296,9 3.778,10 3.321,11 3.5,12 3.142,13 3.533,14 3.022,15 3.022,16 5.372,17 3.357,18 2.933,19 4.164,20 4.731,21 0.152,22 3.428,23 0.59,24 0.578,25 1,26 51.802,27 0.733,28 195.995,29 3.165,30 0.279,31 2.749,32 14.009,33 0.306,34 -0.423,35 -0.423,36 7.039,37 0.885,38 2.799,39 3.994,40 0.132,41 23.048,42 2.971,43 1.21,44 3.418,45 907,46 14.482,47 17.348,48 13.25,49 13.25,50 13.25,51 13.25,52 13.25,53 11.359,54 4.308,55 3.636,56 -0.666,57 9.709,58 2.518,59 0.164,60 7.702,61 8.375,62 0.451,63 0.451,64 39.967,65 0.733,66 0.733,67 3.266,68 16.817,69 16.817,70 16.817,71 16.817,72 16.817,73 17.8,74 2.926,75 16.053,76 7.217,77 -0.192,78 -0.192,79 2.145,80 0.237,81 2.746,82 6.825,83 7.066,84 2.282,85 2.665,87 4.544,88 6.114,89 8.858,90 3.16,91 0.832,92 1,93 4.327,94 36,95 5.68,96 10.909,97 13.136,98 112.486,99 5.12,100 5.121,101 4.466,102 2.316,103 2.316,104 0.557,105 4.234,106 0.839,107 4.841,108 4.841,109 3.103,110 141.253,111 9.99,112 1,113 6.804,114 -1.318,115 -1.318,116 0.883,117 3.736,118 5.313,119 1.19,120 3.332,121 3.332,122 27,123 4.007,124 4.001,125 3.861,126 0.385,127 3.269,128 5.694,129 148,130 0.149,131 26.744,132 3.672,133 40,134 13.895,135 3.79,136 9.164,137 4.527}
{0 CHEMBL2018360,1 4.872,2 12.394,3 6.276,4 10.866,5 4.1,6 0.324,7 4.045,8 37.717,9 4.788,10 4.066,11 4.111,12 4.023,13 4.169,14 4.923,15 4.923,16 7.995,17 4.107,18 3.177,19 4.971,20 5.121,21 0.121,22 4.235,23 1.785,24 1.987,25 0.67,26 94.419,27 1.831,28 296.082,29 3.965,30 0.913,31 3.015,32 18.3,33 0.786,34 1.108,35 1.108,36 9.957,37 1.133,38 3.054,39 5.046,40 0.215,41 82.047,42 3.259,43 1.418,44 4.303,45 1620,46 18.845,47 21.307,48 16.704,49 16.704,50 16.704,51 16.704,52 16.704,53 12.866,54 5.193,55 4.149,56 0.232,57 14.284,58 3.3,59 0.135,60 9.44,61 8.825,62 1.055,63 1.055,64 52.258,65 2.518,66 2.518,67 3.473,68 20.289,69 20.289,70 20.289,71 20.289,72 20.289,73 21.789,74 3.234,75 33.575,76 10.595,77 0.527,78 0.527,79 2.723,80 0.214,81 3.037,82 9.263,83 9.633,84 2.991,85 2.941,86 4.852,87 5.292,88 7.942,89 11.584,90 3.339,91 1.937,92 1,93 4.872,94 54,95 7.608,96 13.321,97 17.706,98 161.235,99 5.231,100 6.108,101 5.464,102 2.669,103 2.669,104 1.034,105 4.779,106 0.945,107 6.1,108 6.1,109 3.259,110 303.845,111 10.521,112 1.414,113 7.174,114 0.429,115 0.429,116 1.009,117 11.233,118 5.609,119 1.466,120 3.555,121 3.555,122 34,123 4.234,124 9.997,125 4.213,126 0.936,127 3.603,128 6.014,129 204,130 0.126,131 35.012,132 4.194,133 56,134 18.126,135 4.1,136 11.999,137 7.602}
{0 CHEMBL2018409,1 3.848,2 11.612,3 4.976,4 3.654,5 3.288,6 0.105,7 3.189,8 9.119,9 3.505,10 3.303,11 3.465,12 3.179,13 3.555,14 2.659,15 2.659,16 4.905,17 3.408,18 2.923,19 4.092,20 4.641,21 0.164,22 3.312,23 0.688,24 0.55,25 1,26 19.352,27 0.748,28 174.754,29 3.117,30 0.279,31 2.747,32 12.962,33 0.243,34 -1.242,35 -1.242,36 6.661,37 0.84,38 2.781,39 4.207,40 0.116,41 25.159,42 2.967,43 1.214,44 3.171,45 714,46 13.527,47 16.085,48 12.282,49 12.282,50 12.282,51 12.282,52 12.282,53 10.46,54 4.28,55 3.606,56 -0.668,57 9.139,58 2.359,59 0.177,60 7.324,61 8.283,62 -0.067,63 -0.067,64 36.579,65 -0.162,66 -0.162,67 3.187,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.7,75 16.121,76 7.683,77 -0.514,78 -0.514,79 1.886,80 0.245,81 2.746,82 6.685,83 7.021,84 2.265,85 2.646,87 4.581,88 5.654,89 8.137,90 3.147,91 0.834,92 1,93 4.372,94 32,95 5.611,96 10.248,97 12.601,98 102.279,99 4.979,100 5.095,101 4.304,102 2.184,103 2.184,104 0.534,105 4.143,106 0.807,107 4.661,108 4.661,109 3.076,110 176.567,111 9.893,112 0.708,113 6.715,114 -1.264,115 -1.264,116 0.883,117 5.532,118 5.231,119 1.189,120 3.258,121 3.258,122 25,123 3.932,124 5.469,125 3.865,126 -0.064,127 3.13,128 5.609,129 136,130 0.161,131 27.352,132 3.703,133 41,134 13.631,135 3.78,136 8.441,137 4}
{0 CHEMBL2018413,1 3.783,2 11.667,3 4.971,4 3.345,5 3.217,6 0.111,7 3.177,8 7.216,9 3.791,10 3.229,11 3.385,12 3.129,13 3.436,14 2.958,15 2.958,16 4.928,17 3.263,18 2.921,19 3.923,20 4.645,21 0.158,22 3.442,23 0.619,24 0.53,25 1,26 26.455,27 0.654,28 184.523,29 3.076,30 0.278,31 2.74,32 13.377,33 0.284,34 -0.944,35 -0.944,36 6.769,37 0.821,38 2.777,39 4.058,40 0.131,41 43.658,42 2.967,43 1.131,44 3.167,45 818,46 13.559,47 16.299,48 12.805,49 12.805,50 12.805,51 12.805,52 12.805,53 11.178,54 4.074,55 3.585,56 -0.621,57 9.281,58 2.359,59 0.17,60 7.446,61 8.344,62 -0.063,63 -0.063,64 38.712,65 -0.153,66 -0.153,67 3.227,68 15.947,69 15.947,70 15.947,71 15.947,72 15.947,73 17.107,74 2.937,75 15.632,76 7.05,77 -0.397,78 -0.397,79 2,80 0.242,81 2.735,82 6.727,83 6.995,84 2.249,85 2.657,87 4.463,88 5.634,89 8.503,90 3.047,91 0.826,92 1,93 4.297,94 34,95 5.61,96 10.528,97 12.891,98 109.322,99 5.062,100 5.214,101 4.331,102 2.351,103 2.351,104 0.543,105 4.174,106 0.814,107 4.67,108 4.67,109 2.993,110 141.253,111 9.955,112 1,113 6.774,114 -1.242,115 -1.242,116 0.883,117 2.927,118 5.283,119 1.13,120 3.296,121 3.296,122 26,123 3.97,124 4.33,125 3.83,126 -0.06,127 3.328,128 5.659,129 143,130 0.155,131 26.29,132 3.645,133 39,134 13.487,135 3.752,136 8.802,137 4.592}
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{0 CHEMBL2151925,1 4.358,2 11.65,3 5.512,4 5.057,5 3.485,6 0.162,7 3.452,8 19.366,9 4.039,10 3.579,11 3.655,12 3.354,13 3.697,14 3.521,15 3.521,16 5.494,17 3.605,18 2.99,19 4.549,20 4.522,21 0.144,22 3.547,23 0.893,24 0.814,25 1,26 66.361,27 0.98,28 197.538,29 3.325,30 0.446,31 2.805,32 14.056,33 0.29,34 -0.965,35 -0.965,36 7.093,37 0.859,38 2.866,39 4.697,40 0.116,41 115.257,42 3.056,43 1.182,44 3.391,45 920,46 15.073,47 17.039,48 13.355,49 13.355,50 13.355,51 13.355,52 13.355,53 10.551,54 4.759,55 3.724,56 -0.51,57 10.945,58 2.526,59 0.158,60 6.994,61 8.377,62 -0.112,63 -0.112,64 39.68,65 -0.306,66 -0.306,67 3.266,68 16.602,69 16.602,70 16.602,71 16.602,72 16.602,73 17.8,74 2.888,75 19.954,76 8.126,77 -0.378,78 -0.378,79 2.195,80 0.237,81 2.789,82 7.677,83 7.831,84 2.374,85 2.82,86 1.948,87 4.827,88 5.237,89 8.572,90 3.206,91 1.114,92 1,93 4.621,94 36,95 6.302,96 11.319,97 13.821,98 110.838,99 5.061,100 5.837,101 4.317,102 2.336,103 2.336,104 0.727,105 4.248,106 0.72,107 4.65,108 4.65,109 3.111,110 215.069,111 9.993,112 0.946,113 6.804,114 -1.048,115 -1.048,116 0.777,117 7.718,118 5.313,119 1.17,120 3.332,121 3.332,122 27,123 4.007,124 5.514,125 4.019,126 -0.106,127 3.302,128 5.68,129 146,130 0.144,131 28.415,132 3.787,133 46,134 13.842,135 3.9,136 9.301,137 7.201}
{0 CHEMBL2151926,1 4.257,2 11.65,3 5.515,4 4.712,5 3.446,6 0.162,7 3.413,8 18.225,9 4.039,10 3.549,11 3.617,12 3.292,13 3.65,14 3.521,15 3.521,16 5.494,17 3.559,18 2.944,19 4.466,20 4.522,21 0.144,22 3.594,23 0.821,24 0.726,25 1,26 73.4,27 0.904,28 197.538,29 3.286,30 0.446,31 2.759,32 14.308,33 0.29,34 -0.965,35 -0.965,36 7.093,37 0.824,38 2.871,39 4.627,40 0.116,41 113.549,42 2.992,43 1.146,44 3.525,45 920,46 15.073,47 17.156,48 13.355,49 13.355,50 13.355,51 13.355,52 13.355,53 10.959,54 4.65,55 3.671,56 -0.51,57 10.945,58 2.526,59 0.158,60 7.262,61 8.377,62 -0.112,63 -0.112,64 39.808,65 -0.306,66 -0.306,67 3.266,68 16.602,69 16.602,70 16.602,71 16.602,72 16.602,73 17.8,74 2.888,75 19.85,76 7.269,77 -0.378,78 -0.378,79 2.195,80 0.237,81 2.775,82 7.432,83 7.55,84 2.374,85 2.82,86 1.93,87 4.725,88 5.403,89 8.572,90 3.076,91 1.036,92 1,93 4.543,94 36,95 6.05,96 11.033,97 13.655,98 110.838,99 5.045,100 5.783,101 4.317,102 2.336,103 2.336,104 0.679,105 4.248,106 0.72,107 4.65,108 4.65,109 3.018,110 179.756,111 9.993,112 0.946,113 6.804,114 -1.048,115 -1.048,116 0.775,117 7.143,118 5.313,119 1.109,120 3.332,121 3.332,122 27,123 4.007,124 5.623,125 3.955,126 -0.095,127 3.293,128 5.68,129 146,130 0.144,131 27.512,132 3.726,133 43,134 13.976,135 3.847,136 9.286,137 6.863}
{0 CHEMBL2151927,1 4.384,2 11.695,3 5.627,4 5.035,5 3.511,6 0.162,7 3.488,8 19.335,9 4.204,10 3.618,11 3.713,12 3.379,13 3.742,14 3.835,15 3.835,16 5.756,17 3.639,18 3.001,19 4.593,20 4.522,21 0.139,22 3.614,23 0.906,24 0.811,25 1,26 81.575,27 1.011,28 208.278,29 3.369,30 0.487,31 2.811,32 14.675,33 0.29,34 -0.468,35 -0.468,36 7.516,37 0.861,38 2.871,39 4.762,40 0.14,41 112.335,42 3.066,43 1.187,44 3.464,45 1004,46 15.996,47 18.083,48 13.793,49 13.793,50 13.793,51 13.793,52 13.793,53 10.72,54 4.794,55 3.762,56 -0.501,57 11.372,58 2.579,59 0.152,60 7.207,61 8.408,62 0.15,63 0.15,64 40.822,65 0.328,66 0.328,67 3.304,68 17.472,69 17.472,70 17.472,71 17.472,72 17.472,73 18.493,74 2.888,75 20.296,76 8.293,77 -0.186,78 -0.186,79 2.226,80 0.233,81 2.792,82 7.774,83 7.902,84 2.511,85 2.882,86 1.935,87 4.895,88 5.52,89 8.86,90 3.206,91 1.096,92 1,93 4.643,94 38,95 6.376,96 11.705,97 14.065,98 113.789,99 5.12,100 5.86,101 4.357,102 2.346,103 2.346,104 0.728,105 4.29,106 0.724,107 4.653,108 4.653,109 3.111,110 215.069,111 10.026,112 0.946,113 6.832,114 -1.001,115 -1.001,116 0.79,117 8.288,118 5.342,119 1.172,120 3.367,121 3.367,122 28,123 4.043,124 5.759,125 4.044,126 0.136,127 3.305,128 5.714,129 151,130 0.139,131 28.87,132 3.805,133 47,134 14.25,135 3.933,136 9.663,137 6.83}
{0 CHEMBL2151928,1 4.478,2 11.805,3 5.708,4 5.578,5 3.593,6 0.162,7 3.578,8 21.724,9 4.335,10 3.717,11 3.795,12 3.455,13 3.803,14 4.191,15 4.191,16 6.184,17 3.725,18 3.024,19 4.696,20 4.842,21 0.133,22 3.739,23 0.99,24 0.881,25 0.83,26 96.531,27 1.162,28 231.353,29 3.457,30 0.608,31 2.822,32 15.566,33 0.321,34 0.207,35 0.207,36 7.978,37 0.909,38 2.872,39 4.813,40 0.174,41 151.385,42 3.087,43 1.218,44 3.56,45 1214,46 17.111,47 19.273,48 14.76,49 14.76,50 14.76,51 14.76,52 14.76,53 11.591,54 4.892,55 3.842,56 -0.214,57 12.131,58 2.65,59 0.145,60 7.617,61 8.491,62 0.311,63 0.311,64 43.812,65 0.613,66 0.613,67 3.374,68 18.679,69 18.679,70 18.679,71 18.679,72 18.679,73 19.592,74 3.173,75 22.253,76 8.71,77 0.119,78 0.119,79 2.504,80 0.226,81 2.804,82 8.212,83 8.342,84 2.57,85 2.888,86 1.906,87 4.888,88 5.841,89 9.606,90 3.206,91 1.143,92 1,93 4.675,94 42,95 6.734,96 12.548,97 14.958,98 123.353,99 5.202,100 6.061,101 4.443,102 2.383,103 2.383,104 0.756,105 4.369,106 0.856,107 5.141,108 5.141,109 3.111,110 215.069,111 10.117,112 1.081,113 6.911,114 -0.476,115 -0.476,116 0.916,117 8.575,118 5.416,119 1.205,120 3.434,121 3.434,122 30,123 4.111,124 6.101,125 4.082,126 0.273,127 3.34,128 5.79,129 163,130 0.133,131 30.324,132 3.853,133 49,134 15.159,135 3.977,136 10.442,137 5.333}
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{0 CHEMBL2152132,1 3.935,2 11.786,3 5.18,4 4.205,5 3.289,6 0.096,7 3.224,8 13.04,9 3.815,10 3.371,11 3.484,12 3.085,13 3.523,14 2.758,15 2.758,16 4.519,17 3.417,18 2.738,19 4.2,20 4.37,21 0.205,22 3.562,23 0.638,24 0.517,25 1,26 62.254,27 0.749,28 169.42,29 3.016,30 0.527,31 2.536,32 11.959,33 0.359,34 -2.605,35 -2.605,36 5.905,37 0.637,38 2.731,39 4.348,41 81.386,42 2.824,43 0.975,44 3.464,45 592,46 12.028,47 14.358,48 11.222,49 11.222,50 11.222,51 11.222,52 11.222,53 11.862,54 4.38,55 3.619,56 -1.28,57 8.236,58 2.12,59 0.211,60 7.152,61 8.395,62 -0.794,63 -0.794,64 34.737,65 -2.434,66 -2.434,67 3.147,68 13.911,69 13.911,70 13.911,71 13.911,72 13.911,73 13.929,74 2.658,75 14.973,76 6.21,77 -0.846,78 -0.846,79 2,80 0.268,81 2.544,82 5.649,83 5.961,84 2,85 2.578,87 4.487,88 5.167,89 7.689,90 2.989,91 0.794,92 1,93 4.252,94 36,95 4.706,96 8.757,97 11.509,98 106.33,99 4.932,100 5.586,101 4.159,102 2.238,103 2.238,104 0.563,105 4.143,106 0.527,107 4.056,108 4.056,109 2.917,110 82.398,111 10.072,112 0.252,113 6.76,114 -3,115 -3,116 0.594,117 5.309,118 5.209,119 1.008,120 3.178,121 3.178,122 23,123 3.85,124 4.811,125 3.761,126 -0.753,127 3.154,128 5.587,129 133,130 0.187,131 23.943,132 3.636,133 35,134 12.942,135 3.662,136 8.353,137 6.195}
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{0 CHEMBL2165006,1 4.696,2 11.958,3 5.757,4 7.645,5 4.002,6 0.282,7 3.949,8 22.462,9 4.618,10 3.988,11 3.987,12 3.961,13 4.048,14 4.963,15 4.963,16 7.335,17 4.043,18 3.146,19 4.777,20 5.001,21 0.126,22 3.959,23 1.493,24 1.385,25 1,26 31.845,27 1.533,28 267.264,29 3.9,30 0.749,31 2.91,32 17.17,33 0.5,34 1.229,35 1.229,36 9,37 1.015,38 2.985,39 4.993,40 0.161,41 40.057,42 3.228,43 1.354,44 3.892,45 1752,46 17.552,47 21.073,48 16.292,49 16.292,50 16.292,51 16.292,52 16.292,53 13.051,54 5.005,55 3.957,56 0.367,57 11.93,58 3.133,59 0.135,60 9,61 8.592,62 1,63 1,64 48.488,65 2.136,66 2.136,67 3.441,68 20.488,69 20.488,70 20.488,71 20.488,72 20.488,73 22.364,74 3.232,75 20.68,76 9.833,77 0.623,78 0.623,79 2.743,80 0.211,81 2.904,82 8.967,83 9.244,84 2.844,85 3.154,87 4.943,88 7.335,89 10.548,90 3.281,91 1.231,92 1,93 4.684,94 45,95 7.515,96 14.02,97 16.448,98 135.207,99 5.231,100 5.825,101 5.142,102 2.503,103 2.503,104 0.814,105 4.585,106 0.821,107 5.94,108 5.94,109 3.185,110 211.88,111 10.222,112 1.411,113 7.008,114 0.63,115 0.63,116 0.886,117 10.864,118 5.509,119 1.371,120 3.526,121 3.526,122 33,123 4.205,124 7.532,125 4.168,126 0.957,127 3.447,128 5.889,129 180,130 0.123,131 34.824,132 4.023,133 54,134 16.702,135 4.042,136 10.975,137 7.824}
{0 CHEMBL2165007,1 4.832,2 12.149,3 5.965,4 9.654,5 4.123,6 0.416,7 4.064,8 27.692,9 4.83,10 4.078,11 4.103,12 4.117,13 4.175,14 5.243,15 5.243,16 7.89,17 4.145,18 3.176,19 4.875,20 5.15,21 0.126,22 4.129,23 1.642,24 1.587,25 0.67,26 45.252,27 1.677,28 316.459,29 4.053,30 0.872,31 2.963,32 19.541,33 0.681,34 2.275,35 2.275,36 9.841,37 1.082,38 3.002,39 5.088,40 0.322,41 65.304,42 3.279,43 1.443,44 4.138,45 2456,46 19.198,47 23.237,48 18.233,49 18.233,50 18.233,51 18.233,52 18.233,53 17.018,54 5.1,55 4.118,56 0.706,57 13.32,58 3.414,59 0.13,60 10.357,61 8.786,62 1,63 1,64 55.499,65 2.275,66 2.275,67 3.561,68 22.408,69 22.408,70 22.408,71 22.408,72 22.408,73 24.156,74 3.445,75 25.65,76 11.25,77 1,78 1,79 2.983,80 0.203,81 2.962,82 9.721,83 10.24,84 3.17,85 3.232,87 5.121,88 8.258,89 11.895,90 3.342,91 1.396,93 4.809,94 53,95 8.132,96 14.739,97 18.88,98 162.268,99 5.327,100 5.99,101 5.303,102 2.636,103 2.636,104 0.92,105 4.682,106 0.994,107 6.373,108 6.373,109 3.282,110 235.422,111 10.43,112 1.643,113 7.183,114 1.255,115 1.255,116 1.08,117 11.793,118 5.659,119 1.462,120 3.638,121 3.638,122 37,123 4.317,124 8.984,125 4.264,126 0.994,127 3.605,128 6.033,129 208,130 0.113,131 39.142,132 4.185,133 60,134 19.666,135 4.157,136 12.644,137 9}
{0 CHEMBL2165008,1 4.744,2 11.952,3 5.757,4 7.005,5 3.983,6 0.251,7 3.922,8 25.018,9 4.618,10 3.975,11 3.976,12 3.931,13 4.042,14 4.963,15 4.963,16 6.722,17 4.042,18 3.135,19 4.836,20 5.009,21 0.13,22 3.935,23 1.46,24 1.385,25 0.83,26 34.223,27 1.532,28 256.161,29 3.871,30 0.71,31 2.893,32 16.847,33 0.465,34 1.193,35 1.193,36 8.823,37 1.056,38 2.977,39 5.06,40 0.159,41 40.344,42 3.223,43 1.442,44 3.884,45 1585,46 17.596,47 20.473,48 15.792,49 15.792,50 15.792,51 15.792,52 15.792,53 12.697,54 5.077,55 3.938,56 0.319,57 12.458,58 3,59 0.139,60 8.823,61 8.558,62 0.618,63 0.618,64 47.215,65 1.372,66 1.372,67 3.408,68 19.781,69 19.781,70 19.781,71 19.781,72 19.781,73 21.671,74 3.232,75 22.883,76 10.117,77 0.618,78 0.618,79 2.714,80 0.215,81 2.884,82 9.143,83 9.397,84 2.77,85 3.14,86 2.425,87 4.985,88 6.722,89 10.298,90 3.28,91 1.305,92 1,93 4.814,94 42,95 7.624,96 13.417,97 16.452,98 132.625,99 5.19,100 5.803,101 5.106,102 2.509,103 2.509,104 0.864,105 4.522,106 0.939,107 5.96,108 5.96,109 3.181,110 247.193,111 10.185,112 1.133,113 6.978,114 0.564,115 0.564,116 1.019,117 11.862,118 5.485,119 1.46,120 3.497,121 3.497,122 32,123 4.174,124 7.233,125 4.221,126 0.6,127 3.434,128 5.866,129 176,130 0.127,131 34.591,132 4.014,133 56,134 16.591,135 4.082,136 10.654,137 7.222}
{0 CHEMBL2165009,1 4.824,2 11.958,3 5.813,4 7.698,5 4.053,6 0.282,7 3.986,8 27.758,9 4.618,10 4.027,11 4.024,12 4.004,13 4.105,14 4.963,15 4.963,16 7.335,17 4.099,18 3.162,19 4.893,20 5.001,21 0.126,22 3.986,23 1.558,24 1.482,25 0.83,26 37.535,27 1.609,28 267.264,29 3.935,30 0.749,31 2.91,32 17.347,33 0.5,34 1.229,35 1.229,36 9,37 1.064,38 2.988,39 5.119,40 0.161,41 41.485,42 3.267,43 1.422,44 3.932,45 1752,46 18.303,47 21.181,48 16.292,49 16.292,50 16.292,51 16.292,52 16.292,53 13.051,54 5.139,55 4.009,56 0.356,57 12.958,58 3.133,59 0.135,60 9,61 8.592,62 1,63 1,64 48.502,65 2.136,66 2.136,67 3.441,68 20.488,69 20.488,70 20.488,71 20.488,72 20.488,73 22.364,74 3.232,75 24.884,76 10.617,77 0.623,78 0.623,79 2.743,80 0.211,81 2.941,82 9.633,83 9.897,84 2.844,85 3.139,86 2.456,87 5.098,88 7.335,89 10.548,90 3.289,91 1.367,92 1,93 4.871,94 45,95 8.041,96 13.917,97 17.119,98 135.207,99 5.219,100 5.856,101 5.142,102 2.503,103 2.503,104 0.902,105 4.585,106 1.018,107 5.94,108 5.94,109 3.206,110 270.735,111 10.222,112 1.377,113 7.008,114 0.63,115 0.63,116 1.118,117 12.971,118 5.509,119 1.432,120 3.526,121 3.526,122 33,123 4.205,124 7.879,125 4.27,126 0.957,127 3.428,128 5.889,129 180,130 0.123,131 36.353,132 4.102,133 59,134 17.298,135 4.13,136 11.033,137 7.721}
{0 CHEMBL2165010,1 4.767,2 11.958,3 5.793,4 7.096,5 4.003,6 0.282,7 3.954,8 25.154,9 4.618,10 4.002,11 4.007,12 3.949,13 4.076,14 4.963,15 4.963,16 7.335,17 4.058,18 3.141,19 4.857,20 5.001,21 0.126,22 3.994,23 1.48,24 1.397,25 0.83,26 34.034,27 1.544,28 267.264,29 3.9,30 0.749,31 2.91,32 17.57,33 0.5,34 1.229,35 1.229,36 9,37 1.064,38 2.983,39 5.096,40 0.161,41 45.313,42 3.223,43 1.376,44 3.937,45 1752,46 18.303,47 21.34,48 16.292,49 16.292,50 16.292,51 16.292,52 16.292,53 13.051,54 5.092,55 3.986,56 0.356,57 12.958,58 3.133,59 0.135,60 9,61 8.592,62 1,63 1,64 48.475,65 2.136,66 2.136,67 3.441,68 20.488,69 20.488,70 20.488,71 20.488,72 20.488,73 22.364,74 3.232,75 23.597,76 10.283,77 0.623,78 0.623,79 2.743,80 0.211,81 2.941,82 9.193,83 9.435,84 2.844,85 3.139,86 2.331,87 5.088,88 7.335,89 10.548,90 3.28,91 1.281,92 1,93 4.833,94 45,95 7.622,96 13.772,97 16.658,98 135.207,99 5.235,100 5.871,101 5.142,102 2.503,103 2.503,104 0.864,105 4.585,106 0.995,107 5.94,108 5.94,109 3.182,110 247.193,111 10.222,112 1.206,113 7.008,114 0.63,115 0.63,116 1.086,117 11.945,118 5.509,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 7.358,125 4.242,126 0.946,127 3.423,128 5.889,129 180,130 0.123,131 35.046,132 4.065,133 57,134 16.999,135 4.11,136 11.013,137 7.745}
{0 CHEMBL2165011,1 4.851,2 12.002,3 5.918,4 7.771,5 4.067,6 0.357,7 4.01,8 28.196,9 4.783,10 4.043,11 4.041,12 4.021,13 4.12,14 5.209,15 5.209,16 7.626,17 4.108,18 3.165,19 4.909,20 5.108,21 0.122,22 4.033,23 1.569,24 1.494,25 0.83,26 47.814,27 1.612,28 279.306,29 3.965,30 0.831,31 2.912,32 17.891,33 0.556,34 1.274,35 1.274,36 9.142,37 1.064,38 2.99,39 5.143,40 0.185,41 45.665,42 3.27,43 1.43,44 3.991,45 1928,46 18.75,47 21.669,48 16.758,49 16.758,50 16.758,51 16.758,52 16.758,53 13.673,54 5.147,55 4.038,56 0.408,57 13.424,58 3.158,59 0.131,60 9.142,61 8.639,62 1,63 1,64 50.162,65 2.275,66 2.275,67 3.472,68 20.936,69 20.936,70 20.936,71 20.936,72 20.936,73 22.77,74 3.232,75 26.189,76 10.65,77 0.628,78 0.628,79 2.747,80 0.21,81 2.941,82 9.7,83 9.954,84 2.923,85 3.165,86 2.307,87 5.142,88 7.626,89 10.959,90 3.292,91 1.375,92 1,93 4.881,94 47,95 8.052,96 14.24,97 17.553,98 141.58,99 5.281,100 5.919,101 5.209,102 2.538,103 2.538,104 0.909,105 4.625,106 1.019,107 6.221,108 6.221,109 3.218,110 258.964,111 10.27,112 1.626,113 7.052,114 0.735,115 0.735,116 1.117,117 13.133,118 5.549,119 1.431,120 3.555,121 3.555,122 34,123 4.234,124 8.012,125 4.29,126 0.957,127 3.47,128 5.927,129 187,130 0.119,131 36.807,132 4.126,133 60,134 17.616,135 4.156,136 11.41,137 7.201}
{0 CHEMBL2165012,1 4.866,2 12.032,3 5.924,4 7.823,5 4.064,6 0.281,7 4.009,8 28.854,9 4.721,10 4.044,11 4.045,12 4.023,13 4.117,14 5.082,15 5.082,16 7.295,17 4.111,18 3.17,19 4.928,20 5.135,21 0.122,22 4.032,23 1.56,24 1.502,25 0.83,26 50.181,27 1.62,28 279.56,29 3.967,30 0.766,31 2.925,32 17.79,33 0.49,34 1.214,35 1.214,36 9.34,37 1.061,38 2.992,39 5.124,40 0.245,41 43.873,42 3.276,43 1.442,44 3.991,45 1930,46 18.913,47 21.803,48 16.702,49 16.702,50 16.702,51 16.702,52 16.702,53 13.5,54 5.173,55 4.035,56 0.383,57 13.368,58 3.145,59 0.131,60 9.34,61 8.628,62 0.788,63 0.788,64 50.034,65 1.802,66 1.802,67 3.472,68 21.099,69 21.099,70 21.099,71 21.099,72 21.099,73 22.77,74 3.232,75 26.032,76 10.65,77 0.618,78 0.618,79 2.748,80 0.21,81 2.921,82 9.651,83 9.916,84 2.907,85 3.16,86 2.315,87 5.115,88 7.295,89 11.051,90 3.304,91 1.381,92 1,93 4.881,94 46,95 8.028,96 14.27,97 17.573,98 142.042,99 5.285,100 5.913,101 5.231,102 2.558,103 2.558,104 0.909,105 4.595,106 0.959,107 6.291,108 6.291,109 3.237,110 258.964,111 10.254,112 1.609,113 7.047,114 0.651,115 0.651,116 1.041,117 12.965,118 5.549,119 1.46,120 3.555,121 3.555,122 34,123 4.234,124 7.96,125 4.29,126 0.758,127 3.496,128 5.932,129 188,130 0.119,131 36.807,132 4.114,133 60,134 17.616,135 4.156,136 11.4,137 7.292}
{0 CHEMBL2165013,1 4.796,2 11.958,3 5.803,4 7.195,5 4.024,6 0.282,7 3.966,8 26.495,9 4.618,10 4.011,11 4.013,12 3.973,13 4.088,14 4.963,15 4.963,16 7.335,17 4.075,18 3.153,19 4.875,20 5.001,21 0.126,22 3.99,23 1.514,24 1.43,25 0.83,26 35.934,27 1.569,28 267.264,29 3.914,30 0.749,31 2.91,32 17.453,33 0.5,34 1.229,35 1.229,36 9,37 1.064,38 2.986,39 5.113,40 0.161,41 43.16,42 3.254,43 1.401,44 3.935,45 1752,46 18.303,47 21.257,48 16.292,49 16.292,50 16.292,51 16.292,52 16.292,53 13.051,54 5.118,55 3.996,56 0.356,57 12.958,58 3.133,59 0.135,60 9,61 8.592,62 1,63 1,64 48.485,65 2.136,66 2.136,67 3.441,68 20.488,69 20.488,70 20.488,71 20.488,72 20.488,73 22.364,74 3.232,75 23.743,76 10.367,77 0.623,78 0.623,79 2.743,80 0.211,81 2.941,82 9.333,83 9.58,84 2.844,85 3.139,86 2.394,87 5.097,88 7.335,89 10.548,90 3.283,91 1.337,92 1,93 4.857,94 45,95 7.768,96 13.84,97 16.818,98 135.207,99 5.232,100 5.864,101 5.142,102 2.503,103 2.503,104 0.9,105 4.585,106 1.001,107 5.94,108 5.94,109 3.19,110 247.193,111 10.222,112 1.295,113 7.008,114 0.63,115 0.63,116 1.099,117 12.367,118 5.509,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 7.363,125 4.266,126 0.957,127 3.425,128 5.889,129 180,130 0.123,131 35.597,132 4.082,133 58,134 17.091,135 4.122,136 11.016,137 7.569}
{0 CHEMBL2165014,1 4.843,2 12.002,3 5.853,4 7.795,5 4.08,6 0.357,7 4.016,8 27.812,9 4.783,10 4.045,11 4.051,12 4.041,13 4.138,14 5.209,15 5.209,16 7.626,17 4.113,18 3.169,19 4.898,20 5.108,21 0.122,22 4.028,23 1.591,24 1.521,25 0.83,26 36.88,27 1.621,28 279.306,29 3.977,30 0.831,31 2.923,32 17.984,33 0.556,34 1.274,35 1.274,36 9.142,37 1.064,38 2.991,39 5.182,40 0.185,41 43.955,42 3.277,43 1.441,44 3.985,45 1928,46 18.75,47 21.747,48 16.758,49 16.758,50 16.758,51 16.758,52 16.758,53 13.673,54 5.136,55 4.063,56 0.408,57 13.424,58 3.158,59 0.131,60 9.142,61 8.639,62 1,63 1,64 50.166,65 2.275,66 2.275,67 3.472,68 20.936,69 20.936,70 20.936,71 20.936,72 20.936,73 22.77,74 3.232,75 25.598,76 11.317,77 0.628,78 0.628,79 2.747,80 0.21,81 2.941,82 9.621,83 9.941,84 2.923,85 3.165,86 4.765,87 5.223,88 7.626,89 10.959,90 3.317,91 1.401,92 1,93 4.922,94 47,95 8.03,96 14.199,97 17.44,98 141.58,99 5.264,100 5.897,101 5.209,102 2.538,103 2.538,104 0.939,105 4.625,106 1.039,107 6.221,108 6.221,109 3.24,110 282.506,111 10.27,112 1.625,113 7.052,114 0.735,115 0.735,116 1.139,117 13.637,118 5.549,119 1.458,120 3.555,121 3.555,122 34,123 4.234,124 8.079,125 4.312,126 0.957,127 3.463,128 5.927,129 187,130 0.119,131 37.358,132 4.169,133 61,134 18.038,135 4.168,136 11.389,137 7.469}
{0 CHEMBL2165015,1 4.885,2 12.091,3 5.961,4 8.093,5 4.13,6 0.377,7 4.075,8 27.739,9 4.827,10 4.127,11 4.147,12 4.083,13 4.219,14 5.234,15 5.234,16 7.991,17 4.205,18 3.18,19 5.044,20 5.148,21 0.112,22 4.1,23 1.672,24 1.572,25 0.67,26 41.167,27 1.772,28 313.9,29 4.042,30 0.871,31 2.959,32 19.508,33 0.618,34 2.275,35 2.275,36 9.903,37 1.083,38 3.002,39 5.284,40 0.268,41 61.94,42 3.28,43 1.444,44 4.095,45 2484,46 20.697,47 23.987,48 18.147,49 18.147,50 18.147,51 18.147,52 18.147,53 14.713,54 5.297,55 4.147,56 0.704,57 14.517,58 3.414,59 0.12,60 9.903,61 8.726,62 1,63 1,64 54.306,65 2.275,66 2.275,67 3.561,68 23.013,69 23.013,70 23.013,71 23.013,72 23.013,73 24.561,74 3.289,75 28.499,76 11.9,77 1,78 1,79 2.932,80 0.202,81 2.958,82 10.187,83 10.485,84 3.158,85 3.232,86 3.959,87 5.259,88 7.991,89 12.164,90 3.343,91 1.431,93 4.96,94 53,95 8.482,96 15.444,97 18.572,98 154.063,99 5.38,100 6.018,101 5.293,102 2.602,103 2.602,104 0.967,105 4.682,106 1.064,107 6.357,108 6.357,109 3.282,110 282.506,111 10.358,112 1.635,113 7.136,114 1.255,115 1.255,116 1.153,117 14.361,118 5.631,119 1.465,120 3.638,121 3.638,122 37,123 4.317,124 8.682,125 4.36,126 0.965,127 3.545,128 6.014,129 204,130 0.11,131 39.267,132 4.205,133 64,134 19.355,135 4.228,136 12.494,137 8.222}
{0 CHEMBL2165016,1 4.925,2 12.131,3 5.976,4 8.511,5 4.189,6 0.397,7 4.117,8 29.652,9 4.837,10 4.193,11 4.219,12 4.136,13 4.306,14 5.247,15 5.247,16 8.115,17 4.296,18 3.192,19 5.171,20 5.151,21 0.109,22 4.12,23 1.769,24 1.65,25 0.67,26 39.313,27 1.923,28 326.585,29 4.083,30 0.952,31 2.968,32 20.02,33 0.618,34 2.275,35 2.275,36 10.071,37 1.092,38 3.026,39 5.396,40 0.276,41 61.208,42 3.283,43 1.445,44 4.113,45 2658,46 21.059,47 24.25,48 18.683,49 18.683,50 18.683,51 18.683,52 18.683,53 15.431,54 5.441,55 4.207,56 0.894,57 15.089,58 3.414,59 0.117,60 10.071,61 8.767,62 1,63 1,64 56.514,65 2.275,66 2.275,67 3.588,68 23.35,69 23.35,70 23.35,71 23.35,72 23.35,73 24.967,74 3.327,75 30.612,76 12.933,77 1,78 1,79 3.121,80 0.2,81 2.964,82 10.618,83 10.995,84 3.276,85 3.232,86 5.776,87 5.332,88 8.115,89 12.51,90 3.357,91 1.537,93 5.037,94 55,95 8.879,96 15.859,97 19.328,98 161.061,99 5.401,100 6.055,101 5.313,102 2.623,103 2.623,104 1.04,105 4.7,106 1.064,107 6.368,108 6.368,109 3.293,110 317.82,111 10.4,112 1.658,113 7.175,114 1.676,115 1.676,116 1.153,117 16.319,118 5.666,119 1.466,120 3.664,121 3.664,122 38,123 4.344,124 9.389,125 4.423,126 0.965,127 3.568,128 6.047,129 211,130 0.107,131 41.58,132 4.279,133 68,134 20.394,135 4.28,136 12.882,137 8.523}
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{0 CHEMBL2165020,1 4.941,2 12.149,3 5.995,4 9.94,5 4.18,6 0.416,7 4.106,8 32.695,9 4.83,10 4.133,11 4.175,12 4.172,13 4.277,14 5.243,15 5.243,16 7.89,17 4.221,18 3.179,19 5.032,20 5.15,21 0.122,22 4.152,23 1.741,24 1.691,25 0.67,26 49.857,27 1.8,28 316.459,29 4.098,30 0.872,31 2.965,32 19.361,33 0.681,34 2.275,35 2.275,36 9.841,37 1.088,38 3.007,39 5.24,40 0.322,41 67.741,42 3.28,43 1.443,44 4.162,45 2456,46 19.868,47 23.136,48 18.233,49 18.233,50 18.233,51 18.233,52 18.233,53 17.018,54 5.278,55 4.203,56 0.703,57 14.288,58 3.414,59 0.128,60 10.357,61 8.786,62 1,63 1,64 55.43,65 2.275,66 2.275,67 3.561,68 22.408,69 22.408,70 22.408,71 22.408,72 22.408,73 24.156,74 3.345,75 30.968,76 11.95,77 1,78 1,79 2.983,80 0.203,81 2.963,82 10.373,83 10.868,84 3.17,85 3.232,86 1.541,87 5.367,88 8.258,89 11.895,90 3.346,91 1.539,93 4.975,94 53,95 8.631,96 14.656,97 19.596,98 162.268,99 5.318,100 6.038,101 5.303,102 2.636,103 2.636,104 1.011,105 4.682,106 1.064,107 6.373,108 6.373,109 3.285,110 294.278,111 10.43,112 1.639,113 7.183,114 1.255,115 1.255,116 1.153,117 14.346,118 5.659,119 1.464,120 3.638,121 3.638,122 37,123 4.317,124 9.607,125 4.356,126 0.983,127 3.605,128 6.033,129 208,130 0.115,131 40.671,132 4.305,133 65,134 20.21,135 4.235,136 12.696,137 8.398}
{0 CHEMBL2165021,1 4.168,2 11.658,3 5.157,4 4.824,5 3.452,6 0.108,7 3.395,8 14.923,9 3.593,10 3.533,11 3.599,12 3.286,13 3.647,14 2.697,15 2.697,16 5.35,17 3.582,18 2.908,19 4.413,20 4.618,21 0.164,22 3.382,23 0.85,24 0.683,25 1,26 24.464,27 0.983,28 180.628,29 3.192,30 0.363,31 2.677,32 13.181,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.757,38 2.768,39 4.491,40 0.095,41 29.804,42 3.012,43 1.154,44 3.182,45 751,46 13.397,47 16.196,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.666,55 3.595,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.53,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.561,76 7.5,77 -0.387,78 -0.387,79 2,80 0.245,81 2.672,82 6.506,83 6.705,84 2,85 2.55,87 4.603,88 5.35,89 7.968,90 3.091,91 0.908,92 1,93 4.395,94 34,95 5.463,96 10.561,97 12.001,98 102.207,99 5.01,100 5.385,101 4.394,102 2.168,103 2.168,104 0.635,105 4.263,106 0.611,107 4.963,108 4.963,109 3.006,110 141.253,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.706,117 5.739,118 5.231,119 1.149,120 3.258,121 3.258,122 25,123 3.932,124 3.94,125 3.899,126 -0.327,127 3.091,128 5.609,129 136,130 0.161,131 25.54,132 3.624,133 40,134 12.686,135 3.768,136 8.374,137 6.886}
{0 CHEMBL2165022,1 4.182,2 11.745,3 5.323,4 5.457,5 3.571,6 0.144,7 3.517,8 22.511,9 3.939,10 3.626,11 3.655,12 3.391,13 3.692,14 2.92,15 2.92,16 5.712,17 3.682,18 2.921,19 4.401,20 4.817,21 0.159,22 3.806,23 0.846,24 0.632,25 1,26 34.549,27 0.964,28 193.143,29 3.293,30 0.549,31 2.701,32 13.949,33 0.413,34 -0.891,35 -0.891,36 7.02,37 0.777,38 2.813,39 4.593,40 0.111,41 42.091,42 3.018,43 1.153,44 3.461,45 846,46 13.82,47 16.783,48 12.792,49 12.792,50 12.792,51 12.792,52 12.792,53 10.959,54 4.614,55 3.638,56 -0.56,57 9.43,58 2.382,59 0.171,60 7.239,61 8.381,62 -0.335,63 -0.335,64 38.486,65 -0.688,66 -0.688,67 3.229,68 16.058,69 16.058,70 16.058,71 16.058,72 16.058,73 17.107,74 3.145,75 15.622,76 7.56,77 -0.347,78 -0.347,79 2.099,80 0.242,81 2.693,82 6.611,83 6.845,84 2.339,85 2.55,87 4.604,88 6.011,89 8.311,90 3.089,91 0.895,92 1,93 4.396,94 36,95 5.529,96 10.659,97 12.469,98 108.926,99 5.031,100 5.583,101 4.511,102 2.222,103 2.222,104 0.625,105 4.344,106 0.637,107 5.211,108 5.211,109 3.021,110 129.482,111 10.021,112 0.957,113 6.788,114 -1.146,115 -1.146,116 0.72,117 6.179,118 5.283,119 1.145,120 3.296,121 3.296,122 26,123 3.97,124 4.729,125 3.898,126 -0.262,127 3.121,128 5.659,129 143,130 0.155,131 26.398,132 3.665,133 40,134 13.742,135 3.776,136 8.733,137 7.409}
{0 CHEMBL2165023,1 4.17,2 11.745,3 5.24,4 6.868,5 3.628,6 0.144,7 3.543,8 43.857,9 3.939,10 3.643,11 3.667,12 3.46,13 3.715,14 2.92,15 2.92,16 5.712,17 3.723,18 2.921,19 4.397,20 4.817,21 0.159,22 4.17,23 0.913,24 0.697,25 1,26 23.928,27 1.008,28 193.143,29 3.319,30 0.549,31 2.701,32 14.007,33 0.413,34 -0.891,35 -0.891,36 7.02,37 0.777,38 2.834,39 4.587,40 0.111,41 36.718,42 3.018,43 1.152,44 3.739,45 846,46 13.82,47 16.811,48 12.792,49 12.792,50 12.792,51 12.792,52 12.792,53 11.367,54 4.609,55 3.648,56 -0.56,57 9.43,58 2.382,59 0.171,60 7.459,61 8.381,62 -0.335,63 -0.335,64 38.52,65 -0.688,66 -0.688,67 3.229,68 16.058,69 16.058,70 16.058,71 16.058,72 16.058,73 17.107,74 3.145,75 17.133,76 7.56,77 -0.347,78 -0.347,79 2.099,80 0.242,81 2.693,82 6.611,83 6.864,84 2.339,85 2.55,87 4.6,88 6.311,89 8.311,90 3.086,91 0.917,92 1,93 4.393,94 36,95 5.529,96 10.398,97 12.554,98 108.926,99 5.016,100 5.514,101 4.511,102 2.222,103 2.222,104 0.632,105 4.344,106 0.638,107 5.211,108 5.211,109 3.016,110 129.482,111 10.021,112 0.957,113 6.788,114 -1.146,115 -1.146,116 0.721,117 6.318,118 5.283,119 1.145,120 3.296,121 3.296,122 26,123 3.97,124 5.346,125 3.896,126 -0.238,127 3.118,128 5.659,129 143,130 0.155,131 26.892,132 3.69,133 40,134 14.572,135 3.774,136 8.738,137 7.036}
{0 CHEMBL2165024,1 4.36,2 11.745,3 5.387,4 5.585,5 3.648,6 0.144,7 3.579,8 16.741,9 3.939,10 3.665,11 3.69,12 3.512,13 3.737,14 2.92,15 2.92,16 5.712,17 3.715,18 2.922,19 4.504,20 4.817,21 0.159,22 3.565,23 1.031,24 0.871,25 1,26 26.969,27 1.113,28 193.143,29 3.407,30 0.549,31 2.701,32 13.671,33 0.413,34 -0.891,35 -0.891,36 7.02,37 0.783,38 2.804,39 4.729,40 0.111,41 34.918,42 3.019,43 1.154,44 3.326,45 846,46 13.82,47 16.642,48 12.792,49 12.792,50 12.792,51 12.792,52 12.792,53 10.55,54 4.738,55 3.68,56 -0.56,57 9.43,58 2.382,59 0.171,60 7.02,61 8.381,62 -0.335,63 -0.335,64 38.358,65 -0.688,66 -0.688,67 3.229,68 16.058,69 16.058,70 16.058,71 16.058,72 16.058,73 17.107,74 3.145,75 15.722,76 8.417,77 -0.347,78 -0.347,79 2.099,80 0.242,81 2.694,82 6.855,83 7.126,84 2.339,85 2.55,87 4.668,88 5.712,89 8.311,90 3.238,91 0.972,92 1,93 4.486,94 36,95 5.786,96 10.965,97 12.635,98 108.926,99 5.047,100 5.547,101 4.511,102 2.222,103 2.222,104 0.674,105 4.344,106 0.707,107 5.211,108 5.211,109 3.143,110 164.795,111 10.021,112 0.957,113 6.788,114 -1.146,115 -1.146,116 0.799,117 8.207,118 5.283,119 1.146,120 3.296,121 3.296,122 26,123 3.97,124 5.371,125 3.966,126 -0.306,127 3.169,128 5.659,129 143,130 0.156,131 27.301,132 3.721,133 43,134 13.608,135 3.833,136 8.751,137 6.959}
{0 CHEMBL2165025,1 4.413,2 11.785,3 5.487,4 5.772,5 3.631,6 0.154,7 3.612,8 18.092,9 3.947,10 3.693,11 3.729,12 3.539,13 3.77,14 2.929,15 2.929,16 5.847,17 3.719,18 2.934,19 4.51,20 4.832,21 0.154,22 3.697,23 1.03,24 0.866,25 0.83,26 31.94,27 1.101,28 204.255,29 3.486,30 0.549,31 2.72,32 14.289,33 0.491,34 -0.834,35 -0.834,36 7.262,37 0.834,38 2.817,39 4.765,40 0.124,41 47.116,42 3.028,43 1.165,44 3.512,45 981,46 14.742,47 17.693,48 13.219,49 13.219,50 13.219,51 13.219,52 13.219,53 10.719,54 4.72,55 3.717,56 -0.482,57 9.853,58 2.519,59 0.165,60 7.262,61 8.41,62 0.071,63 0.071,64 39.384,65 0.128,66 0.128,67 3.267,68 16.928,69 16.928,70 16.928,71 16.928,72 16.928,73 17.8,74 3.155,75 16.061,76 8.583,77 -0.347,78 -0.347,79 2.216,80 0.237,81 2.729,82 6.953,83 7.197,84 2.382,85 2.55,87 4.78,88 5.847,89 8.734,90 3.271,91 0.955,92 1,93 4.51,94 38,95 5.855,96 11.346,97 12.879,98 111.612,99 5.106,100 5.688,101 4.635,102 2.284,103 2.284,104 0.675,105 4.382,106 0.773,107 5.244,108 5.244,109 3.165,110 164.795,111 10.05,112 0.957,113 6.817,114 -0.891,115 -0.891,116 0.853,117 7.049,118 5.313,119 1.169,120 3.332,121 3.332,122 27,123 4.007,124 4.623,125 3.993,126 0.063,127 3.202,128 5.694,129 148,130 0.15,131 27.756,132 3.742,133 44,134 14.017,135 3.868,136 9.105,137 8.155}
{0 CHEMBL2165026,1 4.431,2 11.785,3 5.648,4 5.821,5 3.673,6 0.154,7 3.635,8 17.574,9 3.947,10 3.704,11 3.727,12 3.559,13 3.762,14 2.929,15 2.929,16 5.847,17 3.736,18 2.922,19 4.539,20 4.832,21 0.154,22 3.676,23 1.053,24 0.898,25 0.83,26 43.484,27 1.126,28 204.255,29 3.498,30 0.549,31 2.701,32 14.141,33 0.491,34 -0.834,35 -0.834,36 7.262,37 0.784,38 2.811,39 4.769,40 0.124,41 44.713,42 3.019,43 1.155,44 3.548,45 981,46 14.742,47 17.533,48 13.219,49 13.219,50 13.219,51 13.219,52 13.219,53 10.719,54 4.759,55 3.718,56 -0.482,57 9.853,58 2.519,59 0.165,60 7.262,61 8.41,62 0.071,63 0.071,64 39.395,65 0.128,66 0.128,67 3.267,68 16.928,69 16.928,70 16.928,71 16.928,72 16.928,73 17.8,74 3.155,75 16.442,76 8.117,77 -0.347,78 -0.347,79 2.216,80 0.237,81 2.695,82 7.064,83 7.275,84 2.382,85 2.55,87 4.72,88 5.847,89 8.734,90 3.251,91 0.98,92 1,93 4.5,94 38,95 5.917,96 11.42,97 13.053,98 111.612,99 5.116,100 5.665,101 4.635,102 2.284,103 2.284,104 0.68,105 4.382,106 0.717,107 5.244,108 5.244,109 3.159,110 153.024,111 10.05,112 0.957,113 6.817,114 -0.891,115 -0.891,116 0.799,117 7.856,118 5.313,119 1.146,120 3.332,121 3.332,122 27,123 4.007,124 5.262,125 3.993,126 0.063,127 3.238,128 5.694,129 148,130 0.15,131 27.756,132 3.743,133 44,134 13.763,135 3.868,136 9.125,137 7.699}
{0 CHEMBL2165027,1 4.544,2 11.806,3 5.644,4 5.935,5 3.757,6 0.169,7 3.718,8 20.189,9 3.949,10 3.782,11 3.803,12 3.673,13 3.846,14 2.936,15 2.936,16 6.018,17 3.827,18 3.023,19 4.655,20 4.833,21 0.148,22 3.766,23 1.145,24 1.024,25 0.83,26 38.768,27 1.232,28 214.649,29 3.618,30 0.589,31 2.802,32 14.823,33 0.491,34 -0.538,35 -0.538,36 7.562,37 0.923,38 2.86,39 4.822,40 0.132,41 37.02,42 3.113,43 1.263,44 3.649,45 1132,46 15.449,47 18.396,48 13.757,49 13.757,50 13.757,51 13.757,52 13.757,53 11.1,54 4.893,55 3.781,56 -0.445,57 10.413,58 2.543,59 0.159,60 7.562,61 8.427,62 0.225,63 0.225,64 40.82,65 0.433,66 0.433,67 3.304,68 17.635,69 17.635,70 17.635,71 17.635,72 17.635,73 18.493,74 3.157,75 17.765,76 9.083,77 -0.296,78 -0.296,79 2.299,80 0.233,81 2.806,82 7.36,83 7.629,84 2.382,85 2.55,87 4.775,88 6.018,89 8.854,90 3.277,91 1.017,92 1,93 4.591,94 39,95 6.2,96 11.841,97 13.534,98 114.427,99 5.136,100 5.677,101 4.71,102 2.303,103 2.303,104 0.713,105 4.407,106 0.78,107 5.249,108 5.249,109 3.169,110 188.338,111 10.064,112 0.957,113 6.838,114 -0.891,115 -0.891,116 0.858,117 8.808,118 5.342,119 1.288,120 3.367,121 3.367,122 28,123 4.043,124 5.79,125 4.054,126 0.202,127 3.253,128 5.72,129 152,130 0.145,131 29.517,132 3.818,133 47,134 14.724,135 3.927,136 9.487,137 8}
{0 CHEMBL2165028,1 4.729,2 11.837,3 5.77,4 7.345,5 3.956,6 0.235,7 3.9,8 24.43,9 3.952,10 3.936,11 3.935,12 3.905,13 3.996,14 3.38,15 3.38,16 6.424,17 3.993,18 3.168,19 4.799,20 4.833,21 0.134,22 3.924,23 1.388,24 1.299,25 0.83,26 33.822,27 1.434,28 243.719,29 3.836,30 0.609,31 2.912,32 16.446,33 0.535,34 0.614,35 0.614,36 8.013,37 1.033,38 2.99,39 5.077,40 0.186,41 47.25,42 3.276,43 1.441,44 3.847,45 1671,46 17.571,47 20.604,48 15.257,49 15.257,50 15.257,51 15.257,52 15.257,53 12.161,54 5.035,55 3.906,56 0.056,57 11.913,58 2.751,59 0.144,60 8.013,61 8.472,62 0.618,63 0.618,64 44.532,65 1.15,66 1.15,67 3.408,68 19.756,69 19.756,70 19.756,71 19.756,72 19.756,73 20.572,74 3.159,75 21.836,76 10.333,77 0.343,78 0.343,79 2.434,80 0.22,81 2.905,82 8.533,83 8.813,84 2.562,85 2.74,87 5.023,88 6.424,89 9.623,90 3.306,91 1.174,92 1,93 4.775,94 42,95 7.169,96 13.261,97 15.234,98 121.903,99 5.238,100 5.851,101 4.898,102 2.311,103 2.311,104 0.825,105 4.454,106 0.944,107 5.25,108 5.25,109 3.231,110 235.422,111 10.096,112 0.995,113 6.901,114 0.094,115 0.094,116 1.037,117 11.802,118 5.425,119 1.458,120 3.466,121 3.466,122 31,123 4.143,124 7.097,125 4.213,126 0.531,127 3.265,128 5.796,129 164,130 0.131,131 34.046,132 3.967,133 55,134 16.638,135 4.076,136 10.606,137 7.523}
{0 CHEMBL2165029,1 4.751,2 11.993,3 5.782,4 7.044,5 3.917,6 0.188,7 3.895,8 25.065,9 4.47,10 3.935,11 3.97,12 3.935,13 4.034,14 4.519,15 4.519,16 7.232,17 3.973,18 3.111,19 4.79,20 4.842,21 0.13,22 3.973,23 1.401,24 1.343,25 0.83,26 36.296,27 1.438,28 258.886,29 3.886,30 0.567,31 2.91,32 17.067,33 0.564,34 1.1,35 1.1,36 8.868,37 1.05,38 2.913,39 4.987,40 0.169,41 43.117,42 3.206,43 1.376,44 3.925,45 1553,46 17.673,47 20.688,48 15.78,49 15.78,50 15.78,51 15.78,52 15.78,53 12.603,54 5.019,55 3.96,56 0.202,57 12.466,58 3.095,59 0.139,60 8.868,61 8.593,62 1,63 1,64 47.344,65 2.136,66 2.136,67 3.409,68 19.834,69 19.834,70 19.834,71 19.834,72 19.834,73 21.671,74 3.195,75 21.867,76 9.783,77 0.603,78 0.603,79 2.592,80 0.215,81 2.941,82 8.775,83 8.992,84 2.754,85 2.949,86 2.218,87 5.077,88 7.232,89 10.405,90 3.278,91 1.219,92 1,93 4.77,94 45,95 7.267,96 13.291,97 15.996,98 133.528,99 5.207,100 5.832,101 5.176,102 2.496,103 2.496,104 0.826,105 4.595,106 0.893,107 5.288,108 5.288,109 3.171,110 223.651,111 10.236,112 1.014,113 6.995,114 0.365,115 0.365,116 0.964,117 9.465,118 5.485,119 1.429,120 3.497,121 3.497,122 32,123 4.174,124 5.789,125 4.191,126 0.946,127 3.419,128 5.872,129 177,130 0.127,131 33.284,132 4.022,133 54,134 16.292,135 4.061,136 10.635,137 8.398}
{0 CHEMBL2165030,1 4.706,2 11.993,3 5.771,4 7.508,5 3.935,6 0.188,7 3.905,8 23.145,9 4.47,10 3.94,11 3.966,12 3.942,13 4.026,14 4.519,15 4.519,16 7.232,17 3.983,18 3.054,19 4.768,20 4.842,21 0.13,22 3.951,23 1.405,24 1.333,25 0.83,26 35.03,27 1.447,28 258.886,29 3.887,30 0.567,31 2.862,32 16.868,33 0.564,34 1.1,35 1.1,36 8.868,37 0.994,38 2.919,39 4.943,40 0.169,41 40.254,42 3.138,43 1.298,44 3.911,45 1553,46 17.426,47 20.571,48 15.78,49 15.78,50 15.78,51 15.78,52 15.78,53 12.603,54 4.995,55 3.951,56 0.204,57 12.084,58 3.095,59 0.14,60 8.868,61 8.593,62 1,63 1,64 47.338,65 2.136,66 2.136,67 3.409,68 19.834,69 19.834,70 19.834,71 19.834,72 19.834,73 21.671,74 3.232,75 21.644,76 9.667,77 0.603,78 0.603,79 2.592,80 0.215,81 2.879,82 8.726,83 8.965,84 2.754,85 3.041,87 5.014,88 7.232,89 10.405,90 3.278,91 1.195,92 1,93 4.714,94 45,95 7.251,96 13.389,97 15.984,98 133.528,99 5.202,100 5.802,101 5.176,102 2.496,103 2.496,104 0.8,105 4.595,106 0.902,107 5.288,108 5.288,109 3.171,110 211.88,111 10.236,112 1.037,113 6.995,114 0.365,115 0.365,116 0.969,117 9.348,118 5.485,119 1.349,120 3.497,121 3.497,122 32,123 4.174,124 6.218,125 4.159,126 0.957,127 3.426,128 5.872,129 177,130 0.127,131 33.279,132 4.01,133 53,134 16.215,135 4.036,136 10.628,137 8.699}
{0 CHEMBL2165031,1 4.856,2 12.038,3 5.824,4 7.952,5 4.012,6 0.222,7 3.973,8 28.959,9 4.618,10 3.99,11 4.016,12 4.029,13 4.099,14 4.963,15 4.963,16 7.456,17 4.038,18 3.161,19 4.823,20 5.04,21 0.126,22 4.019,23 1.523,24 1.485,25 0.83,26 36.174,27 1.528,28 271.133,29 3.964,30 0.647,31 2.91,32 17.481,33 0.604,34 1.124,35 1.124,36 9.02,37 1.064,38 2.985,39 5.066,40 0.26,41 45.367,42 3.269,43 1.436,44 3.964,45 1720,46 18.12,47 21.095,48 16.246,49 16.246,50 16.246,51 16.246,52 16.246,53 13.225,54 5.058,55 4.038,56 0.242,57 12.932,58 3.111,59 0.135,60 9.02,61 8.64,62 1,63 1,64 48.979,65 2.275,66 2.275,67 3.441,68 20.281,69 20.281,70 20.281,71 20.281,72 20.281,73 22.076,74 3.232,75 23.845,76 10.817,77 0.608,78 0.608,79 2.654,80 0.213,81 2.941,82 9.203,83 9.497,84 2.758,85 3.167,86 4.625,87 5.213,88 7.456,89 10.816,90 3.288,91 1.339,92 1,93 4.864,94 47,95 7.675,96 13.717,97 16.778,98 139.773,99 5.237,100 5.89,101 5.252,102 2.513,103 2.513,104 0.9,105 4.635,106 1.023,107 6.072,108 6.072,109 3.191,110 258.964,111 10.284,112 1.333,113 7.04,114 0.435,115 0.435,116 1.127,117 11.086,118 5.525,119 1.453,120 3.526,121 3.526,122 33,123 4.205,124 6.495,125 4.265,126 0.957,127 3.436,128 5.911,129 184,130 0.123,131 35.597,132 4.13,133 58,134 17.331,135 4.122,136 11.01,137 7.796}
{0 CHEMBL2165032,1 4.7,2 12.038,3 5.765,4 7.858,5 3.974,6 0.222,7 3.939,8 22.683,9 4.618,10 3.952,11 3.961,12 3.962,13 4.013,14 4.963,15 4.963,16 7.456,17 3.986,18 3.153,19 4.684,20 5.04,21 0.127,22 3.988,23 1.468,24 1.373,25 0.83,26 29.943,27 1.437,28 271.133,29 3.907,30 0.647,31 2.915,32 17.224,33 0.604,34 1.124,35 1.124,36 9.02,37 1.027,38 2.984,39 4.948,40 0.26,41 44.259,42 3.24,43 1.388,44 3.926,45 1720,46 17.383,47 20.932,48 16.246,49 16.246,50 16.246,51 16.246,52 16.246,53 13.225,54 4.893,55 3.958,56 0.249,57 11.901,58 3.111,59 0.136,60 9.02,61 8.64,62 1,63 1,64 48.935,65 2.275,66 2.275,67 3.441,68 20.281,69 20.281,70 20.281,71 20.281,72 20.281,73 22.076,74 3.232,75 20.75,76 10.117,77 0.608,78 0.608,79 2.654,80 0.213,81 2.913,82 8.731,83 9.042,84 2.758,85 3.192,87 4.974,88 7.456,89 10.816,90 3.28,91 1.226,92 1,93 4.675,94 47,95 7.329,96 13.858,97 16.234,98 139.773,99 5.244,100 5.863,101 5.252,102 2.513,103 2.513,104 0.824,105 4.635,106 0.833,107 6.072,108 6.072,109 3.182,110 200.109,111 10.284,112 1.39,113 7.04,114 0.435,115 0.435,116 0.911,117 9.381,118 5.525,119 1.424,120 3.526,121 3.526,122 33,123 4.205,124 6.623,125 4.159,126 0.956,127 3.444,128 5.911,129 184,130 0.124,131 34.069,132 4.01,133 53,134 16.788,135 4.031,136 10.959,137 8.155}
{0 CHEMBL2165033,1 4.6,2 12.045,3 5.692,4 6.9,5 3.908,6 0.293,7 3.876,8 19.286,9 4.618,10 3.907,11 3.915,12 3.874,13 3.952,14 4.963,15 4.963,16 7.025,17 3.939,18 3.094,19 4.659,20 5.046,21 0.131,22 3.953,23 1.389,24 1.261,25 0.83,26 22.756,27 1.387,28 260.089,29 3.832,30 0.553,31 2.871,32 16.778,33 0.695,34 1.087,35 1.087,36 8.942,37 1.032,38 2.933,39 4.975,40 0.188,41 48.881,42 3.185,43 1.433,44 3.889,45 1551,46 16.805,47 20.238,48 15.763,49 15.763,50 15.763,51 15.763,52 15.763,53 12.884,54 4.867,55 3.904,56 0.187,57 11.574,58 3.101,59 0.14,60 8.942,61 8.605,62 0.703,63 0.703,64 47.809,65 1.688,66 1.688,67 3.409,68 19.574,69 19.574,70 19.574,71 19.574,72 19.574,73 21.383,74 3.232,75 19.756,76 9.733,77 0.595,78 0.595,79 2.597,80 0.216,81 2.871,82 8.292,83 8.572,84 2.754,85 3.172,87 4.918,88 7.025,89 10.491,90 3.278,91 1.197,92 1,93 4.662,94 44,95 6.961,96 13.251,97 15.599,98 137.545,99 5.224,100 5.841,101 5.204,102 2.521,103 2.521,104 0.818,105 4.585,106 0.812,107 6.032,108 6.032,109 3.172,110 188.338,111 10.245,112 1.226,113 7.011,114 0.336,115 0.336,116 0.885,117 9.357,118 5.501,119 1.438,120 3.497,121 3.497,122 32,123 4.174,124 6.305,125 4.139,126 0.653,127 3.448,128 5.889,129 180,130 0.128,131 32.313,132 3.944,133 51,134 16.158,135 4.006,136 10.581,137 8.222}
{0 CHEMBL2165034,1 4.679,2 11.948,3 5.694,4 6.642,5 3.909,6 0.218,7 3.857,8 23.22,9 4.618,10 3.911,11 3.922,12 3.862,13 3.982,14 4.963,15 4.963,16 6.518,17 3.971,18 3.102,19 4.772,20 5.027,21 0.134,22 3.887,23 1.363,24 1.283,25 0.83,26 33.472,27 1.434,28 244.029,29 3.799,30 0.69,31 2.88,32 16.348,33 0.417,34 0.464,35 0.464,36 8.101,37 0.98,38 2.955,39 4.972,40 0.14,41 36.933,42 3.184,43 1.317,44 3.802,45 1434,46 16.888,47 19.766,48 15.292,49 15.292,50 15.292,51 15.292,52 15.292,53 12.344,54 5.016,55 3.886,57 11.958,58 2.752,59 0.144,60 8.101,61 8.612,62 0.603,63 0.603,64 45.196,65 1.117,66 1.117,67 3.375,68 19.074,69 19.074,70 19.074,71 19.074,72 19.074,73 20.978,74 3.232,75 20.795,76 9.617,77 0.222,78 0.222,79 2.574,80 0.218,81 2.871,82 8.653,83 8.897,84 2.618,85 3.141,86 2.369,87 4.913,88 6.518,89 10.048,90 3.279,91 1.201,92 1,93 4.733,94 41,95 7.208,96 12.917,97 15.785,98 128.366,99 5.16,100 5.747,101 5.03,102 2.52,103 2.52,104 0.825,105 4.5,106 0.781,107 6.007,108 6.007,109 3.175,110 223.651,111 10.25,112 0.994,113 7.015,116 0.859,117 10.576,118 5.493,119 1.333,120 3.466,121 3.466,122 31,123 4.143,124 6.543,125 4.17,126 0.519,127 3.445,128 5.844,129 172,130 0.131,131 32.83,132 3.945,133 53,134 15.884,135 4.032,136 10.274,137 7.301}
{0 CHEMBL2165035,1 4.36,2 12.043,3 5.51,4 5.918,5 3.694,6 0.175,7 3.646,8 16.94,9 4.043,10 3.727,11 3.74,12 3.503,13 3.758,14 3.357,15 3.357,16 6.584,17 3.753,18 2.961,19 4.498,20 4.97,21 0.159,22 3.649,23 1.169,24 1.043,25 1,26 35.99,27 1.314,28 218.564,29 3.437,30 0.468,31 2.76,32 14.476,33 0.343,34 0.034,35 0.034,36 8.287,37 0.887,38 2.864,39 4.673,40 0.069,41 35.826,42 3.055,43 1.187,44 3.476,45 866,46 14.272,47 17.375,48 13.821,49 13.821,50 13.821,51 13.821,52 13.821,53 10.667,54 4.716,55 3.758,56 -0.512,57 9.849,58 2.76,59 0.163,60 8.091,61 8.554,62 0.379,63 0.379,64 42.166,65 0.892,66 0.892,67 3.268,68 16.999,69 16.999,70 16.999,71 16.999,72 16.999,73 18.898,74 3.048,75 16.229,76 7.36,77 0.013,78 0.013,79 2.321,80 0.23,81 2.743,82 7.29,83 7.444,84 2.673,85 2.876,87 4.715,88 6.13,89 9.618,90 3.171,91 1.132,92 1,93 4.424,94 41,95 6.054,96 11.592,97 13.887,98 123.841,99 5.077,100 5.606,101 4.836,102 2.116,103 2.116,104 0.743,105 4.522,106 0.747,107 5.417,108 5.417,109 3.1,110 132.671,111 10.237,112 1.082,113 6.919,114 -1.023,115 -1.023,116 0.839,117 7.212,118 5.38,119 1.207,120 3.367,121 3.367,122 28,123 4.043,124 5.664,125 3.946,126 0.324,127 3.067,128 5.79,129 163,130 0.148,131 27.023,132 3.769,133 42,134 13.286,135 3.814,136 9.195,137 6.092}
{0 CHEMBL2165036,1 4.41,2 12.111,3 5.766,4 6.044,5 3.686,6 0.235,7 3.705,8 16.554,9 4.134,10 3.772,11 3.78,12 3.494,13 3.752,14 3.678,15 3.678,16 7.004,17 3.745,18 2.963,19 4.542,20 4.845,21 0.149,22 3.926,23 1.487,24 1.231,25 1,26 97.884,27 1.549,28 241.786,29 3.489,30 0.632,31 2.76,32 15.889,33 0.397,34 0.113,35 0.113,36 8.445,37 0.886,38 2.865,39 4.708,40 0.178,41 82.999,42 3.06,43 1.187,44 3.623,45 1087,46 15.363,47 18.489,48 14.854,49 14.854,50 14.854,51 14.854,52 14.854,53 10.667,54 4.742,55 3.78,56 -0.489,57 11.025,58 2.844,59 0.152,60 8.091,61 8.644,62 0.662,63 0.662,64 46.016,65 1.678,66 1.678,67 3.341,68 17.919,69 17.919,70 17.919,71 17.919,72 17.919,73 19.879,74 3.048,75 17.877,76 6.979,77 0.044,78 0.044,79 2.584,80 0.224,81 2.743,82 7.541,83 7.599,84 2.798,85 2.876,87 4.728,88 6.13,89 9.856,90 3.171,91 1.673,92 1,93 4.461,94 43,95 6.201,96 12.194,97 14.603,98 137.385,99 5.152,100 6.03,101 4.956,102 2.419,103 2.419,104 0.897,105 4.575,106 0.747,107 5.26,108 5.26,109 3.1,110 139.049,111 10.32,112 1.232,113 7.013,114 -0.978,115 -0.978,116 0.838,117 6.309,118 5.468,119 1.207,120 3.434,121 3.434,122 30,123 4.111,124 5.73,125 3.959,126 0.633,127 3.343,128 5.861,129 175,130 0.14,131 26.898,132 3.765,133 42,134 13.619,135 3.837,136 10.492,137 5}
{0 CHEMBL2165037,1 4.372,2 12.197,3 5.367,4 5.845,5 3.798,6 0.13,7 3.724,8 16.303,9 4.076,10 3.824,11 3.819,12 3.597,13 3.853,14 3.508,15 3.508,16 7.402,17 3.866,18 2.973,19 4.54,20 5.015,21 0.152,22 3.681,23 1.185,24 0.992,25 1,26 24.012,27 1.282,28 239.47,29 3.516,30 0.41,31 2.826,32 15.578,33 0.289,34 1.574,35 1.574,36 9.342,37 0.973,38 2.884,39 4.779,40 0.042,41 28.553,42 3.042,43 1.219,44 3.501,45 942,46 15.127,47 18.589,48 14.868,49 14.868,50 14.868,51 14.868,52 14.868,53 11.585,54 4.746,55 3.822,56 0.043,57 10.381,58 3.243,59 0.154,60 9.342,61 8.629,62 0.679,63 0.679,64 45.477,65 1.718,66 1.718,67 3.306,68 18.154,69 18.154,70 18.154,71 18.154,72 18.154,73 20.978,74 3.048,75 16.5,76 7.667,77 0.592,78 0.592,79 2.69,80 0.218,81 2.818,82 7.826,83 7.988,84 2.804,85 2.877,87 4.726,88 7.402,89 10.244,90 3.172,91 1.118,92 1,93 4.48,94 42,95 6.491,96 12.264,97 15.019,98 133.851,99 5.056,100 5.542,101 5.147,102 2.165,103 2.165,104 0.722,105 4.673,106 0.872,107 5.674,108 5.674,109 3.102,110 129.482,111 10.319,112 1.153,113 6.991,114 0.084,115 0.084,116 0.946,117 8.878,118 5.451,119 1.214,120 3.434,121 3.434,122 30,123 4.111,124 6.617,125 3.983,126 0.645,127 3.096,128 5.872,129 177,130 0.139,131 28.33,132 3.841,133 44,134 13.855,135 3.855,136 9.509,137 6.456}
{0 CHEMBL2165038,1 4.397,2 12.197,3 5.353,4 6.414,5 3.837,6 0.13,7 3.752,8 16.703,9 4.076,10 3.844,11 3.846,12 3.661,13 3.893,14 3.508,15 3.508,16 7.402,17 3.896,18 2.973,19 4.574,20 5.015,21 0.152,22 3.673,23 1.208,24 1.015,25 1,26 20.719,27 1.31,28 239.47,29 3.562,30 0.41,31 2.826,32 15.577,33 0.289,34 1.574,35 1.574,36 9.342,37 0.974,38 2.884,39 4.794,40 0.042,41 28.019,42 3.043,43 1.231,44 3.492,45 942,46 15.127,47 18.588,48 14.868,49 14.868,50 14.868,51 14.868,52 14.868,53 11.585,54 4.787,55 3.849,56 0.043,57 10.381,58 3.243,59 0.154,60 9.342,61 8.629,62 0.679,63 0.679,64 45.474,65 1.718,66 1.718,67 3.306,68 18.154,69 18.154,70 18.154,71 18.154,72 18.154,73 20.978,74 3.048,75 16.529,76 7.8,77 0.592,78 0.592,79 2.69,80 0.218,81 2.818,82 7.968,83 8.142,84 2.804,85 2.877,87 4.761,88 7.402,89 10.244,90 3.173,91 1.115,92 1,93 4.496,94 42,95 6.61,96 12.333,97 15.192,98 133.851,99 5.04,100 5.538,101 5.147,102 2.165,103 2.165,104 0.707,105 4.673,106 0.906,107 5.674,108 5.674,109 3.103,110 141.253,111 10.319,112 1.153,113 6.991,114 0.084,115 0.084,116 0.975,117 9.327,118 5.451,119 1.23,120 3.434,121 3.434,122 30,123 4.111,124 6.929,125 3.993,126 0.639,127 3.095,128 5.872,129 177,130 0.139,131 29.086,132 3.881,133 45,134 13.985,135 3.867,136 9.524,137 6.444}
{0 CHEMBL2165039,1 4.249,2 11.995,3 5.239,4 5.303,5 3.624,6 0.123,7 3.554,8 15.485,9 3.657,10 3.727,11 3.772,12 3.415,13 3.812,14 2.984,15 2.984,16 6.623,17 3.781,18 2.949,19 4.532,20 4.996,21 0.163,22 3.524,23 1.033,24 0.804,25 1,26 22.192,27 1.193,28 214.904,29 3.341,30 0.427,31 2.733,32 14.714,33 0.332,34 0.156,35 0.156,36 8.063,37 0.881,38 2.797,39 4.706,40 0.104,41 33.589,42 3.04,43 1.201,44 3.353,45 917,46 14.723,47 17.932,48 13.797,49 13.797,50 13.797,51 13.797,52 13.797,53 10.834,54 4.752,55 3.743,56 -0.481,57 9.913,58 2.738,59 0.165,60 8.063,61 8.499,62 0.572,63 0.572,64 41.601,65 1.013,66 1.013,67 3.268,68 17.317,69 17.317,70 17.317,71 17.317,72 17.317,73 19.186,74 2.867,75 15.499,76 8,77 0.073,78 0.073,79 2.239,80 0.228,81 2.732,82 7.291,83 7.491,84 2.577,85 2.706,87 4.684,88 6.623,89 9.345,90 3.109,91 1.021,92 1,93 4.474,94 39,95 6.091,96 11.629,97 13.703,98 119.604,99 5.044,100 5.485,101 4.875,102 2.185,103 2.185,104 0.681,105 4.533,106 0.714,107 5.661,108 5.661,109 3.037,110 153.024,111 10.167,112 1,113 6.882,114 -0.872,115 -0.872,116 0.774,117 7.615,118 5.361,119 1.203,120 3.367,121 3.367,122 28,123 4.043,124 5.4,125 3.957,126 0.494,127 3.108,128 5.765,129 159,130 0.149,131 27.54,132 3.763,133 43,134 13.686,135 3.836,136 9.129,137 7.155}
{0 CHEMBL2165040,1 4.233,2 12.127,3 5.282,4 4.831,5 3.664,6 0.081,7 3.612,8 13.297,9 3.923,10 3.692,11 3.698,12 3.466,13 3.726,14 3.33,15 3.33,16 7.052,17 3.717,18 2.888,19 4.364,20 4.314,21 0.156,22 3.608,23 1.015,24 0.885,25 1,26 21.777,27 1.092,28 225.87,29 3.403,30 0.388,31 2.743,32 15.06,33 0.23,34 1.243,35 1.243,36 9.024,37 0.866,38 2.824,39 4.546,40 0.009,41 20.427,42 2.949,43 1.186,44 3.424,45 856,46 14.704,47 18.14,48 14.368,49 14.368,50 14.368,51 14.368,52 14.368,53 10.94,54 4.566,55 3.736,56 0.039,57 9.962,58 3.132,59 0.159,60 9.024,61 8.579,62 0.67,63 0.67,64 43.728,65 1.689,66 1.689,67 3.268,68 17.706,69 17.706,70 17.706,71 17.706,72 17.706,73 20.572,74 3.048,75 14.331,76 6.75,77 0.494,78 0.494,79 2.47,80 0.22,81 2.731,82 7.458,83 7.555,84 2.773,85 2.876,87 4.629,88 7.052,89 9.977,90 3.169,91 1.052,92 1,93 4.391,94 40,95 6.171,96 11.867,97 14.393,98 127.345,99 5.022,100 5.402,101 5.081,102 2.129,103 2.129,104 0.684,105 4.605,106 0.741,107 3.826,108 3.826,109 3.098,110 105.94,111 10.264,112 1.135,113 6.944,114 0.074,115 0.074,116 0.816,117 6.313,118 5.407,119 1.205,120 3.401,121 3.401,122 29,123 4.078,124 5.119,125 3.918,126 0.64,127 3.079,128 5.832,129 170,130 0.144,131 26.568,132 3.751,133 41,134 12.932,135 3.792,136 9.129,137 5}
{0 CHEMBL2165041,1 4.075,2 11.908,3 5.129,4 4.221,5 3.476,6 0.113,7 3.423,8 12.335,9 3.608,10 3.587,11 3.646,12 3.25,13 3.683,14 2.893,15 2.893,16 6.272,17 3.622,18 2.87,19 4.36,20 4.282,21 0.168,22 3.436,23 0.877,24 0.692,25 1,26 19.761,27 1.019,28 201.697,29 3.202,30 0.405,31 2.693,32 14.197,33 0.241,34 0.145,35 0.145,36 7.745,37 0.742,38 2.777,39 4.498,40 0.075,41 26.417,42 2.938,43 1.073,44 3.263,45 812,46 14.3,47 17.482,48 13.297,49 13.297,50 13.297,51 13.297,52 13.297,53 10.189,54 4.576,55 3.654,56 -0.507,57 9.494,58 2.613,59 0.171,60 7.745,61 8.441,62 0.495,63 0.495,64 39.869,65 0.988,66 0.988,67 3.229,68 16.87,69 16.87,70 16.87,71 16.87,72 16.87,73 18.781,74 2.866,75 13.389,76 7.083,77 0.068,78 0.068,79 2.196,80 0.231,81 2.687,82 6.923,83 7.058,84 2.445,85 2.685,87 4.579,88 6.272,89 9.078,90 3.077,91 0.956,92 1,93 4.385,94 37,95 5.771,96 11.233,97 13.077,98 113.096,99 5.009,100 5.34,101 4.804,102 2.183,103 2.183,104 0.642,105 4.454,106 0.714,107 3.781,108 3.781,109 2.992,110 129.482,111 10.102,112 0.957,113 6.83,114 -0.855,115 -0.855,116 0.774,117 5.951,118 5.313,119 1.058,120 3.332,121 3.332,122 27,123 4.007,124 4.474,125 3.89,126 0.446,127 3.105,128 5.72,129 152,130 0.154,131 25.779,132 3.667,133 40,134 12.763,135 3.771,136 8.747,137 5.244}
{0 CHEMBL2165042,1 4.37,2 12.197,3 5.362,4 5.906,5 3.795,6 0.13,7 3.723,8 16.255,9 4.076,10 3.823,11 3.823,12 3.607,13 3.858,14 3.508,15 3.508,16 7.402,17 3.867,18 2.982,19 4.54,20 5.015,21 0.152,22 3.681,23 1.187,24 0.988,25 1,26 23.88,27 1.285,28 239.47,29 3.523,30 0.41,31 2.815,32 15.477,33 0.289,34 1.574,35 1.574,36 9.342,37 0.974,38 2.888,39 4.782,40 0.042,41 28.922,42 3.06,43 1.218,44 3.496,45 942,46 15.127,47 18.527,48 14.868,49 14.868,50 14.868,51 14.868,52 14.868,53 11.585,54 4.747,55 3.823,56 0.043,57 10.381,58 3.243,59 0.154,60 9.342,61 8.629,62 0.679,63 0.679,64 45.507,65 1.718,66 1.718,67 3.306,68 18.154,69 18.154,70 18.154,71 18.154,72 18.154,73 20.978,74 3.048,75 16.718,76 7.667,77 0.592,78 0.592,79 2.69,80 0.218,81 2.802,82 7.831,83 7.994,84 2.804,85 2.877,87 4.719,88 7.402,89 10.244,90 3.172,91 1.113,92 1,93 4.476,94 42,95 6.496,96 12.258,97 15.033,98 133.851,99 5.06,100 5.544,101 5.147,102 2.165,103 2.165,104 0.723,105 4.673,106 0.875,107 5.674,108 5.674,109 3.102,110 129.482,111 10.319,112 1.167,113 6.991,114 0.084,115 0.084,116 0.947,117 8.774,118 5.451,119 1.214,120 3.434,121 3.434,122 30,123 4.111,124 6.548,125 3.985,126 0.648,127 3.104,128 5.872,129 177,130 0.14,131 28.33,132 3.844,133 44,134 13.855,135 3.855,136 9.507,137 5.301}
{0 CHEMBL2165043,1 4.302,2 11.931,3 5.275,4 5.978,5 3.712,6 0.135,7 3.635,8 15.251,9 3.943,10 3.692,11 3.685,12 3.559,13 3.726,14 3.25,15 3.25,16 6.13,17 3.745,18 2.977,19 4.419,20 4.618,21 0.165,22 3.55,23 1.031,24 0.914,25 1,26 20.397,27 1.058,28 204.217,29 3.437,30 0.387,31 2.796,32 14.052,33 0.28,34 -0.891,35 -0.891,36 8.091,37 0.896,38 2.87,39 4.635,40 0.069,41 28.842,42 3.04,43 1.188,44 3.31,45 790,46 13.8,47 16.847,48 13.38,49 13.38,50 13.38,51 13.38,52 13.38,53 10.667,54 4.629,55 3.71,56 -0.52,57 9.487,58 2.596,59 0.168,60 8.091,61 8.473,62 0.044,63 0.044,64 40.425,65 0.113,66 0.113,67 3.229,68 16.447,69 16.447,70 16.447,71 16.447,72 16.447,73 18.493,74 3.048,75 14.723,76 7.35,77 -0.347,78 -0.347,79 2.305,80 0.233,81 2.78,82 7.23,83 7.409,84 2.382,85 2.875,87 4.606,88 6.13,89 8.867,90 3.096,91 0.944,92 1,93 4.401,94 37,95 6.023,96 11.279,97 13.531,98 116.456,99 5,100 5.466,101 4.771,102 2.109,103 2.109,104 0.615,105 4.443,106 0.768,107 4.963,108 4.963,109 3.048,110 141.253,111 10.138,112 1.005,113 6.855,114 -1.032,115 -1.032,116 0.811,117 7.806,118 5.333,119 1.209,120 3.332,121 3.332,122 27,123 4.007,124 6.093,125 3.916,126 0.041,127 3.041,128 5.733,129 154,130 0.151,131 27.29,132 3.735,133 42,134 13.023,135 3.799,136 8.784,137 5}
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{0 CHEMBL2165045,1 4.194,2 11.632,3 5.283,4 5.491,5 3.548,6 0.119,7 3.46,8 15.217,9 3.593,10 3.585,11 3.607,12 3.323,13 3.657,14 2.697,15 2.697,16 5.1,17 3.659,18 2.922,19 4.386,20 4.618,21 0.171,22 3.368,23 0.926,24 0.714,25 1,26 33.006,27 1.002,28 171.631,29 3.198,30 0.365,31 2.746,32 12.45,33 0.321,34 -1.138,35 -1.138,36 6.71,37 0.837,38 2.788,39 4.599,40 0.037,41 31.125,42 2.967,43 1.13,44 3.097,45 640,46 12.474,47 15.065,48 11.898,49 11.898,50 11.898,51 11.898,52 11.898,53 9.759,54 4.613,55 3.593,56 -0.759,57 8.603,58 2,59 0.184,60 6.71,61 8.289,62 -0.382,63 -0.382,64 35.445,65 -0.891,66 -0.891,67 3.147,68 14.74,69 14.74,70 14.74,71 14.74,72 14.74,73 16.008,74 2.861,75 12.916,76 6.8,77 -0.446,78 -0.446,79 2,80 0.25,81 2.745,82 6.477,83 6.655,84 2,85 2.653,87 4.586,88 5.1,89 7.469,90 3.068,91 0.883,92 1,93 4.316,94 32,95 5.423,96 10.241,97 11.909,98 99.176,99 4.968,100 5.445,101 4.317,102 2.021,103 2.021,104 0.587,105 4.22,106 0.553,107 4.963,108 4.963,109 2.983,110 129.482,111 9.925,112 1.005,113 6.698,114 -1.543,115 -1.543,116 0.621,117 7.526,118 5.198,119 1.13,120 3.219,121 3.219,122 24,123 3.892,124 5.358,125 3.855,126 -0.355,127 2.963,128 5.572,129 131,130 0.168,131 25.29,132 3.648,133 39,134 11.985,135 3.729,136 8.035,137 5.222}
{0 CHEMBL2165046,1 4.223,2 11.658,3 5.165,4 5.222,5 3.531,6 0.108,7 3.447,8 16.314,9 3.593,10 3.608,11 3.659,12 3.307,13 3.727,14 2.697,15 2.697,16 5.35,17 3.685,18 2.96,19 4.444,20 4.618,21 0.164,22 3.394,23 0.948,24 0.718,25 1,26 24.385,27 1.042,28 180.628,29 3.207,30 0.363,31 2.776,32 13.095,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.853,38 2.811,39 4.644,40 0.095,41 34.01,42 3.045,43 1.176,44 3.175,45 751,46 13.397,47 16.139,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.678,55 3.643,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.588,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.862,76 7.633,77 -0.387,78 -0.387,79 2,80 0.245,81 2.774,82 6.659,83 6.872,84 2,85 2.55,87 4.655,88 5.35,89 7.968,90 3.092,91 0.923,92 1,93 4.41,94 34,95 5.599,96 10.635,97 12.184,98 102.207,99 4.996,100 5.449,101 4.394,102 2.168,103 2.168,104 0.632,105 4.263,106 0.701,107 4.963,108 4.963,109 3.008,110 153.024,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.771,117 7.493,118 5.231,119 1.181,120 3.258,121 3.258,122 25,123 3.932,124 5.065,125 3.912,126 -0.317,127 3.093,128 5.609,129 136,130 0.161,131 26.296,132 3.692,133 41,134 12.816,135 3.783,136 8.383,137 6.509}
{0 CHEMBL2165047,1 4.162,2 11.658,3 5.147,4 4.419,5 3.438,6 0.108,7 3.38,8 15.709,9 3.593,10 3.554,11 3.621,12 3.22,13 3.674,14 2.697,15 2.697,16 5.35,17 3.61,18 2.93,19 4.407,20 4.618,21 0.164,22 3.406,23 0.877,24 0.656,25 1,26 28.234,27 0.995,28 180.628,29 3.145,30 0.363,31 2.705,32 13.188,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.75,38 2.81,39 4.58,40 0.095,41 36.311,42 3.027,43 1.16,44 3.172,45 751,46 13.397,47 16.205,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.644,55 3.614,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.564,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.588,76 7.5,77 -0.387,78 -0.387,79 2,80 0.245,81 2.671,82 6.505,83 6.705,84 2,85 2.55,87 4.631,88 5.35,89 7.968,90 3.072,91 0.908,92 1,93 4.397,94 34,95 5.465,96 10.56,97 12.001,98 102.207,99 5.01,100 5.455,101 4.394,102 2.168,103 2.168,104 0.635,105 4.263,106 0.701,107 4.963,108 4.963,109 2.984,110 141.253,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.771,117 6.385,118 5.231,119 1.149,120 3.258,121 3.258,122 25,123 3.932,124 4.283,125 3.899,126 -0.317,127 3.093,128 5.609,129 136,130 0.161,131 25.54,132 3.65,133 40,134 12.686,135 3.768,136 8.37,137 6.62}
{0 CHEMBL2165048,1 4.199,2 11.658,3 5.17,4 4.951,5 3.466,6 0.108,7 3.407,8 15.987,9 3.593,10 3.551,11 3.606,12 3.281,13 3.651,14 2.697,15 2.697,16 5.35,17 3.6,18 2.922,19 4.401,20 4.618,21 0.164,22 3.392,23 0.87,24 0.682,25 1,26 27.187,27 0.986,28 180.628,29 3.187,30 0.363,31 2.7,32 13.193,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.773,38 2.783,39 4.518,40 0.095,41 29.784,42 3.019,43 1.154,44 3.181,45 751,46 13.397,47 16.199,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.643,55 3.595,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.568,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.566,76 7.5,77 -0.387,78 -0.387,79 2,80 0.245,81 2.689,82 6.519,83 6.716,84 2,85 2.55,87 4.607,88 5.35,89 7.968,90 3.09,91 0.909,92 1,93 4.396,94 34,95 5.477,96 10.568,97 11.992,98 102.207,99 5.008,100 5.408,101 4.394,102 2.168,103 2.168,104 0.635,105 4.263,106 0.652,107 4.963,108 4.963,109 3.007,110 141.253,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.734,117 6.011,118 5.231,119 1.146,120 3.258,121 3.258,122 25,123 3.932,124 4.168,125 3.899,126 -0.317,127 3.09,128 5.609,129 136,130 0.161,131 25.54,132 3.624,133 40,134 12.686,135 3.768,136 8.373,137 6.041}
{0 CHEMBL2165049,1 4.003,2 11.658,3 5.07,4 3.717,5 3.356,6 0.108,7 3.328,8 11.357,9 3.593,10 3.494,11 3.567,12 3.172,13 3.599,14 2.697,15 2.697,16 5.35,17 3.524,18 2.92,19 4.349,20 4.618,21 0.164,22 3.391,23 0.801,24 0.605,25 0.83,26 18.564,27 0.933,28 180.628,29 3.122,30 0.363,31 2.7,32 13.294,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.768,38 2.774,39 4.558,40 0.095,41 40.466,42 3.017,43 1.152,44 3.174,45 751,46 13.397,47 16.271,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.581,55 3.563,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.548,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.307,76 7.367,77 -0.387,78 -0.387,79 2,80 0.245,81 2.688,82 6.362,83 6.548,84 2,85 2.55,87 4.571,88 5.35,89 7.968,90 3.054,91 0.885,92 1,93 4.384,94 34,95 5.346,96 10.497,97 11.808,98 102.207,99 5.021,100 5.431,101 4.394,102 2.168,103 2.168,104 0.632,105 4.263,106 0.613,107 4.963,108 4.963,109 2.96,110 129.482,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.703,117 5.144,118 5.231,119 1.145,120 3.258,121 3.258,122 25,123 3.932,124 3.255,125 3.886,126 -0.317,127 3.092,128 5.609,129 136,130 0.161,131 24.784,132 3.58,133 39,134 12.556,135 3.754,136 8.358,137 7.208}
{0 CHEMBL2165050,1 4.112,2 11.658,3 5.132,4 4.346,5 3.393,6 0.108,7 3.356,8 13.862,9 3.593,10 3.49,11 3.551,12 3.232,13 3.574,14 2.697,15 2.697,16 5.35,17 3.514,18 2.9,19 4.34,20 4.618,21 0.164,22 3.389,23 0.803,24 0.636,25 0.83,26 24.344,27 0.92,28 180.628,29 3.154,30 0.363,31 2.676,32 13.299,33 0.323,34 -0.9,35 -0.9,36 6.812,37 0.756,38 2.765,39 4.463,40 0.095,41 31.588,42 3.002,43 1.141,44 3.182,45 751,46 13.397,47 16.265,48 12.309,49 12.309,50 12.309,51 12.309,52 12.309,53 9.917,54 4.58,55 3.547,56 -0.665,57 9.019,58 2.382,59 0.177,60 6.812,61 8.318,62 -0.347,63 -0.347,64 36.551,65 -0.891,66 -0.891,67 3.189,68 15.61,69 15.61,70 15.61,71 15.61,72 15.61,73 16.701,74 2.864,75 13.279,76 7.367,77 -0.387,78 -0.387,79 2,80 0.245,81 2.672,82 6.378,83 6.559,84 2,85 2.55,87 4.571,88 5.35,89 7.968,90 3.089,91 0.885,92 1,93 4.382,94 34,95 5.355,96 10.501,97 11.8,98 102.207,99 5.019,100 5.394,101 4.394,102 2.168,103 2.168,104 0.632,105 4.263,106 0.606,107 4.963,108 4.963,109 3.005,110 129.482,111 9.952,112 0.957,113 6.73,114 -1.249,115 -1.249,116 0.701,117 4.945,118 5.231,119 1.13,120 3.258,121 3.258,122 25,123 3.932,124 3.382,125 3.886,126 -0.317,127 3.089,128 5.609,129 136,130 0.16,131 24.784,132 3.555,133 39,134 12.556,135 3.754,136 8.362,137 6.523}
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{0 CHEMBL2165511,1 5.141,2 12.581,3 6.02,4 13.778,5 4.37,6 0.297,7 4.273,8 43.706,9 4.896,10 4.317,11 4.382,12 4.408,13 4.534,14 5.203,15 5.203,16 9.896,17 4.435,18 3.266,19 5.208,20 5.521,21 0.11,22 4.322,23 1.979,24 2.092,25 0.5,26 46.915,27 2.204,28 384.268,29 4.282,30 0.958,31 3.118,32 22.181,33 0.587,34 2.744,35 2.744,36 12.215,37 1.388,38 3.192,39 5.255,40 0.252,41 30.121,42 3.329,43 1.531,44 4.334,45 2548,46 22.741,47 25.945,48 20.75,49 20.75,50 20.75,51 20.75,52 20.75,53 17.576,54 5.45,55 4.425,56 1.287,57 17.079,58 3.765,59 0.111,60 13.153,61 9.014,62 1.241,63 1.241,64 64.603,65 2.961,66 2.961,67 3.642,68 25.081,69 25.081,70 25.081,71 25.081,72 25.081,73 28.433,74 3.262,75 40.347,76 12.95,77 1.138,78 1.138,79 3.414,80 0.188,81 3.118,82 12.196,83 12.585,84 3.427,85 3.05,86 6.919,87 5.627,88 10.789,89 14.872,90 3.453,91 1.858,93 5.133,94 64,95 9.977,96 16.639,97 22.948,98 195.603,99 5.376,100 5.945,101 5.964,102 2.675,103 2.675,104 1.131,105 4.99,106 1.064,107 7.278,108 7.278,109 3.392,110 341.362,111 10.706,112 1.522,113 7.368,114 2.275,115 2.275,116 1.153,117 17.341,118 5.808,119 1.572,120 3.761,121 3.761,122 42,123 4.443,124 12.455,125 4.482,126 1.12,127 3.595,128 6.225,129 252,130 0.106,131 45.739,132 4.551,133 74,134 22.053,135 4.352,136 13.737,137 8.456}
{0 CHEMBL2165512,1 5.149,2 12.581,3 6.015,4 13.679,5 4.379,6 0.297,7 4.278,8 43.281,9 4.896,10 4.325,11 4.385,12 4.4,13 4.538,14 5.203,15 5.203,16 9.896,17 4.449,18 3.242,19 5.212,20 5.521,21 0.11,22 4.33,23 1.998,24 2.092,25 0.5,26 44.579,27 2.21,28 384.268,29 4.277,30 0.958,31 3.061,32 22.17,33 0.587,34 2.744,35 2.744,36 12.215,37 1.388,38 3.176,39 5.263,40 0.252,41 28.701,42 3.312,43 1.531,44 4.332,45 2548,46 22.741,47 25.942,48 20.75,49 20.75,50 20.75,51 20.75,52 20.75,53 17.576,54 5.454,55 4.429,56 1.287,57 17.079,58 3.765,59 0.111,60 13.153,61 9.014,62 1.241,63 1.241,64 64.596,65 2.961,66 2.961,67 3.642,68 25.081,69 25.081,70 25.081,71 25.081,72 25.081,73 28.433,74 3.262,75 40.369,76 12.95,77 1.138,78 1.138,79 3.414,80 0.188,81 3.048,82 12.181,83 12.573,84 3.427,85 3.05,86 6.929,87 5.625,88 10.789,89 14.872,90 3.462,91 1.857,93 5.133,94 64,95 9.967,96 16.636,97 22.957,98 195.603,99 5.378,100 5.947,101 5.964,102 2.675,103 2.675,104 1.131,105 4.99,106 1.064,107 7.278,108 7.278,109 3.405,110 341.362,111 10.706,112 1.522,113 7.368,114 2.275,115 2.275,116 1.153,117 17.889,118 5.808,119 1.572,120 3.761,121 3.761,122 42,123 4.443,124 12.856,125 4.482,126 1.12,127 3.595,128 6.225,129 252,130 0.106,131 45.739,132 4.556,133 74,134 22.053,135 4.352,136 13.734,137 9.174}
{0 CHEMBL2165513,1 5.158,2 12.581,3 6.017,4 14.08,5 4.394,6 0.297,7 4.286,8 44.666,9 4.896,10 4.331,11 4.395,12 4.409,13 4.552,14 5.203,15 5.203,16 9.896,17 4.458,18 3.26,19 5.219,20 5.521,21 0.11,22 4.326,23 2.004,24 2.112,25 0.5,26 43.16,27 2.214,28 384.268,29 4.282,30 0.958,31 3.096,32 22.187,33 0.587,34 2.744,35 2.744,36 12.215,37 1.388,38 3.2,39 5.268,40 0.252,41 28.953,42 3.325,43 1.531,44 4.34,45 2548,46 22.741,47 25.949,48 20.75,49 20.75,50 20.75,51 20.75,52 20.75,53 17.576,54 5.462,55 4.433,56 1.287,57 17.079,58 3.765,59 0.111,60 13.153,61 9.014,62 1.241,63 1.241,64 64.606,65 2.961,66 2.961,67 3.642,68 25.081,69 25.081,70 25.081,71 25.081,72 25.081,73 28.433,74 3.262,75 40.389,76 12.95,77 1.138,78 1.138,79 3.414,80 0.188,81 3.089,82 12.196,83 12.585,84 3.427,85 3.05,86 6.937,87 5.633,88 10.789,89 14.872,90 3.478,91 1.858,93 5.133,94 64,95 9.977,96 16.639,97 22.948,98 195.603,99 5.376,100 5.948,101 5.964,102 2.675,103 2.675,104 1.131,105 4.99,106 1.064,107 7.278,108 7.278,109 3.425,110 341.362,111 10.706,112 1.523,113 7.368,114 2.275,115 2.275,116 1.153,117 18.219,118 5.808,119 1.572,120 3.761,121 3.761,122 42,123 4.443,124 13.335,125 4.482,126 1.12,127 3.595,128 6.225,129 252,130 0.106,131 45.739,132 4.559,133 74,134 22.053,135 4.352,136 13.734,137 8.638}
{0 CHEMBL2165666,1 5.143,2 12.53,3 6.038,4 14.376,5 4.367,6 0.288,7 4.28,8 43.864,9 4.892,10 4.296,11 4.325,12 4.383,13 4.467,14 5.376,15 5.376,16 9.873,17 4.411,18 3.275,19 5.124,20 5.447,21 0.116,22 4.389,23 2.141,24 2.263,25 0.67,26 43.995,27 2.245,28 360.587,29 4.266,30 0.944,31 3.116,32 21.242,33 0.659,34 2.479,35 2.479,36 12.091,37 1.279,38 3.241,39 5.185,40 0.183,41 30.02,42 3.336,43 1.519,44 4.31,45 2172,46 21.808,47 24.901,48 19.792,49 19.792,50 19.792,51 19.792,52 19.792,53 15.907,54 5.356,55 4.355,56 1,57 16.304,58 3.508,59 0.118,60 12.63,61 8.927,62 1.227,63 1.227,64 61.05,65 2.916,66 2.916,67 3.589,68 24.032,69 24.032,70 24.032,71 24.032,72 24.032,73 27.452,74 3.361,75 37.474,76 12.476,77 1.106,78 1.106,79 3.414,80 0.191,81 3.121,82 11.84,83 12.205,84 3.433,85 3.113,86 7.134,87 5.48,88 10.448,89 13.74,90 3.488,91 1.862,93 5.101,94 59,95 9.703,96 15.853,97 22.116,98 180.794,99 5.292,100 5.99,101 5.966,102 2.627,103 2.627,104 1.115,105 4.997,106 1.064,107 7.134,108 7.134,109 3.43,110 368.093,111 10.613,112 1.543,113 7.291,114 2.275,115 2.275,116 1.153,117 16.739,118 5.746,119 1.569,120 3.714,121 3.714,122 40,123 4.394,124 13.084,125 4.43,126 1.063,127 3.547,128 6.163,129 237,130 0.106,131 43.972,132 4.483,133 71,134 21.075,135 4.304,136 13.058,137 7.538}
{0 CHEMBL2165667,1 5.157,2 12.509,3 5.986,4 14.807,5 4.385,6 0.317,7 4.279,8 44.982,9 4.836,10 4.3,11 4.335,12 4.413,13 4.486,14 5.296,15 5.296,16 10.016,17 4.426,18 3.279,19 5.135,20 5.443,21 0.115,22 4.313,23 1.939,24 2.101,25 0.67,26 35.396,27 2.097,28 358.383,29 4.278,30 0.826,31 3.117,32 21.1,33 0.581,34 2.916,35 2.916,36 12.006,37 1.279,38 3.242,39 5.197,40 0.173,41 25.848,42 3.339,43 1.52,44 4.302,45 2202,46 22.059,47 24.761,48 19.819,49 19.819,50 19.819,51 19.819,52 19.819,53 16.553,54 5.365,55 4.359,56 1,57 16.696,58 3.753,59 0.116,60 12.944,61 8.915,62 1.24,63 1.24,64 61.122,65 2.955,66 2.955,67 3.589,68 23.98,69 23.98,70 23.98,71 23.98,72 23.98,73 27.452,74 3.363,75 37.583,76 12.667,77 1.226,78 1.226,79 3.414,80 0.191,81 3.122,82 11.975,83 12.363,84 3.418,85 3.109,86 7.243,87 5.502,88 10.909,89 13.587,90 3.473,91 1.796,93 5.12,94 58,95 9.808,96 15.884,97 22.294,98 181.011,99 5.279,100 5.913,101 5.976,102 2.627,103 2.627,104 1.063,105 4.997,106 1.064,107 7.118,108 7.118,109 3.43,110 364.904,111 10.591,112 1.543,113 7.287,114 2.275,115 2.275,116 1.153,117 17.682,118 5.746,119 1.569,120 3.714,121 3.714,122 40,123 4.394,124 13.104,125 4.441,126 1.145,127 3.547,128 6.159,129 236,130 0.105,131 44.489,132 4.501,133 72,134 21.235,135 4.315,136 13.031,137 5.469}
{0 CHEMBL2165668,1 5.074,2 12.275,3 5.823,4 13.493,5 4.306,6 0.213,7 4.174,8 40.242,9 4.674,10 4.226,11 4.253,12 4.298,13 4.43,14 4.792,15 4.792,16 8.551,17 4.373,18 3.147,19 5.09,20 5.056,21 0.127,22 4.141,23 1.79,24 1.885,25 0.83,26 30.581,27 2.008,28 305.514,29 4.141,30 0.739,31 2.976,32 19.079,33 0.465,34 2.275,35 2.275,36 10.234,37 1.14,38 2.968,39 5.148,40 0.144,41 26.364,42 3.23,43 1.403,44 4.085,45 1734,46 20.035,47 22.58,48 17.831,49 17.831,50 17.831,51 17.831,52 17.831,53 14.989,54 5.334,55 4.269,56 1,57 15.019,58 3.414,59 0.129,60 11.172,61 8.76,62 1.094,63 1.094,64 54.384,65 2.532,66 2.532,67 3.503,68 21.825,69 21.825,70 21.825,71 21.825,72 21.825,73 24.561,74 3.11,75 34.555,76 12.583,77 1,78 1,79 3.247,80 0.202,81 2.994,82 11.104,83 11.56,84 3.39,85 3.01,86 7.331,87 5.429,88 9.444,89 11.977,90 3.375,91 1.679,93 5.078,94 51,95 9.177,96 14.535,97 20.2,98 157.183,99 5.182,100 5.795,101 5.677,102 2.626,103 2.626,104 1,105 4.812,106 1.064,107 6.112,108 6.112,109 3.312,110 388.446,111 10.417,112 1.355,113 7.149,114 2.136,115 2.136,116 1.153,117 17.677,118 5.624,119 1.452,120 3.611,121 3.611,122 36,123 4.29,124 12.794,125 4.393,126 1.036,127 3.546,128 6.023,129 206,130 0.115,131 42.79,132 4.437,133 69,134 20.197,135 4.262,136 11.89,137 5.886}
{0 CHEMBL2165669,1 5.112,2 12.46,3 5.9,4 13.459,5 4.339,6 0.233,7 4.235,8 42.792,9 4.706,10 4.257,11 4.287,12 4.358,13 4.448,14 4.823,15 4.823,16 9.555,17 4.383,18 3.271,19 5.095,20 5.441,21 0.118,22 4.281,23 1.905,24 2.023,25 0.67,26 31.801,27 2.048,28 343.966,29 4.223,30 0.796,31 3.113,32 20.855,33 0.524,34 2.275,35 2.275,36 11.692,37 1.279,38 3.2,39 5.174,40 0.15,41 26.936,42 3.332,43 1.519,44 4.244,45 2028,46 21.361,47 24.454,48 19.319,49 19.319,50 19.319,51 19.319,52 19.319,53 15.907,54 5.332,55 4.32,56 1,57 15.911,58 3.427,59 0.12,60 12.63,61 8.879,62 1.226,63 1.226,64 59.449,65 2.916,66 2.916,67 3.561,68 23.532,69 23.532,70 23.532,71 23.532,72 23.532,73 27.046,74 3.139,75 35.122,76 12.317,77 1,78 1,79 3.392,80 0.192,81 3.118,82 11.595,83 11.963,84 3.414,85 3.048,86 7.303,87 5.459,88 10.448,89 13.319,90 3.434,91 1.77,93 5.094,94 56,95 9.52,96 15.463,97 21.508,98 174.364,99 5.246,100 5.864,101 5.922,102 2.627,103 2.627,104 1.06,105 4.949,106 1.064,107 7.104,108 7.104,109 3.378,110 364.904,111 10.556,112 1.515,113 7.252,114 2.232,115 2.232,116 1.153,117 16.66,118 5.714,119 1.567,120 3.689,121 3.689,122 39,123 4.369,124 12.125,125 4.418,126 1.055,127 3.547,128 6.129,129 229,130 0.107,131 43.279,132 4.463,133 70,134 20.669,135 4.289,136 12.613,137 6.745}
{0 CHEMBL2165670,1 5.223,2 12.531,3 6.005,4 16.373,5 4.479,6 0.295,7 4.366,8 48.256,9 4.892,10 4.387,11 4.414,12 4.511,13 4.568,14 5.376,15 5.376,16 10.407,17 4.519,18 3.28,19 5.212,20 5.447,21 0.113,22 4.391,23 2.15,24 2.296,25 0.67,26 32.485,27 2.323,28 374.064,29 4.364,30 1.052,31 3.106,32 21.631,33 0.675,34 2.916,35 2.916,36 12.262,37 1.279,38 3.249,39 5.313,40 0.202,41 31.469,42 3.346,43 1.52,44 4.336,45 2348,46 22.385,47 25.557,48 20.292,49 20.292,50 20.292,51 20.292,52 20.292,53 16.798,54 5.445,55 4.425,56 1.139,57 16.638,58 3.633,59 0.115,60 13.199,61 8.952,62 1.247,63 1.247,64 62.169,65 2.971,66 2.971,67 3.616,68 24.739,69 24.739,70 24.739,71 24.739,72 24.739,73 28.145,74 3.364,75 39.263,76 13.617,77 1.227,78 1.227,79 3.414,80 0.188,81 3.107,82 12.351,83 12.82,84 3.5,85 3.141,86 7.326,87 5.558,88 11.3,89 13.99,90 3.549,91 1.847,93 5.148,94 62,95 10.177,96 16.464,97 22.808,98 183.153,99 5.299,100 5.985,101 5.986,102 2.627,103 2.627,104 1.091,105 5.037,106 1.064,107 7.134,108 7.134,109 3.469,110 400.217,111 10.643,112 1.554,113 7.313,114 2.275,115 2.275,116 1.153,117 19.681,118 5.765,119 1.569,120 3.738,121 3.738,122 41,123 4.419,124 14.114,125 4.474,126 1.147,127 3.547,128 6.18,129 241,130 0.103,131 46.796,132 4.569,133 75,134 22.222,135 4.347,136 13.367,137 5.699}
{0 CHEMBL2165671,1 5.17,2 12.581,3 6.012,4 14.976,5 4.415,6 0.297,7 4.303,8 45.031,9 4.896,10 4.342,11 4.405,12 4.444,13 4.564,14 5.203,15 5.203,16 9.896,17 4.472,18 3.283,19 5.229,20 5.521,21 0.11,22 4.321,23 2.019,24 2.145,25 0.5,26 41.789,27 2.255,28 384.268,29 4.306,30 0.958,31 3.143,32 22.087,33 0.587,34 2.744,35 2.744,36 12.215,37 1.388,38 3.22,39 5.276,40 0.252,41 27.918,42 3.341,43 1.531,44 4.331,45 2548,46 22.741,47 25.885,48 20.75,49 20.75,50 20.75,51 20.75,52 20.75,53 17.576,54 5.473,55 4.448,56 1.287,57 17.079,58 3.765,59 0.111,60 13.153,61 9.014,62 1.241,63 1.241,64 64.609,65 2.961,66 2.961,67 3.642,68 25.081,69 25.081,70 25.081,71 25.081,72 25.081,73 28.433,74 3.262,75 40.735,76 13.083,77 1.138,78 1.138,79 3.414,80 0.188,81 3.144,82 12.337,83 12.741,84 3.427,85 3.05,86 6.966,87 5.645,88 10.789,89 14.872,90 3.483,91 1.866,93 5.14,94 64,95 10.099,96 16.707,97 23.14,98 195.603,99 5.369,100 5.942,101 5.964,102 2.675,103 2.675,104 1.122,105 4.99,106 1.064,107 7.278,108 7.278,109 3.43,110 353.133,111 10.706,112 1.543,113 7.368,114 2.275,115 2.275,116 1.153,117 18.747,118 5.808,119 1.572,120 3.761,121 3.761,122 42,123 4.443,124 13.737,125 4.489,126 1.12,127 3.595,128 6.225,129 252,130 0.106,131 46.495,132 4.581,133 75,134 22.183,135 4.36,136 13.745,137 8.745}
{0 CHEMBL2165672,1 5.077,2 12.515,3 5.972,4 14.267,5 4.365,6 0.297,7 4.252,8 42.149,9 4.707,10 4.261,11 4.279,12 4.37,13 4.421,14 4.829,15 4.829,16 9.633,17 4.384,18 3.275,19 5.014,20 5.474,21 0.115,22 4.372,23 1.884,24 2.004,25 0.5,26 37.504,27 1.974,28 358.098,29 4.239,30 0.837,31 3.139,32 21.261,33 0.587,34 2.275,35 2.275,36 11.866,37 1.38,38 3.22,39 5.17,40 0.196,41 37.109,42 3.33,43 1.509,44 4.364,45 2196,46 21.272,47 24.652,48 19.826,49 19.826,50 19.826,51 19.826,52 19.826,53 18.353,54 5.217,55 4.319,56 1,57 15.807,58 3.427,59 0.119,60 13.32,61 8.948,62 1.241,63 1.241,64 61.519,65 2.961,66 2.961,67 3.589,68 23.797,69 23.797,70 23.797,71 23.797,72 23.797,73 27.334,74 3.225,75 34.966,76 11.583,77 1,78 1,79 3.392,80 0.191,81 3.143,82 11.378,83 11.858,84 3.414,85 3.048,86 6.18,87 5.399,88 10.894,89 13.557,90 3.48,91 1.746,93 5.048,94 58,95 9.267,96 15.003,97 22.137,98 185.247,99 5.243,100 5.952,101 5.943,102 2.67,103 2.67,104 1.04,105 4.963,106 1.064,107 7.244,108 7.244,109 3.428,110 317.82,111 10.631,112 1.543,113 7.311,114 2.232,115 2.232,116 1.153,117 16.087,118 5.759,119 1.561,120 3.714,121 3.714,122 40,123 4.394,124 13.23,125 4.38,126 1.055,127 3.587,128 6.168,129 238,130 0.106,131 43.068,132 4.442,133 68,134 21.238,135 4.273,136 13.161,137 8.77}
{0 CHEMBL2171918,1 5.416,2 12.731,3 6.355,4 19.938,5 4.644,6 0.313,7 4.54,8 52.144,9 4.958,10 4.542,11 4.504,12 4.596,13 4.608,14 5.49,15 5.49,16 10.841,17 4.644,18 3.119,19 5.336,20 5.621,21 0.116,22 4.437,23 2.738,24 2.904,25 0.67,26 80.187,27 2.625,28 378.376,29 4.462,30 1.474,31 2.96,32 20.664,33 0.946,34 2.663,35 2.663,36 12.479,37 1.064,38 3.023,39 5.558,40 0.161,41 53.334,42 3.206,43 1.376,44 4.303,45 2203,46 21.083,47 24.273,48 19.785,49 19.785,50 19.785,51 19.785,52 19.785,53 15.541,54 5.566,55 4.45,56 1.203,57 15.718,58 3.522,59 0.119,60 12.215,61 9.03,62 1.111,63 1.111,64 61.771,65 2.748,66 2.748,67 3.59,68 23.747,69 23.747,70 23.747,71 23.747,72 23.747,73 27.046,74 3.38,75 35.497,76 12.693,77 1.035,78 1.035,79 3.269,80 0.192,81 2.951,82 11.637,83 12.033,84 3.497,85 3.326,86 4.794,87 5.465,88 10.616,89 13.977,90 3.534,91 1.69,93 5.012,94 65,95 9.6,96 16.341,97 21.87,98 190.534,99 5.305,100 6.308,101 6.08,102 2.745,103 2.745,104 0.997,105 5.142,106 1.027,107 7.173,108 7.173,109 3.479,110 356.322,111 10.758,112 1.635,113 7.354,114 2.136,115 2.136,116 1.093,117 24.499,118 5.771,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 17.766,125 4.381,126 1.039,127 3.717,128 6.196,129 245,130 0.114,131 43.313,132 4.55,133 69,134 20.384,135 4.263,136 12.997,137 7.321}
{0 CHEMBL2171919,1 5.419,2 12.755,3 6.37,4 19.938,5 4.644,6 0.312,7 4.545,8 52.514,9 5.047,10 4.552,11 4.514,12 4.596,13 4.607,14 5.418,15 5.418,16 10.932,17 4.642,18 3.125,19 5.349,20 5.616,21 0.117,22 4.456,23 2.809,24 2.933,25 0.67,26 87.395,27 2.794,28 380.59,29 4.459,30 1.491,31 2.964,32 20.638,33 0.923,34 2.664,35 2.664,36 12.628,37 1.064,38 3.051,39 5.561,40 0.132,41 60.59,42 3.206,43 1.376,44 4.29,45 2193,46 21.115,47 24.314,48 19.775,49 19.775,50 19.775,51 19.775,52 19.775,53 15.541,54 5.575,55 4.458,56 1.208,57 15.698,58 3.522,59 0.12,60 12.215,61 9.04,62 1.127,63 1.127,64 61.745,65 2.743,66 2.743,67 3.59,68 23.8,69 23.8,70 23.8,71 23.8,72 23.8,73 27.046,74 3.416,75 35.738,76 12.693,77 1.077,78 1.077,79 3.265,80 0.192,81 2.951,82 11.645,83 12.039,84 3.503,85 3.183,86 4.666,87 5.47,88 10.616,89 14.06,90 3.534,91 1.69,93 5.012,94 66,95 9.609,96 16.365,97 21.875,98 190.937,99 5.305,100 6.351,101 6.066,102 2.794,103 2.794,104 0.997,105 5.153,106 1.025,107 7.085,108 7.085,109 3.478,110 356.322,111 10.774,112 1.587,113 7.358,114 2.288,115 2.288,116 1.092,117 24.225,118 5.771,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 17.805,125 4.381,126 1.076,127 3.763,128 6.201,129 246,130 0.114,131 43.313,132 4.549,133 69,134 20.384,135 4.263,136 13.025,137 6.58}
{0 CHEMBL2171920,1 5.432,2 12.731,3 6.386,4 20.042,5 4.651,6 0.313,7 4.545,8 53.457,9 4.958,10 4.545,11 4.509,12 4.597,13 4.616,14 5.49,15 5.49,16 10.841,17 4.649,18 3.116,19 5.35,20 5.621,21 0.116,22 4.434,23 2.706,24 2.975,25 0.67,26 91.965,27 2.653,28 378.376,29 4.463,30 1.474,31 2.953,32 20.657,33 0.946,34 2.663,35 2.663,36 12.479,37 1.064,38 3.019,39 5.546,40 0.161,41 44.314,42 3.206,43 1.376,44 4.309,45 2203,46 21.083,47 24.275,48 19.785,49 19.785,50 19.785,51 19.785,52 19.785,53 15.541,54 5.586,55 4.457,56 1.203,57 15.718,58 3.522,59 0.119,60 12.215,61 9.03,62 1.111,63 1.111,64 61.763,65 2.748,66 2.748,67 3.59,68 23.747,69 23.747,70 23.747,71 23.747,72 23.747,73 27.046,74 3.38,75 35.526,76 12.693,77 1.035,78 1.035,79 3.269,80 0.192,81 2.944,82 11.622,83 12.022,84 3.497,85 3.326,86 4.803,87 5.464,88 10.616,89 13.977,90 3.534,91 1.688,93 5.013,94 65,95 9.589,96 16.336,97 21.879,98 190.534,99 5.306,100 6.288,101 6.08,102 2.745,103 2.745,104 0.997,105 5.142,106 1.023,107 7.173,108 7.173,109 3.478,110 356.322,111 10.758,112 1.631,113 7.354,114 2.136,115 2.136,116 1.09,117 24.625,118 5.771,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 18.025,125 4.381,126 1.039,127 3.728,128 6.196,129 245,130 0.114,131 43.313,132 4.559,133 69,134 20.384,135 4.263,136 12.994,137 7.451}
{0 CHEMBL2171921,1 5.339,2 12.708,3 6.076,4 18.251,5 4.57,6 0.165,7 4.435,8 47.408,9 4.476,10 4.461,11 4.472,12 4.532,13 4.606,14 4.42,15 4.42,16 10.433,17 4.59,18 3.114,19 5.306,20 5.514,21 0.124,22 4.255,23 2.347,24 2.375,25 0.83,26 36.626,27 2.345,28 338.557,29 4.374,30 1.228,31 2.913,32 19.146,33 0.629,34 2.358,35 2.358,36 11.736,37 1.064,38 2.941,39 5.545,40 0.074,41 34.598,42 3.207,43 1.389,44 4.161,45 1706,46 20.193,47 22.762,48 18.275,49 18.275,50 18.275,51 18.275,52 18.275,53 14.39,54 5.542,55 4.451,56 1,57 15.212,58 3.608,59 0.13,60 11.736,61 8.97,62 1.069,63 1.069,64 56.637,65 2.662,66 2.662,67 3.504,68 22.198,69 22.198,70 22.198,71 22.198,72 22.198,73 25.542,74 3.013,75 34.393,76 12.017,77 1,78 1,79 3.29,80 0.198,81 2.941,82 11.366,83 11.7,84 3.515,85 2.915,86 5.052,87 5.595,88 10.433,89 13.221,90 3.348,91 1.573,92 1,93 5.039,94 61,95 9.288,96 15.116,97 20.948,98 174.258,99 5.178,100 6.061,101 6.052,102 2.531,103 2.531,104 0.906,105 5.112,106 1.064,107 6.735,108 6.735,109 3.282,110 364.904,111 10.714,112 1.411,113 7.279,114 2.23,115 2.23,116 1.153,117 25.565,118 5.687,119 1.437,120 3.638,121 3.638,122 37,123 4.317,124 17.867,125 4.364,126 0.973,127 3.483,128 6.125,129 228,130 0.125,131 41.586,132 4.575,133 68,134 19.064,135 4.245,136 11.897,137 6.347}
{0 CHEMBL2171922,1 5.535,2 12.833,3 6.304,4 23.016,5 4.797,6 0.234,7 4.677,8 56.667,9 4.779,10 4.661,11 4.63,12 4.799,13 4.746,14 4.796,15 4.796,16 12.139,17 4.776,18 3.245,19 5.444,20 5.665,21 0.107,22 4.512,23 2.796,24 2.964,25 0.67,26 45.103,27 2.747,28 418.064,29 4.654,30 1.31,31 3.058,32 22.141,33 0.798,34 2.688,35 2.688,36 13.698,37 1.137,38 3.135,39 5.676,40 0.123,41 40.52,42 3.308,43 1.459,44 4.453,45 2585,46 23.334,47 26.526,48 21.279,49 21.279,50 21.279,51 21.279,52 21.279,53 16.475,54 5.671,55 4.574,56 1.418,57 17.288,58 3.718,59 0.112,60 13.698,61 9.095,62 1.322,63 1.322,64 65.611,65 3,66 3,67 3.643,68 25.974,69 25.974,70 25.974,71 25.974,72 25.974,73 30.107,74 3.353,75 38.469,76 12.933,77 1.107,78 1.107,79 3.517,80 0.182,81 3.045,82 13.043,83 13.36,84 3.619,85 3.013,86 5.07,87 5.646,88 12.139,89 15.154,90 3.546,91 1.713,93 5.114,94 70,95 10.661,96 17.695,97 24.095,98 198.934,99 5.315,100 6.265,101 6.323,102 2.732,103 2.732,104 0.975,105 5.257,106 1.064,107 7.209,108 7.209,109 3.499,110 388.446,111 10.832,112 1.521,113 7.41,114 2.643,115 2.643,116 1.153,117 29.524,118 5.826,119 1.47,120 3.784,121 3.784,122 43,123 4.466,124 21.097,125 4.466,126 1.32,127 3.715,128 6.263,129 262,130 0.107,131 47.347,132 4.685,133 76,134 21.45,135 4.352,136 13.739,137 7.118}
{0 CHEMBL2171923,1 5.532,2 12.862,3 6.469,4 21.967,5 4.764,6 0.331,7 4.672,8 56.632,9 4.959,10 4.652,11 4.621,12 4.763,13 4.721,14 5.5,15 5.5,16 12.363,17 4.748,18 3.245,19 5.43,20 5.692,21 0.105,22 4.598,23 3.018,24 3.273,25 0.67,26 77.322,27 2.859,28 433.851,29 4.655,30 1.553,31 3.058,32 22.845,33 0.906,34 2.723,35 2.723,36 13.962,37 1.137,38 3.135,39 5.669,40 0.193,41 55.049,42 3.308,43 1.459,44 4.548,45 2774,46 23.756,47 27.1,48 21.762,49 21.762,50 21.762,51 21.762,52 21.762,53 16.475,54 5.651,55 4.565,56 1.453,57 17.701,58 3.732,59 0.109,60 13.698,61 9.124,62 1.351,63 1.351,64 67.39,65 3.144,66 3.144,67 3.669,68 26.421,69 26.421,70 26.421,71 26.421,72 26.421,73 30.512,74 3.38,75 39.787,76 12.86,77 1.111,78 1.111,79 3.52,80 0.181,81 3.045,82 12.996,83 13.278,84 3.695,85 3.342,86 4.872,87 5.637,88 12.139,89 15.49,90 3.553,91 1.834,93 5.111,94 72,95 10.587,96 17.901,97 24.272,98 205.468,99 5.371,100 6.389,101 6.382,102 2.747,103 2.747,104 1.07,105 5.283,106 1.064,107 7.348,108 7.348,109 3.509,110 379.864,111 10.861,112 1.645,113 7.44,114 2.656,115 2.656,116 1.153,117 27.327,118 5.855,119 1.47,120 3.807,121 3.807,122 44,123 4.489,124 20.04,125 4.463,126 1.33,127 3.718,128 6.29,129 269,130 0.105,131 46.529,132 4.66,133 75,134 21.621,135 4.351,136 14.147,137 6.896}
{0 CHEMBL2171924,1 5.441,2 12.997,3 6.512,4 21.763,5 4.714,6 0.537,7 4.623,8 57.068,9 5.126,10 4.614,11 4.577,12 4.697,13 4.667,14 5.674,15 5.674,16 12.032,17 4.704,18 3.271,19 5.366,20 6.02,21 0.105,22 4.662,23 2.851,24 3.073,25 0.67,26 99.885,27 2.72,28 434.67,29 4.585,30 1.615,31 3.106,32 23.061,33 1.156,34 2.765,35 2.765,36 14.267,37 1.171,38 3.219,39 5.578,40 0.338,41 72.183,42 3.317,43 1.429,44 4.644,45 2798,46 22.744,47 26.489,48 21.793,49 21.793,50 21.793,51 21.793,52 21.793,53 18.691,54 5.574,55 4.503,56 1.475,57 17.135,58 4,59 0.113,60 15.071,61 9.265,62 1.351,63 1.351,64 68.189,65 3.161,66 3.161,67 3.669,68 25.747,69 25.747,70 25.747,71 25.747,72 25.747,73 29.819,74 3.479,75 37.367,76 12.193,77 1.111,78 1.111,79 3.546,80 0.183,81 3.12,82 12.322,83 12.784,84 3.856,85 3.38,86 4.536,87 5.496,88 12.568,89 15.302,90 3.553,91 1.769,93 5.035,94 69,95 10.037,96 16.914,97 24.561,98 215.664,99 5.345,100 6.431,101 6.415,102 2.79,103 2.79,104 1.041,105 5.293,106 1.064,107 8.486,108 8.486,109 3.509,110 332.78,111 11.041,112 1.84,113 7.541,114 2.666,115 2.666,116 1.153,117 23.663,118 5.911,119 1.455,120 3.807,121 3.807,122 44,123 4.489,124 18.876,125 4.401,126 1.333,127 3.727,128 6.319,129 277,130 0.107,131 45.108,132 4.592,133 71,134 21.84,135 4.306,136 14.349,137 7.097}
{0 CHEMBL2171925,1 5.491,2 12.805,3 6.6,4 20.198,5 4.678,6 0.404,7 4.603,8 55.469,9 4.959,10 4.593,11 4.561,12 4.641,13 4.647,14 5.497,15 5.497,16 11.352,17 4.675,18 3.141,19 5.392,20 5.687,21 0.11,22 4.584,23 2.829,24 2.997,25 0.67,26 126.362,27 2.707,28 409.817,29 4.557,30 1.635,31 2.967,32 21.497,33 0.978,34 2.67,35 2.67,36 13.194,37 1.064,38 3.05,39 5.607,40 0.202,41 60.494,42 3.207,43 1.376,44 4.511,45 2564,46 22.928,47 26.144,48 20.555,49 20.555,50 20.555,51 20.555,52 20.555,53 15.622,54 5.609,55 4.512,56 1.209,57 16.494,58 3.562,59 0.114,60 12.93,61 9.078,62 1.114,63 1.114,64 63.851,65 2.792,66 2.792,67 3.643,68 25.593,69 25.593,70 25.593,71 25.593,72 25.593,73 28.433,74 3.38,75 37.354,76 12.093,77 1.06,78 1.06,79 3.414,80 0.188,81 2.953,82 12.057,83 12.33,84 3.515,85 3.339,86 4.432,87 5.556,88 11.127,89 15.049,90 3.541,91 1.724,93 5.028,94 71,95 9.859,96 17.306,97 22.733,98 196.522,99 5.412,100 6.462,101 6.196,102 2.747,103 2.747,104 1.026,105 5.198,106 1.029,107 7.319,108 7.319,109 3.502,110 332.78,111 10.813,112 1.638,113 7.394,114 2.136,115 2.136,116 1.089,117 24.872,118 5.808,119 1.429,120 3.761,121 3.761,122 42,123 4.443,124 18.488,125 4.417,126 1.046,127 3.718,128 6.244,129 257,130 0.11,131 44.222,132 4.581,133 71,134 20.693,135 4.308,136 13.806,137 6.812}
{0 CHEMBL2171926,1 5.331,2 12.731,3 6.335,4 18.961,5 4.634,6 0.313,7 4.527,8 46.916,9 4.958,10 4.529,11 4.482,12 4.56,13 4.577,14 5.49,15 5.49,16 10.841,17 4.631,18 3.118,19 5.262,20 5.621,21 0.116,22 4.413,23 2.569,24 2.761,25 0.5,26 80.445,27 2.474,28 378.376,29 4.431,30 1.474,31 2.96,32 20.356,33 0.946,34 2.663,35 2.663,36 12.479,37 1.026,38 3.023,39 5.483,40 0.161,41 47.709,42 3.195,43 1.327,44 4.269,45 2203,46 20.37,47 24.077,48 19.785,49 19.785,50 19.785,51 19.785,52 19.785,53 15.541,54 5.484,55 4.42,56 1.5,57 14.748,58 3.522,59 0.119,60 12.215,61 9.03,62 1.111,63 1.111,64 61.774,65 2.748,66 2.748,67 3.59,68 23.747,69 23.747,70 23.747,71 23.747,72 23.747,73 27.046,74 3.388,75 31.848,76 12.11,77 1.035,78 1.035,79 3.269,80 0.192,81 2.951,82 11.241,83 11.661,84 3.497,85 3.379,86 2.379,87 5.353,88 10.616,89 13.977,90 3.534,91 1.515,93 4.883,94 65,95 9.347,96 16.51,97 21.474,98 190.534,99 5.31,100 6.287,101 6.08,102 2.745,103 2.745,104 0.895,105 5.142,106 0.941,107 7.173,108 7.173,109 3.476,110 309.238,111 10.758,112 1.676,113 7.354,114 2.136,115 2.136,116 1.02,117 23.129,118 5.771,119 1.35,120 3.714,121 3.714,122 40,123 4.394,124 17.189,125 4.309,126 1.07,127 3.718,128 6.196,129 245,130 0.114,131 42.336,132 4.509,133 65,134 19.957,135 4.196,136 12.943,137 6.703}
{0 CHEMBL2171927,1 5.343,2 12.756,3 6.376,4 17.812,5 4.63,6 0.353,7 4.531,8 47.683,9 5.025,10 4.542,11 4.494,12 4.54,13 4.582,14 5.643,15 5.643,16 11.068,17 4.637,18 3.12,19 5.282,20 5.627,21 0.113,22 4.451,23 2.697,24 2.814,25 0.67,26 89.081,27 2.57,28 392.743,29 4.431,30 1.494,31 2.961,32 21.004,33 0.996,34 2.747,35 2.747,36 12.783,37 1.029,38 3.023,39 5.521,40 0.21,41 53.57,42 3.199,43 1.341,44 4.324,45 2362,46 20.793,47 24.614,48 20.268,49 20.268,50 20.268,51 20.268,52 20.268,53 16.174,54 5.503,55 4.428,56 1.5,57 15.159,58 3.803,59 0.117,60 12.519,61 9.062,62 1.346,63 1.346,64 63.458,65 3.159,66 3.159,67 3.617,68 24.195,69 24.195,70 24.195,71 24.195,72 24.195,73 27.452,74 3.455,75 32.882,76 12.226,77 1.087,78 1.087,79 3.473,80 0.191,81 2.951,82 11.312,83 11.717,84 3.505,85 3.38,86 2.326,87 5.364,88 10.843,89 14.304,90 3.541,91 1.631,93 4.905,94 67,95 9.401,96 16.809,97 21.747,98 196.889,99 5.369,100 6.339,101 6.118,102 2.746,103 2.746,104 0.989,105 5.165,106 0.941,107 7.219,108 7.219,109 3.482,110 285.695,111 10.789,112 1.804,113 7.386,114 2.515,115 2.515,116 1.02,117 23.214,118 5.802,119 1.357,120 3.738,121 3.738,122 41,123 4.419,124 17.185,125 4.343,126 1.315,127 3.719,128 6.225,129 252,130 0.111,131 42.586,132 4.505,133 66,134 20.327,135 4.223,136 13.295,137 8}
{0 CHEMBL2171928,1 5.385,2 12.785,3 6.401,4 18.363,5 4.672,6 0.393,7 4.568,8 50.072,9 5.101,10 4.582,11 4.536,12 4.583,13 4.625,14 5.654,15 5.654,16 11.234,17 4.683,18 3.174,19 5.337,20 5.636,21 0.11,22 4.481,23 2.818,24 2.918,25 0.67,26 88.05,27 2.692,28 407.689,29 4.475,30 1.515,31 2.962,32 21.509,33 1.045,34 3.159,35 3.159,36 13.268,37 1.069,38 3.024,39 5.58,40 0.26,41 55.492,42 3.281,43 1.445,44 4.367,45 2550,46 21.215,47 25.063,48 20.768,49 20.768,50 20.768,51 20.768,52 20.768,53 16.82,54 5.563,55 4.47,56 1.5,57 15.575,58 4.01,59 0.114,60 13.004,61 9.093,62 1.351,63 1.351,64 65.128,65 3.652,66 3.652,67 3.643,68 24.643,69 24.643,70 24.643,71 24.643,72 24.643,73 27.857,74 3.466,75 35.566,76 13.143,77 1.217,78 1.217,79 3.505,80 0.189,81 2.954,82 11.664,83 12.139,84 3.803,85 3.38,86 2.333,87 5.419,88 11.01,89 14.542,90 3.546,91 1.7,93 4.959,94 69,95 9.716,96 17.205,97 22.381,98 203.219,99 5.395,100 6.374,101 6.155,102 2.746,103 2.746,104 1.029,105 5.187,106 1.008,107 7.31,108 7.31,109 3.492,110 309.238,111 10.821,112 1.808,113 7.416,114 2.747,115 2.747,116 1.087,117 25.116,118 5.832,119 1.461,120 3.761,121 3.761,122 42,123 4.443,124 18.368,125 4.386,126 1.334,127 3.719,128 6.252,129 259,130 0.108,131 44.347,132 4.55,133 69,134 21.249,135 4.264,136 13.676,137 6.348}
{0 CHEMBL2171929,1 5.386,2 12.731,3 6.348,4 18.915,5 4.603,6 0.313,7 4.51,8 50.35,9 4.958,10 4.512,11 4.474,12 4.562,13 4.562,14 5.49,15 5.49,16 10.841,17 4.602,18 3.111,19 5.307,20 5.621,21 0.116,22 4.44,23 2.696,24 2.831,25 0.67,26 81.588,27 2.59,28 378.376,29 4.438,30 1.474,31 2.946,32 20.747,33 0.946,34 2.663,35 2.663,36 12.479,37 1.064,38 3.017,39 5.521,40 0.161,41 53.715,42 3.206,43 1.376,44 4.305,45 2203,46 21.083,47 24.323,48 19.785,49 19.785,50 19.785,51 19.785,52 19.785,53 15.541,54 5.536,55 4.417,56 1.203,57 15.718,58 3.522,59 0.119,60 12.215,61 9.03,62 1.111,63 1.111,64 61.762,65 2.748,66 2.748,67 3.59,68 23.747,69 23.747,70 23.747,71 23.747,72 23.747,73 27.046,74 3.38,75 35.05,76 12.56,77 1.035,78 1.035,79 3.269,80 0.192,81 2.941,82 11.495,83 11.877,84 3.497,85 3.326,86 4.669,87 5.403,88 10.616,89 13.977,90 3.524,91 1.702,93 5.004,94 65,95 9.48,96 16.279,97 21.678,98 190.534,99 5.313,100 6.304,101 6.08,102 2.745,103 2.745,104 1.016,105 5.142,106 1.014,107 7.173,108 7.173,109 3.468,110 344.551,111 10.758,112 1.626,113 7.354,114 2.136,115 2.136,116 1.078,117 22.634,118 5.771,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 16.37,125 4.373,126 1.011,127 3.717,128 6.196,129 245,130 0.114,131 42.557,132 4.502,133 68,134 20.254,135 4.254,136 12.994,137 8.189}
{0 CHEMBL2171930,1 5.302,2 12.756,3 6.365,4 16.582,5 4.587,6 0.353,7 4.501,8 44.987,9 5.025,10 4.514,11 4.467,12 4.501,13 4.541,14 5.643,15 5.643,16 11.068,17 4.6,18 3.111,19 5.264,20 5.627,21 0.113,22 4.454,23 2.667,24 2.73,25 0.67,26 90.415,27 2.564,28 392.743,29 4.404,30 1.494,31 2.948,32 21.086,33 0.996,34 2.747,35 2.747,36 12.783,37 1.017,38 3.018,39 5.496,40 0.21,41 57.47,42 3.192,43 1.338,44 4.326,45 2362,46 20.793,47 24.664,48 20.268,49 20.268,50 20.268,51 20.268,52 20.268,53 16.174,54 5.487,55 4.394,56 1.5,57 15.159,58 3.803,59 0.117,60 12.519,61 9.062,62 1.346,63 1.346,64 63.445,65 3.159,66 3.159,67 3.617,68 24.195,69 24.195,70 24.195,71 24.195,72 24.195,73 27.452,74 3.455,75 32.451,76 12.093,77 1.087,78 1.087,79 3.473,80 0.191,81 2.937,82 11.171,83 11.56,84 3.505,85 3.38,86 2.264,87 5.288,88 10.843,89 14.304,90 3.534,91 1.65,93 4.896,94 67,95 9.281,96 16.746,97 21.554,98 196.889,99 5.377,100 6.338,101 6.118,102 2.746,103 2.746,104 1.01,105 5.165,106 0.94,107 7.219,108 7.219,109 3.471,110 273.924,111 10.789,112 1.792,113 7.386,114 2.515,115 2.515,116 1.02,117 21.518,118 5.802,119 1.35,120 3.738,121 3.738,122 41,123 4.419,124 15.997,125 4.335,126 1.307,127 3.719,128 6.225,129 252,130 0.111,131 41.83,132 4.455,133 65,134 20.197,135 4.214,136 13.292,137 8.461}
{0 CHEMBL2171931,1 5.505,2 12.862,3 6.463,4 20.957,5 4.727,6 0.331,7 4.646,8 54.555,9 4.959,10 4.621,11 4.586,12 4.735,13 4.669,14 5.5,15 5.5,16 12.363,17 4.703,18 3.238,19 5.383,20 5.692,21 0.105,22 4.6,23 2.978,24 3.208,25 0.67,26 78.685,27 2.795,28 433.851,29 4.635,30 1.553,31 3.047,32 22.928,33 0.906,34 2.723,35 2.723,36 13.962,37 1.122,38 3.13,39 5.636,40 0.193,41 56.101,42 3.301,43 1.455,44 4.55,45 2774,46 23.756,47 27.149,48 21.762,49 21.762,50 21.762,51 21.762,52 21.762,53 16.475,54 5.596,55 4.532,56 1.453,57 17.701,58 3.732,59 0.109,60 13.698,61 9.124,62 1.351,63 1.351,64 67.386,65 3.144,66 3.144,67 3.669,68 26.421,69 26.421,70 26.421,71 26.421,72 26.421,73 30.512,74 3.38,75 39.319,76 12.726,77 1.111,78 1.111,79 3.52,80 0.181,81 3.033,82 12.854,83 13.122,84 3.695,85 3.342,86 4.747,87 5.594,88 12.139,89 15.49,90 3.549,91 1.846,93 5.104,94 72,95 10.467,96 17.838,97 24.08,98 205.468,99 5.379,100 6.385,101 6.382,102 2.747,103 2.747,104 1.088,105 5.283,106 1.064,107 7.348,108 7.348,109 3.504,110 368.093,111 10.861,112 1.638,113 7.44,114 2.656,115 2.656,116 1.153,117 25.461,118 5.855,119 1.463,120 3.807,121 3.807,122 44,123 4.489,124 18.641,125 4.456,126 1.328,127 3.718,128 6.29,129 269,130 0.105,131 45.773,132 4.613,133 74,134 21.491,135 4.343,136 14.146,137 7.959}
{0 CHEMBL2171932,1 5.197,2 12.553,3 5.895,4 16.094,5 4.424,6 0.136,7 4.264,8 41.436,9 4.455,10 4.325,11 4.336,12 4.316,13 4.478,14 4.365,15 4.365,16 8.911,17 4.468,18 3.111,19 5.198,20 5.45,21 0.139,22 4.02,23 2.068,24 2.012,25 1,26 37.113,27 2.112,28 287.7,29 4.109,30 1.149,31 2.91,32 16.965,33 0.607,34 2.136,35 2.136,36 10.253,37 1.064,38 2.866,39 5.418,40 0.058,41 35.432,42 3.206,43 1.376,44 3.775,45 1283,46 17.52,47 19.936,48 16.298,49 16.298,50 16.298,51 16.298,52 16.298,53 13.456,54 5.447,55 4.322,56 0.145,57 13.229,58 3.267,59 0.144,60 10.253,61 8.86,62 1,63 1,64 51.016,65 2.361,66 2.361,67 3.41,68 19.524,69 19.524,70 19.524,71 19.524,72 19.524,73 22.076,74 3.013,75 30.29,76 11.85,77 0.899,78 0.899,79 2.856,80 0.213,81 2.941,82 10.007,83 10.455,84 3.247,85 2.913,86 4.974,87 5.415,88 8.911,89 11.708,90 3.285,91 1.428,92 1,93 4.932,94 54,95 8.3,96 13.557,97 18.546,98 159.3,99 5.097,100 5.948,101 5.659,102 2.487,103 2.487,104 0.833,105 4.942,106 0.972,107 6.632,108 6.632,109 3.202,110 341.362,111 10.593,112 1.408,113 7.177,114 0.309,115 0.309,116 1.066,117 22.683,118 5.587,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 15.619,125 4.273,126 0.946,127 3.453,128 6.014,129 204,130 0.138,131 38.37,132 4.454,133 62,134 17.827,135 4.147,136 10.753,137 6.285}
{0 CHEMBL2171933,1 5.211,2 12.593,3 5.981,4 17.086,5 4.483,6 0.191,7 4.324,8 48.817,9 4.888,10 4.368,11 4.363,12 4.378,13 4.5,14 4.887,15 4.887,16 9.218,17 4.507,18 3.111,19 5.205,20 5.451,21 0.135,22 4.225,23 2.02,24 1.974,25 1,26 44.558,27 2.087,28 301.879,29 4.176,30 1.27,31 2.91,32 17.715,33 0.741,34 2.136,35 2.136,36 10.469,37 1.064,38 3.066,39 5.415,40 0.091,41 42.02,42 3.206,43 1.376,44 4.026,45 1418,46 17.942,47 20.52,48 16.781,49 16.781,50 16.781,51 16.781,52 16.781,53 14.498,54 5.446,55 4.346,56 0.221,57 13.642,58 3.298,59 0.14,60 10.688,61 8.897,62 1,63 1,64 52.773,65 2.426,66 2.426,67 3.442,68 19.971,69 19.971,70 19.971,71 19.971,72 19.971,73 22.482,74 3.373,75 32.948,76 11.91,77 0.916,78 0.916,79 2.885,80 0.211,81 2.941,82 10.1,83 10.584,84 3.247,85 3.003,86 4.912,87 5.414,88 9.499,89 12.051,90 3.285,91 1.412,93 4.931,94 56,95 8.35,96 13.641,97 19.023,98 165.516,99 5.118,100 6.032,101 5.72,102 2.56,103 2.56,104 0.822,105 4.984,106 0.973,107 6.637,108 6.637,109 3.202,110 329.591,111 10.63,112 1.473,113 7.215,114 0.426,115 0.426,116 1.065,117 22.876,118 5.624,119 1.429,120 3.555,121 3.555,122 34,123 4.234,124 16.453,125 4.273,126 0.946,127 3.514,128 6.047,129 211,130 0.134,131 39.228,132 4.478,133 62,134 18.883,135 4.152,136 11.114,137 6.128}
{0 CHEMBL2171934,1 5.421,2 12.697,3 6.166,4 21.002,5 4.682,6 0.256,7 4.545,8 51.272,9 4.77,10 4.551,11 4.515,12 4.638,13 4.636,14 4.79,15 4.79,16 10.616,17 4.675,18 3.118,19 5.351,20 5.597,21 0.118,22 4.336,23 2.52,24 2.619,25 0.67,26 45.879,27 2.519,28 363.299,29 4.461,30 1.231,31 2.96,32 19.96,33 0.838,34 2.659,35 2.659,36 12.215,37 1.064,38 3.021,39 5.566,40 0.115,41 41.083,42 3.206,43 1.376,44 4.18,45 2010,46 20.66,47 23.7,48 19.302,49 19.302,50 19.302,51 19.302,52 19.302,53 15.541,54 5.587,55 4.46,56 1.201,57 15.305,58 3.517,59 0.122,60 12.215,61 8.998,62 1.108,63 1.108,64 59.98,65 2.703,66 2.703,67 3.562,68 23.3,69 23.3,70 23.3,71 23.3,72 23.3,73 26.641,74 3.337,75 34.227,76 12.767,77 1.014,78 1.014,79 3.247,80 0.194,81 2.953,82 11.684,83 12.115,84 3.474,85 3.013,86 4.991,87 5.475,88 10.616,89 13.642,90 3.533,91 1.567,93 5.016,94 63,95 9.674,96 16.135,97 21.693,98 183.949,99 5.245,100 6.174,101 6.009,102 2.727,103 2.727,104 0.901,105 5.112,106 1.029,107 7.052,108 7.052,109 3.478,110 364.904,111 10.726,112 1.484,113 7.322,114 2.136,115 2.136,116 1.095,117 26.693,118 5.74,119 1.429,120 3.689,121 3.689,122 39,123 4.369,124 18.81,125 4.384,126 1.022,127 3.713,128 6.168,129 238,130 0.117,131 44.131,132 4.578,133 70,134 20.214,135 4.265,136 12.594,137 7.056}
{0 CHEMBL2171935,1 5.438,2 12.74,3 6.309,4 21.143,5 4.68,6 0.275,7 4.562,8 53.048,9 4.929,10 4.566,11 4.528,12 4.635,13 4.634,14 4.949,15 4.949,16 10.897,17 4.673,18 3.118,19 5.365,20 5.677,21 0.115,22 4.413,23 2.718,24 2.867,25 0.5,26 69.6,27 2.744,28 379.4,29 4.483,30 1.394,31 2.96,32 20.534,33 0.892,34 2.715,35 2.715,36 12.577,37 1.064,38 3.021,39 5.572,40 0.161,41 47.144,42 3.206,43 1.376,44 4.275,45 2179,46 21.107,47 24.251,48 19.769,49 19.769,50 19.769,51 19.769,52 19.769,53 15.541,54 5.596,55 4.475,56 1.202,57 15.694,58 3.639,59 0.119,60 12.215,61 9.039,62 1.309,63 1.309,64 61.66,65 2.972,66 2.972,67 3.59,68 23.8,69 23.8,70 23.8,71 23.8,72 23.8,73 27.046,74 3.372,75 35.975,76 12.826,77 1.108,78 1.108,79 3.514,80 0.192,81 2.953,82 11.785,83 12.196,84 3.563,85 3.013,86 4.832,87 5.481,88 10.616,89 14.114,90 3.533,91 1.674,93 5.02,94 66,95 9.732,96 16.434,97 22.067,98 190.662,99 5.297,100 6.279,101 6.054,102 2.839,103 2.839,104 0.975,105 5.142,106 1.029,107 7.229,108 7.229,109 3.478,110 368.093,111 10.77,112 1.484,113 7.358,114 2.661,115 2.661,116 1.095,117 25.863,118 5.771,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 18.916,125 4.389,126 1.294,127 3.787,128 6.201,129 246,130 0.114,131 44.069,132 4.575,133 70,134 20.514,135 4.272,136 13.02,137 6.293}
{0 CHEMBL2171936,1 5.525,2 12.743,3 6.334,4 15.894,5 4.633,6 0.388,7 4.54,8 59.071,9 5.226,10 4.516,11 4.482,12 4.634,13 4.563,14 6.145,15 6.145,16 11.241,17 4.579,18 3.385,19 5.413,20 5.636,21 0.108,22 4.493,23 2.663,24 2.727,25 0.5,26 60.458,27 2.65,28 424.03,29 4.529,30 1.413,31 3.172,32 23.321,33 1.082,34 3.19,35 3.19,36 13.028,37 1.36,38 3.268,39 5.637,40 0.309,41 48.473,42 3.464,43 1.67,44 4.45,45 2920,46 23.837,47 26.987,48 21.751,49 21.751,50 21.751,51 21.751,52 21.751,53 18.225,54 5.667,55 4.5,56 1.292,57 18.195,58 3.995,59 0.108,60 13.028,61 9.084,62 1.469,63 1.469,64 68.404,65 3.393,66 3.393,67 3.694,68 26.057,69 26.057,70 26.057,71 26.057,72 26.057,73 29.244,74 3.5,75 45.533,76 15.583,77 1.357,78 1.357,79 3.504,80 0.185,81 3.157,82 13.129,83 13.599,84 3.588,85 3.222,86 6.685,87 5.719,88 11.241,89 15.139,90 3.611,91 1.988,93 5.287,94 69,95 10.864,96 17.765,97 24.185,98 210.222,99 5.442,100 6.285,101 6.155,102 2.777,103 2.777,104 1.237,105 5.153,106 1.102,107 7.438,108 7.438,109 3.539,110 447.302,111 10.78,112 1.65,113 7.433,114 2.593,115 2.593,116 1.181,117 25.172,118 5.866,119 1.673,120 3.807,121 3.807,122 44,123 4.489,124 15.775,125 4.602,126 1.394,127 3.695,128 6.282,129 267,130 0.098,131 49.381,132 4.598,133 83,134 23.631,135 4.462,136 14.5,137 7.796}
{0 CHEMBL2171937,1 5.64,2 12.816,3 6.448,4 18.466,5 4.746,6 0.396,7 4.669,8 65.956,9 5.227,10 4.625,11 4.565,12 4.754,13 4.637,14 6.162,15 6.162,16 12.403,17 4.676,18 3.435,19 5.481,20 5.715,21 0.099,22 4.647,23 2.97,24 3.061,25 0.5,26 65.531,27 2.893,28 476.785,29 4.655,30 1.267,31 3.253,32 25.582,33 1.118,34 3.305,35 3.305,36 14.38,37 1.365,38 3.335,39 5.723,40 0.304,41 60.048,42 3.501,43 1.681,44 4.595,45 3542,46 26.406,47 29.716,48 23.771,49 23.771,50 23.771,51 23.771,52 23.771,53 19.379,54 5.722,55 4.565,56 1.536,57 20.229,58 4.091,59 0.099,60 14.38,61 9.154,62 1.49,63 1.49,64 74.175,65 4.425,66 4.425,67 3.765,68 28.626,69 28.626,70 28.626,71 28.626,72 28.626,73 32.709,74 3.52,75 50.415,76 15.75,77 1.417,78 1.417,79 3.56,80 0.175,81 3.235,82 14.522,83 14.884,84 3.654,85 3.229,86 6.972,87 5.801,88 12.403,89 16.538,90 3.618,91 2.138,93 5.362,94 74,95 11.876,96 19.296,97 26.546,98 225.001,99 5.496,100 6.419,101 6.337,102 2.777,103 2.777,104 1.313,105 5.252,106 1.223,107 7.688,108 7.688,109 3.552,110 470.844,111 10.849,112 1.652,113 7.506,114 3.02,115 3.02,116 1.278,117 27.012,118 5.943,119 1.683,120 3.892,121 3.892,122 48,123 4.575,124 17.126,125 4.668,126 1.399,127 3.695,128 6.361,129 289,130 0.089,131 52.597,132 4.661,133 89,134 24.868,135 4.535,136 15.655,137 7.409}
{0 CHEMBL2171938,1 5.426,2 12.703,3 6.306,4 16.062,5 4.555,6 0.369,7 4.472,8 53.925,9 5.179,10 4.438,11 4.399,12 4.574,13 4.46,14 5.964,15 5.964,16 10.964,17 4.498,18 3.37,19 5.279,20 5.552,21 0.11,22 4.487,23 2.477,24 2.539,25 0.5,26 69.581,27 2.43,28 407.692,29 4.457,30 1.337,31 3.17,32 22.785,33 0.938,34 2.971,35 2.971,36 12.857,37 1.374,38 3.258,39 5.553,40 0.263,41 53.52,42 3.446,43 1.652,44 4.447,45 2738,46 23.121,47 26.645,48 21.204,49 21.204,50 21.204,51 21.204,52 21.204,53 18.872,54 5.509,55 4.415,56 1.064,57 17.002,58 3.634,59 0.111,60 13.373,61 9.053,62 1.39,63 1.39,64 66.374,65 3.308,66 3.308,67 3.668,68 25.72,69 25.72,70 25.72,71 25.72,72 25.72,73 28.838,74 3.395,75 39.839,76 13.8,77 1.357,78 1.357,79 3.497,80 0.186,81 3.157,82 12.448,83 12.93,84 3.506,85 3.226,86 6.001,87 5.585,88 11.332,89 14.887,90 3.608,91 1.89,93 5.202,94 67,95 10.208,96 16.6,97 23.449,98 203.069,99 5.361,100 6.247,101 6.116,102 2.776,103 2.776,104 1.186,105 5.118,106 1.083,107 7.338,108 7.338,109 3.547,110 388.446,111 10.749,112 1.624,113 7.403,114 2.35,115 2.35,116 1.16,117 21.89,118 5.838,119 1.667,120 3.784,121 3.784,122 43,123 4.466,124 14.311,125 4.511,126 1.367,127 3.694,128 6.256,129 260,130 0.1,131 46.199,132 4.49,133 76,134 22.855,135 4.387,136 14.284,137 8.222}
{0 CHEMBL2171939,1 5.492,2 12.758,3 6.314,4 16.008,5 4.606,6 0.409,7 4.514,8 56.631,9 5.19,10 4.507,11 4.511,12 4.615,13 4.598,14 5.992,15 5.992,16 11.227,17 4.577,18 3.374,19 5.448,20 5.571,21 0.105,22 4.468,23 2.584,24 2.644,25 0.5,26 60.238,27 2.637,28 434.807,29 4.506,30 1.458,31 3.174,32 23.611,33 0.938,34 2.971,35 2.971,36 13.206,37 1.381,38 3.259,39 5.626,40 0.32,41 43.051,42 3.451,43 1.682,44 4.409,45 3170,46 24.591,47 27.878,48 22.128,49 22.128,50 22.128,51 22.128,52 22.128,53 18.095,54 5.706,55 4.533,56 1.294,57 18.274,58 3.856,59 0.106,60 13.206,61 9.113,62 1.39,63 1.39,64 69.478,65 3.31,66 3.31,67 3.718,68 27.004,69 27.004,70 27.004,71 27.004,72 27.004,73 29.937,74 3.4,75 45.806,76 15.3,77 1.364,78 1.364,79 3.503,80 0.183,81 3.159,82 13.407,83 13.813,84 3.634,85 3.248,86 6.787,87 5.793,88 11.227,89 16.203,90 3.609,91 2.004,93 5.281,94 73,95 11.04,96 18.304,97 24.453,98 213.444,99 5.474,100 6.241,101 6.142,102 2.778,103 2.778,104 1.256,105 5.142,106 1.083,107 7.367,108 7.367,109 3.546,110 423.76,111 10.816,112 1.736,113 7.455,114 2.752,115 2.752,116 1.161,117 24.416,118 5.883,119 1.677,120 3.829,121 3.829,122 45,123 4.511,124 15.246,125 4.607,126 1.375,127 3.697,128 6.308,129 274,130 0.099,131 49.626,132 4.623,133 83,134 23.799,135 4.465,136 14.862,137 8.699}
{0 CHEMBL2171940,1 5.488,2 12.703,3 6.257,4 16.295,5 4.59,6 0.369,7 4.496,8 56.558,9 5.179,10 4.475,11 4.466,12 4.609,13 4.567,14 5.964,15 5.964,16 10.964,17 4.551,18 3.371,19 5.408,20 5.552,21 0.11,22 4.439,23 2.543,24 2.647,25 0.5,26 50.033,27 2.584,28 407.692,29 4.488,30 1.337,31 3.171,32 22.724,33 0.938,34 2.971,35 2.971,36 12.857,37 1.379,38 3.249,39 5.576,40 0.263,41 41.63,42 3.449,43 1.678,44 4.374,45 2738,46 23.475,47 26.618,48 21.204,49 21.204,50 21.204,51 21.204,52 21.204,53 17.485,54 5.674,55 4.49,56 1.064,57 17.613,58 3.634,59 0.111,60 12.857,61 9.053,62 1.39,63 1.39,64 66.286,65 3.308,66 3.308,67 3.668,68 25.72,69 25.72,70 25.72,71 25.72,72 25.72,73 28.838,74 3.387,75 44.456,76 15.55,77 1.357,78 1.357,79 3.497,80 0.186,81 3.158,82 13.117,83 13.593,84 3.506,85 3.213,86 7.36,87 5.748,88 10.964,89 14.887,90 3.608,91 1.989,93 5.281,94 67,95 10.855,96 17.462,97 23.713,98 203.069,99 5.387,100 6.195,101 6.116,102 2.776,103 2.776,104 1.231,105 5.118,106 1.083,107 7.338,108 7.338,109 3.543,110 459.073,111 10.749,112 1.634,113 7.403,114 2.35,115 2.35,116 1.161,117 23.904,118 5.838,119 1.678,120 3.784,121 3.784,122 43,123 4.466,124 14.916,125 4.587,126 1.372,127 3.695,128 6.256,129 260,130 0.1,131 48.927,132 4.606,133 82,134 23.314,135 4.443,136 14.114,137 9}
{0 CHEMBL2171941,1 5.468,2 12.896,3 6.246,4 16.033,5 4.593,6 0.323,7 4.507,8 55.031,9 5.185,10 4.489,11 4.466,12 4.6,13 4.531,14 6.053,15 6.053,16 12.38,17 4.544,18 3.386,19 5.364,20 5.783,21 0.103,22 4.466,23 2.568,24 2.653,25 0.5,26 48.111,27 2.567,28 441.106,29 4.494,30 1.317,31 3.193,32 24.41,33 0.857,34 3.322,35 3.322,36 14.522,37 1.438,38 3.274,39 5.569,40 0.245,41 38.551,42 3.462,43 1.663,44 4.402,45 2899,46 25.106,47 28.331,48 22.734,49 22.734,50 22.734,51 22.734,52 22.734,53 17.744,54 5.604,55 4.462,56 1.467,57 19.142,58 4.108,59 0.104,60 14.522,61 9.185,62 1.45,63 1.45,64 70.721,65 4.265,66 4.265,67 3.694,68 27.35,69 27.35,70 27.35,71 27.35,72 27.35,73 32.134,74 3.424,75 42.669,76 13.967,77 1.39,78 1.39,79 3.634,80 0.176,81 3.178,82 13.733,83 14.002,84 3.991,85 3.272,86 7.59,87 5.642,88 12.38,89 16.599,90 3.612,91 2.03,93 5.267,94 67,95 11.169,96 18.196,97 25.647,98 218.478,99 5.382,100 6.191,101 6.328,102 2.773,103 2.773,104 1.226,105 5.283,106 1.34,107 7.795,108 7.795,109 3.551,110 411.989,111 10.901,112 1.774,113 7.517,114 2.998,115 2.998,116 1.409,117 23.145,118 5.932,119 1.696,120 3.85,121 3.85,122 46,123 4.533,124 14.971,125 4.573,126 1.376,127 3.692,128 6.354,129 287,130 0.093,131 47.858,132 4.545,133 81,134 22.661,135 4.442,136 14.517,137 8.523}
{0 CHEMBL2171942,1 5.421,2 12.738,3 6.208,4 15.613,5 4.55,6 0.309,7 4.464,8 52.194,9 5.177,10 4.441,11 4.416,12 4.587,13 4.487,14 5.962,15 5.962,16 11.547,17 4.507,18 3.37,19 5.322,20 5.515,21 0.108,22 4.427,23 2.472,24 2.58,25 0.5,26 45.11,27 2.466,28 410.838,29 4.477,30 1.211,31 3.171,32 23.273,33 0.864,34 2.971,35 2.971,36 13.396,37 1.381,38 3.255,39 5.561,40 0.228,41 40.441,42 3.447,43 1.678,44 4.354,45 2802,46 24.365,47 27.525,48 21.751,49 21.751,50 21.751,51 21.751,52 21.751,53 16.897,54 5.56,55 4.419,56 1.07,57 18.16,58 3.634,59 0.108,60 13.396,61 9.099,62 1.39,63 1.39,64 66.787,65 3.296,66 3.296,67 3.668,68 26.61,69 26.61,70 26.61,71 26.61,72 26.61,73 30.63,74 3.345,75 41.649,76 13.933,77 1.361,78 1.361,79 3.497,80 0.181,81 3.156,82 13.488,83 13.77,84 3.515,85 3.189,86 4.812,87 5.592,88 11.547,89 15.404,90 3.609,91 1.927,93 5.24,94 65,95 11.03,96 17.789,97 24.479,98 199.869,99 5.363,100 6.16,101 6.172,102 2.749,103 2.749,104 1.188,105 5.165,106 1.082,107 7.118,108 7.118,109 3.547,110 423.76,111 10.803,112 1.628,113 7.44,114 2.428,115 2.428,116 1.158,117 22.653,118 5.866,119 1.671,120 3.807,121 3.807,122 44,123 4.489,124 14.361,125 4.555,126 1.335,127 3.67,128 6.275,129 265,130 0.097,131 47.614,132 4.509,133 80,134 22.344,135 4.424,136 14.139,137 8.699}
{0 CHEMBL2171943,1 5.25,2 12.625,3 6.117,4 12.453,5 4.414,6 0.353,7 4.343,8 43.94,9 4.949,10 4.365,11 4.381,12 4.429,13 4.473,14 5.647,15 5.647,16 10.53,17 4.439,18 3.335,19 5.314,20 5.479,21 0.111,22 4.325,23 2.164,24 2.216,25 0.5,26 48.864,27 2.338,28 388.697,29 4.339,30 1.128,31 3.139,32 22.115,33 0.744,34 2.958,35 2.958,36 12.533,37 1.315,38 3.213,39 5.416,40 0.263,41 48.07,42 3.414,43 1.631,44 4.281,45 2552,46 22.996,47 25.959,48 20.753,49 20.753,50 20.753,51 20.753,52 20.753,53 17.064,54 5.583,55 4.412,56 1,57 17.246,58 3.626,59 0.113,60 12.533,61 9.006,62 1.387,63 1.387,64 64.442,65 3.001,66 3.001,67 3.643,68 25.168,69 25.168,70 25.168,71 25.168,72 25.168,73 28.433,74 3.384,75 42.052,76 13.933,77 1.246,78 1.246,79 3.414,80 0.188,81 3.129,82 12.851,83 13.198,84 3.497,85 3.165,86 4.666,87 5.627,88 10.53,89 14.252,90 3.596,91 1.887,93 5.207,94 63,95 10.573,96 17.106,97 23.231,98 195.286,99 5.376,100 6.114,101 6.052,102 2.669,103 2.669,104 1.159,105 5.063,106 1.066,107 7.261,108 7.261,109 3.529,110 400.217,111 10.693,112 1.585,113 7.365,114 2.275,115 2.275,116 1.153,117 18.984,118 5.808,119 1.632,120 3.761,121 3.761,122 42,123 4.443,124 11.849,125 4.535,126 1.372,127 3.59,128 6.221,129 251,130 0.102,131 46.614,132 4.513,133 78,134 21.944,135 4.399,136 13.773,137 7.921}
{0 CHEMBL2171944,1 5.477,2 12.703,3 6.282,4 16.564,5 4.589,6 0.369,7 4.498,8 55.777,9 5.179,10 4.469,11 4.449,12 4.61,13 4.538,14 5.964,15 5.964,16 10.964,17 4.54,18 3.369,19 5.377,20 5.552,21 0.11,22 4.438,23 2.535,24 2.639,25 0.5,26 56.264,27 2.558,28 407.692,29 4.49,30 1.337,31 3.17,32 22.623,33 0.938,34 2.971,35 2.971,36 12.857,37 1.361,38 3.244,39 5.578,40 0.263,41 44.938,42 3.447,43 1.666,44 4.38,45 2738,46 23.475,47 26.549,48 21.204,49 21.204,50 21.204,51 21.204,52 21.204,53 17.485,54 5.634,55 4.473,56 1.064,57 17.613,58 3.634,59 0.111,60 12.857,61 9.053,62 1.39,63 1.39,64 66.338,65 3.308,66 3.308,67 3.668,68 25.72,69 25.72,70 25.72,71 25.72,72 25.72,73 28.838,74 3.387,75 44.772,76 14.883,77 1.357,78 1.357,79 3.497,80 0.186,81 3.159,82 13.17,83 13.579,84 3.506,85 3.213,86 4.706,87 5.699,88 10.964,89 14.887,90 3.598,91 1.952,93 5.253,94 67,95 10.858,96 17.498,97 23.847,98 203.069,99 5.403,100 6.222,101 6.116,102 2.776,103 2.776,104 1.198,105 5.118,106 1.085,107 7.338,108 7.338,109 3.53,110 435.531,111 10.749,112 1.65,113 7.403,114 2.35,115 2.35,116 1.164,117 23.623,118 5.838,119 1.671,120 3.784,121 3.784,122 43,123 4.466,124 14.976,125 4.57,126 1.374,127 3.695,128 6.256,129 260,130 0.1,131 48.376,132 4.575,133 81,134 22.891,135 4.434,136 14.148,137 7.854}
{0 CHEMBL2171945,1 5.215,2 12.625,3 6.065,4 14.982,5 4.445,6 0.353,7 4.351,8 48.237,9 4.949,10 4.374,11 4.402,12 4.485,13 4.539,14 5.647,15 5.647,16 10.53,17 4.482,18 3.314,19 5.248,20 5.479,21 0.111,22 4.419,23 2.169,24 2.269,25 0.5,26 41.667,27 2.381,28 388.697,29 4.358,30 1.128,31 3.139,32 22.343,33 0.744,34 2.958,35 2.958,36 12.533,37 1.307,38 3.282,39 5.327,40 0.263,41 42.672,42 3.383,43 1.507,44 4.404,45 2552,46 22.996,47 26.079,48 20.753,49 20.753,50 20.753,51 20.753,52 20.753,53 17.706,54 5.492,55 4.427,56 1,57 17.246,58 3.626,59 0.113,60 13.47,61 9.006,62 1.387,63 1.387,64 64.425,65 3.001,66 3.001,67 3.643,68 25.168,69 25.168,70 25.168,71 25.168,72 25.168,73 28.433,74 3.384,75 44.018,76 13.85,77 1.246,78 1.246,79 3.414,80 0.188,81 3.15,82 12.76,83 13.195,84 3.497,85 3.165,86 4.75,87 5.585,88 11.423,89 14.252,90 3.593,91 1.914,93 5.185,94 63,95 10.487,96 16.732,97 23.396,98 195.286,99 5.354,100 6.062,101 6.052,102 2.669,103 2.669,104 1.144,105 5.063,106 1.064,107 7.261,108 7.261,109 3.527,110 400.217,111 10.693,112 1.577,113 7.365,114 2.275,115 2.275,116 1.153,117 18.138,118 5.808,119 1.546,120 3.761,121 3.761,122 42,123 4.443,124 12.729,125 4.51,126 1.365,127 3.574,128 6.221,129 251,130 0.102,131 47.256,132 4.555,133 77,134 22.669,135 4.384,136 13.78,137 8.078}
{0 CHEMBL2171946,1 5.215,2 12.625,3 6.07,4 14.852,5 4.475,6 0.353,7 4.361,8 48.606,9 4.949,10 4.391,11 4.403,12 4.471,13 4.537,14 5.647,15 5.647,16 10.53,17 4.518,18 3.314,19 5.247,20 5.479,21 0.111,22 4.433,23 2.194,24 2.262,25 0.5,26 41.586,27 2.409,28 388.697,29 4.35,30 1.128,31 3.139,32 22.354,33 0.744,34 2.958,35 2.958,36 12.533,37 1.308,38 3.284,39 5.312,40 0.263,41 36.932,42 3.384,43 1.511,44 4.369,45 2552,46 22.996,47 26.088,48 20.753,49 20.753,50 20.753,51 20.753,52 20.753,53 17.733,54 5.487,55 4.423,56 1,57 17.246,58 3.626,59 0.113,60 13.435,61 9.006,62 1.387,63 1.387,64 64.43,65 3.001,66 3.001,67 3.643,68 25.168,69 25.168,70 25.168,71 25.168,72 25.168,73 28.433,74 3.384,75 43.994,76 13.85,77 1.246,78 1.246,79 3.414,80 0.188,81 3.15,82 12.76,83 13.195,84 3.497,85 3.165,86 4.724,87 5.591,88 11.377,89 14.252,90 3.593,91 1.915,93 5.184,94 63,95 10.487,96 16.727,97 23.396,98 195.286,99 5.354,100 6.039,101 6.052,102 2.669,103 2.669,104 1.144,105 5.063,106 1.065,107 7.261,108 7.261,109 3.527,110 400.217,111 10.693,112 1.547,113 7.365,114 2.275,115 2.275,116 1.153,117 19.17,118 5.808,119 1.548,120 3.761,121 3.761,122 42,123 4.443,124 14.745,125 4.51,126 1.365,127 3.567,128 6.221,129 251,130 0.102,131 47.256,132 4.543,133 77,134 22.669,135 4.384,136 13.781,137 7.301}
{0 CHEMBL2171947,1 5.213,2 12.629,3 6.126,4 12.494,5 4.445,6 0.351,7 4.378,8 41.378,9 4.764,10 4.388,11 4.419,12 4.478,13 4.519,14 5.21,15 5.21,16 10.762,17 4.471,18 3.328,19 5.303,20 5.713,21 0.111,22 4.367,23 2.206,24 2.272,25 0.33,26 43.969,27 2.376,28 393.597,29 4.402,30 1.21,31 3.154,32 21.991,33 0.808,34 2.968,35 2.968,36 12.576,37 1.224,38 3.198,39 5.414,40 0.242,41 53.265,42 3.399,43 1.509,44 4.326,45 2624,46 22.943,47 25.956,48 20.724,49 20.724,50 20.724,51 20.724,52 20.724,53 16.958,54 5.566,55 4.44,56 1.056,57 17.079,58 3.627,59 0.112,60 12.576,61 9.031,62 1.322,63 1.322,64 64.566,65 3.116,66 3.116,67 3.643,68 25.22,69 25.22,70 25.22,71 25.22,72 25.22,73 28.433,74 3.376,75 40.875,76 13.85,77 1.257,78 1.257,79 3.414,80 0.188,81 3.149,82 12.83,83 13.183,84 3.498,85 3.066,86 4.583,87 5.608,88 10.762,89 14.412,90 3.579,91 1.863,93 5.177,94 66,95 10.561,96 17.185,97 23.185,98 195.963,99 5.37,100 6.146,101 6.091,102 2.804,103 2.804,104 1.127,105 5.088,106 1.064,107 7.575,108 7.575,109 3.512,110 400.217,111 10.731,112 1.595,113 7.376,114 2.275,115 2.275,116 1.153,117 19.362,118 5.808,119 1.508,120 3.761,121 3.761,122 42,123 4.443,124 12.417,125 4.512,126 1.241,127 3.726,128 6.225,129 252,130 0.102,131 46.608,132 4.533,133 77,134 21.891,135 4.382,136 13.767,137 6}
{0 CHEMBL2171948,1 5.594,2 12.814,3 6.405,4 18.905,5 4.712,6 0.382,7 4.633,8 62.497,9 5.227,10 4.591,11 4.542,12 4.727,13 4.61,14 6.163,15 6.163,16 11.791,17 4.643,18 3.434,19 5.458,20 5.716,21 0.101,22 4.589,23 2.847,24 2.964,25 0.5,26 62.867,27 2.806,28 462.618,29 4.619,30 1.309,31 3.259,32 24.884,33 1.031,34 3.3,35 3.3,36 14.204,37 1.386,38 3.332,39 5.676,40 0.286,41 54.462,42 3.502,43 1.694,44 4.547,45 3320,46 25.699,47 28.872,48 23.271,49 23.271,50 23.271,51 23.271,52 23.271,53 19.025,54 5.697,55 4.535,56 1.532,57 19.729,58 4.091,59 0.102,60 14.204,61 9.135,62 1.489,63 1.489,64 72.782,65 4.443,66 4.443,67 3.742,68 27.919,69 27.919,70 27.919,71 27.919,72 27.919,73 32.016,74 3.521,75 49.657,76 15.383,77 1.365,78 1.365,79 3.515,80 0.177,81 3.245,82 14.345,83 14.704,84 3.631,85 3.229,86 4.707,87 5.747,88 11.791,89 16.288,90 3.618,91 2.099,93 5.332,94 71,95 11.741,96 18.905,97 26.248,98 222.266,99 5.466,100 6.356,101 6.308,102 2.777,103 2.777,104 1.272,105 5.22,106 1.354,107 7.69,108 7.69,109 3.552,110 459.073,111 10.829,112 1.653,113 7.488,114 2.955,115 2.955,116 1.412,117 25.762,118 5.927,119 1.699,120 3.871,121 3.871,122 47,123 4.554,124 16.606,125 4.639,126 1.4,127 3.695,128 6.347,129 285,130 0.091,131 51.591,132 4.625,133 87,134 24.291,135 4.509,136 15.302,137 8.398}
{0 CHEMBL2171949,1 5.572,2 12.76,3 6.397,4 18.139,5 4.674,6 0.412,7 4.59,8 61.426,9 5.226,10 4.556,11 4.521,12 4.694,13 4.599,14 6.153,15 6.153,16 11.356,17 4.612,18 3.394,19 5.445,20 5.677,21 0.105,22 4.545,23 2.745,24 2.85,25 0.5,26 65.44,27 2.716,28 438.503,29 4.584,30 1.413,31 3.188,32 23.767,33 1.138,34 3.267,35 3.267,36 13.226,37 1.362,38 3.285,39 5.661,40 0.317,41 55.933,42 3.465,43 1.671,44 4.509,45 3128,46 24.707,47 27.939,48 22.171,49 22.171,50 22.171,51 22.171,52 22.171,53 18.366,54 5.688,55 4.533,56 1.456,57 18.623,58 4.079,59 0.106,60 13.226,61 9.098,62 1.483,63 1.483,64 69.232,65 3.663,66 3.663,67 3.718,68 26.927,69 26.927,70 26.927,71 26.927,72 26.927,73 29.937,74 3.51,75 48.379,76 15.883,77 1.357,78 1.357,79 3.504,80 0.183,81 3.17,82 13.527,83 13.985,84 3.602,85 3.224,86 4.676,87 5.781,88 11.356,89 15.657,90 3.61,91 1.997,93 5.303,94 71,95 11.156,96 18.252,97 24.761,98 212.709,99 5.47,100 6.345,101 6.188,102 2.777,103 2.777,104 1.238,105 5.17,106 1.12,107 7.553,108 7.553,109 3.546,110 459.073,111 10.794,112 1.651,113 7.448,114 2.783,115 2.783,116 1.191,117 25.427,118 5.883,119 1.673,120 3.829,121 3.829,122 45,123 4.511,124 16.151,125 4.619,126 1.395,127 3.695,128 6.301,129 272,130 0.095,131 50.591,132 4.629,133 85,134 24.169,135 4.487,136 14.888,137 8.35}
{0 CHEMBL2171950,1 5.499,2 12.817,3 6.292,4 17.095,5 4.626,6 0.342,7 4.536,8 56.847,9 5.227,10 4.517,11 4.487,12 4.649,13 4.571,14 6.166,15 6.166,16 11.321,17 4.584,18 3.417,19 5.398,20 5.727,21 0.105,22 4.479,23 2.635,24 2.751,25 0.5,26 55.494,27 2.667,28 432.259,29 4.537,30 1.191,31 3.235,32 23.673,33 0.959,34 3.296,35 3.296,36 13.246,37 1.353,38 3.319,39 5.602,40 0.269,41 44.327,42 3.487,43 1.613,44 4.441,45 2918,46 24.284,47 27.326,48 22.271,49 22.271,50 22.271,51 22.271,52 22.271,53 18.318,54 5.649,55 4.502,56 1.526,57 18.729,58 4.091,59 0.106,60 13.246,61 9.126,62 1.487,63 1.487,64 69.843,65 4.455,66 4.455,67 3.694,68 26.504,69 26.504,70 26.504,71 26.504,72 26.504,73 30.63,74 3.524,75 46.02,76 14.717,77 1.357,78 1.357,79 3.504,80 0.181,81 3.217,82 13.755,83 14.124,84 3.619,85 3.231,86 4.735,87 5.708,88 11.321,89 15.221,90 3.617,91 2.005,93 5.268,94 69,95 11.272,96 18.037,97 25.389,98 216.256,99 5.409,100 6.237,101 6.221,102 2.779,103 2.779,104 1.231,105 5.187,106 1.064,107 7.715,108 7.715,109 3.552,110 435.531,111 10.83,112 1.652,113 7.469,114 2.909,115 2.909,116 1.153,117 24.32,118 5.894,119 1.597,120 3.829,121 3.829,122 45,123 4.511,124 15.632,125 4.591,126 1.398,127 3.698,128 6.319,129 277,130 0.096,131 49.376,132 4.599,133 83,134 23.175,135 4.458,136 14.549,137 7.721}
{0 CHEMBL2171951,1 5.506,2 12.743,3 6.378,4 16.605,5 4.609,6 0.388,7 4.526,8 57.554,9 5.226,10 4.503,11 4.476,12 4.625,13 4.552,14 6.145,15 6.145,16 11.241,17 4.557,18 3.377,19 5.406,20 5.636,21 0.108,22 4.492,23 2.576,24 2.667,25 0.5,26 69.076,27 2.587,28 424.03,29 4.523,30 1.413,31 3.174,32 23.239,33 1.082,34 3.19,35 3.19,36 13.028,37 1.361,38 3.266,39 5.607,40 0.309,41 55.595,42 3.45,43 1.667,44 4.461,45 2920,46 23.837,47 26.931,48 21.751,49 21.751,50 21.751,51 21.751,52 21.751,53 18.225,54 5.654,55 4.495,56 1.292,57 18.195,58 3.995,59 0.108,60 13.028,61 9.084,62 1.469,63 1.469,64 68.4,65 3.393,66 3.393,67 3.694,68 26.057,69 26.057,70 26.057,71 26.057,72 26.057,73 29.244,74 3.5,75 46.434,76 14.917,77 1.357,78 1.357,79 3.504,80 0.185,81 3.16,82 13.221,83 13.625,84 3.588,85 3.222,86 4.616,87 5.711,88 11.241,89 15.139,90 3.6,91 1.96,93 5.26,94 69,95 10.873,96 17.8,97 24.274,98 210.222,99 5.454,100 6.309,101 6.155,102 2.777,103 2.777,104 1.205,105 5.153,106 1.086,107 7.438,108 7.438,109 3.539,110 423.76,111 10.78,112 1.651,113 7.433,114 2.593,115 2.593,116 1.163,117 24.037,118 5.866,119 1.67,120 3.807,121 3.807,122 44,123 4.489,124 15.38,125 4.585,126 1.394,127 3.695,128 6.282,129 267,130 0.098,131 48.83,132 4.587,133 82,134 23.208,135 4.453,136 14.546,137 7.77}
{0 CHEMBL2171952,1 5.538,2 12.743,3 6.338,4 17.348,5 4.66,6 0.388,7 4.561,8 59.475,9 5.226,10 4.537,11 4.505,12 4.671,13 4.594,14 6.145,15 6.145,16 11.241,17 4.609,18 3.395,19 5.434,20 5.636,21 0.108,22 4.487,23 2.718,24 2.808,25 0.5,26 59.833,27 2.727,28 424.03,29 4.554,30 1.413,31 3.201,32 23.156,33 1.082,34 3.19,35 3.19,36 13.028,37 1.362,38 3.282,39 5.658,40 0.309,41 48.819,42 3.47,43 1.672,44 4.448,45 2920,46 23.837,47 26.879,48 21.751,49 21.751,50 21.751,51 21.751,52 21.751,53 18.225,54 5.688,55 4.518,56 1.292,57 18.195,58 3.995,59 0.108,60 13.028,61 9.084,62 1.469,63 1.469,64 68.375,65 3.393,66 3.393,67 3.694,68 26.057,69 26.057,70 26.057,71 26.057,72 26.057,73 29.244,74 3.5,75 47.854,76 15.717,77 1.357,78 1.357,79 3.504,80 0.185,81 3.187,82 13.479,83 13.962,84 3.588,85 3.222,86 4.712,87 5.731,88 11.241,89 15.139,90 3.615,91 2.019,93 5.291,94 69,95 11.154,96 17.875,97 24.533,98 210.222,99 5.431,100 6.287,101 6.155,102 2.777,103 2.777,104 1.236,105 5.153,106 1.119,107 7.438,108 7.438,109 3.548,110 459.073,111 10.78,112 1.651,113 7.433,114 2.593,115 2.593,116 1.191,117 26.096,118 5.866,119 1.676,120 3.807,121 3.807,122 44,123 4.489,124 16.552,125 4.605,126 1.395,127 3.695,128 6.282,129 267,130 0.098,131 50.137,132 4.622,133 84,134 23.761,135 4.468,136 14.525,137 7.721}
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{0 CHEMBL2322232,1 4.054,2 12.013,3 5.045,4 6.172,5 3.632,6 0.078,7 3.507,8 16.299,9 3.754,10 3.617,11 3.653,12 3.378,13 3.748,14 2.882,15 2.882,16 6.282,17 3.706,18 2.854,19 4.305,20 4.537,21 0.165,22 3.845,23 0.747,24 0.659,25 1,26 18.889,27 0.814,28 194.508,29 3.228,30 0.582,31 2.715,32 13.935,33 0.28,34 -0.879,35 -0.879,36 7.575,37 0.821,38 2.866,39 4.336,40 0.049,41 46.619,42 2.925,43 1.062,44 3.338,45 701,46 14.182,47 16.433,48 12.847,49 12.847,50 12.847,51 12.847,52 12.847,53 11.128,54 4.446,55 3.742,56 -0.657,57 10.318,58 2.645,59 0.177,60 8.591,61 8.468,62 -0.121,63 -0.121,64 39.548,65 -0.281,66 -0.281,67 3.19,68 15.792,69 15.792,70 15.792,71 15.792,72 15.792,73 17.8,74 2.583,75 18.719,76 6.76,77 -0.348,78 -0.348,79 2,80 0.237,81 2.735,82 7.126,83 7.359,84 2.343,85 2.5,86 2.049,87 4.612,88 7.218,89 8.896,90 2.948,91 0.84,92 1,93 4.418,94 37,95 5.788,96 10.043,97 13.74,98 115.086,99 4.857,100 5.51,101 5.024,102 2.282,103 2.282,104 0.474,105 4.511,106 0.63,107 4.67,108 4.67,109 2.937,110 164.795,111 10.144,112 0.971,113 6.841,114 -1.372,115 -1.372,116 0.671,117 6.272,118 5.303,119 1.107,120 3.296,121 3.296,122 26,123 3.97,124 7.081,125 3.825,126 -0.09,127 3.211,128 5.714,129 151,130 0.161,131 27.205,132 3.832,133 40,134 13.823,135 3.755,136 8.522,137 5.428}
{0 CHEMBL2322233,1 4.074,2 12.084,3 5.237,4 6.252,5 3.677,6 0.118,7 3.555,8 16.324,9 4.011,10 3.685,11 3.7,12 3.437,13 3.795,14 3.104,15 3.104,16 6.454,17 3.777,18 2.878,19 4.324,20 4.537,21 0.159,22 3.96,23 0.734,24 0.638,25 1,26 28.388,27 0.785,28 207.29,29 3.306,30 0.638,31 2.756,32 14.643,33 0.334,34 -0.718,35 -0.718,36 7.839,37 0.824,38 2.866,39 4.335,40 0.066,41 48.68,42 2.921,43 1.012,44 3.643,45 784,46 14.63,47 17.03,48 13.315,49 13.315,50 13.315,51 13.315,52 13.315,53 11.969,54 4.443,55 3.785,56 -0.646,57 10.704,58 2.687,59 0.17,60 9.075,61 8.535,62 0.108,63 0.108,64 41.172,65 0.24,66 0.24,67 3.23,68 16.292,69 16.292,70 16.292,71 16.292,72 16.292,73 18.205,74 2.82,75 21.074,76 6.819,77 -0.277,78 -0.277,79 2.372,80 0.234,81 2.783,82 7.227,83 7.495,84 2.433,85 2.583,86 2.028,87 4.61,88 7.557,89 9.474,90 2.948,91 0.825,92 1,93 4.417,94 40,95 5.849,96 10.195,97 14.222,98 121.882,99 4.885,100 5.537,101 5.118,102 2.415,103 2.415,104 0.463,105 4.554,106 0.63,107 4.67,108 4.67,109 2.939,110 153.024,111 10.218,112 0.971,113 6.899,114 -1.338,115 -1.338,116 0.669,117 5.837,118 5.352,119 1.056,120 3.332,121 3.332,122 27,123 4.007,124 7.006,125 3.823,126 0.067,127 3.361,128 5.765,129 159,130 0.155,131 28.063,132 3.876,133 40,134 14.88,135 3.762,136 8.886,137 6.556}
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{0 CHEMBL2322235,1 4.168,2 11.964,3 5.282,4 7.148,5 3.776,6 0.133,7 3.647,8 19.335,9 3.754,10 3.701,11 3.686,12 3.536,13 3.771,14 2.938,15 2.938,16 6.546,17 3.789,18 3.02,19 4.376,20 4.537,21 0.146,22 3.765,23 0.876,24 0.756,25 1,26 20.231,27 0.887,28 219.583,29 3.428,30 0.404,31 2.857,32 15.27,33 0.285,34 0.669,35 0.669,36 8.083,37 1.019,38 2.866,39 4.446,40 0.09,41 39.114,42 3.049,43 1.156,44 3.544,45 1056,46 16.22,47 18.707,48 14.264,49 14.264,50 14.264,51 14.264,52 14.264,53 11.669,54 4.536,55 3.785,56 -0.282,57 11.318,58 2.738,59 0.157,60 8.907,61 8.505,62 0.711,63 0.711,64 43.142,65 1.58,66 1.58,67 3.304,68 18.024,69 18.024,70 18.024,71 18.024,72 18.024,73 19.879,74 2.98,75 20.475,76 8.283,77 0.399,78 0.399,79 2.51,80 0.224,81 2.878,82 7.949,83 8.211,84 2.692,85 2.604,86 2.03,87 4.685,88 7.197,89 9.812,90 3.206,91 0.95,92 1,93 4.552,94 40,95 6.531,96 11.716,97 14.93,98 122.678,99 5.027,100 5.511,101 4.984,102 2.327,103 2.327,104 0.551,105 4.5,106 0.844,107 4.673,108 4.673,109 3.111,110 200.109,111 10.155,112 1,113 6.903,114 -0.533,115 -0.533,116 0.886,117 8.063,118 5.389,119 1.168,120 3.401,121 3.401,122 29,123 4.078,124 8.403,125 3.965,126 0.637,127 3.322,128 5.79,129 163,130 0.143,131 30.563,132 3.863,133 46,134 15.097,135 3.89,136 9.609,137 4.301}
{0 CHEMBL2322236,1 4.295,2 12.08,3 5.344,4 7.571,5 3.735,6 0.158,7 3.631,8 20.653,9 4.068,10 3.748,11 3.831,12 3.609,13 3.923,14 3.103,15 3.103,16 6.764,17 3.841,18 2.938,19 4.538,20 4.537,21 0.148,22 3.749,23 0.973,24 0.864,25 1,26 23.343,27 1.054,28 225.252,29 3.49,30 0.662,31 2.757,32 15.196,33 0.312,36 8.379,37 0.998,38 2.866,39 4.565,40 0.12,41 47.527,42 2.971,43 1.154,44 3.556,45 1028,46 15.889,47 18.18,48 14.347,49 14.347,50 14.347,51 14.347,52 14.347,53 12.111,54 4.713,55 3.898,56 -0.386,57 11.541,58 2.735,59 0.158,60 9.23,61 8.548,62 0.827,63 0.827,64 43.65,65 2.136,66 2.136,67 3.305,68 17.654,69 17.654,70 17.654,71 17.654,72 17.654,73 19.592,74 2.978,75 21.228,76 8.283,79 2.484,80 0.226,81 2.777,82 8.052,83 8.314,84 2.686,85 2.583,86 2.033,87 4.831,88 7.486,89 9.532,90 3.206,91 1.034,92 1,93 4.592,94 41,95 6.597,96 11.598,97 15.178,98 126.649,99 5.035,100 5.598,101 5.204,102 2.439,103 2.439,104 0.621,105 4.575,106 0.821,107 4.671,108 4.671,109 3.111,110 200.109,111 10.215,112 1,113 6.932,114 -0.774,115 -0.774,116 0.886,117 8.459,118 5.407,119 1.162,120 3.401,121 3.401,122 29,123 4.078,124 7.83,125 4.001,126 0.691,127 3.423,128 5.808,129 166,130 0.145,131 30.568,132 3.978,133 47,134 15.097,135 3.912,136 9.64,137 6.903}
{0 CHEMBL2322239,1 4.043,2 11.965,3 5.001,4 6.034,5 3.55,6 0.023,7 3.425,8 16.38,9 3.491,10 3.571,11 3.631,12 3.318,13 3.727,14 2.512,15 2.512,16 6.052,17 3.663,18 2.854,19 4.296,20 4.184,21 0.171,22 3.471,23 0.775,24 0.67,25 1,26 18.566,27 0.827,28 183.323,29 3.16,30 0.476,31 2.715,32 13.193,33 0.191,34 -1.308,35 -1.308,36 7.423,37 0.821,38 2.748,39 4.34,40 0.016,41 40.86,42 2.925,43 1.062,44 3.111,45 604,46 13.76,47 15.849,48 12.381,49 12.381,50 12.381,51 12.381,52 12.381,53 10.098,54 4.448,55 3.711,56 -0.822,57 9.913,58 2.589,59 0.184,60 8.273,61 8.412,62 -0.25,63 -0.25,64 37.812,65 -0.642,66 -0.642,67 3.148,68 15.345,69 15.345,70 15.345,71 15.345,72 15.345,73 17.394,74 2.567,75 16.772,76 6.7,77 -0.522,78 -0.522,79 2,80 0.24,81 2.735,82 7.032,83 7.23,84 2.253,85 2.5,86 2.066,87 4.612,88 6.774,89 8.485,90 2.949,91 0.855,92 1,93 4.419,94 35,95 5.739,96 9.958,97 13.262,98 108.935,99 4.83,100 5.409,101 4.927,102 2,103 2,104 0.486,105 4.466,106 0.627,107 3.586,108 3.586,109 2.933,110 176.567,111 10.089,112 0.946,113 6.786,114 -1.625,115 -1.625,116 0.684,117 6.697,118 5.252,119 1.107,120 3.258,121 3.258,122 25,123 3.932,124 6.838,125 3.826,126 -0.225,127 3.002,128 5.666,129 144,130 0.168,131 26.347,132 3.799,133 40,134 12.767,135 3.747,136 8.165,137 6.106}
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{0 CHEMBL2322242,1 3.927,2 11.96,3 4.866,4 5.269,5 3.381,6 0.021,7 3.281,8 15.663,9 3.448,10 3.422,11 3.525,12 3.088,13 3.597,14 2.283,15 2.283,16 5.44,17 3.492,18 2.589,19 4.196,20 4.192,21 0.178,22 3.405,23 0.662,24 0.565,25 1,26 22.246,27 0.727,28 173.063,29 2.95,30 0.407,31 2.353,32 12.693,33 0.174,34 -1.353,35 -1.353,36 7.246,37 0.857,38 2.68,39 4.188,40 0.005,41 37.973,42 2.619,43 1.11,44 2.964,45 512,46 13.182,47 15.142,48 11.881,49 11.881,50 11.881,51 11.881,52 11.881,53 9.745,54 4.344,55 3.61,56 -0.933,57 9.58,58 2.544,59 0.191,60 8.096,61 8.371,62 -0.278,63 -0.278,64 36.49,65 -0.725,66 -0.725,67 3.105,68 14.637,69 14.637,70 14.637,71 14.637,72 14.637,73 16.701,74 2.549,75 15.998,76 6.2,77 -0.55,78 -0.55,79 2,80 0.245,81 2.404,82 6.525,83 6.684,84 2.143,85 2.251,86 2.036,87 4.497,88 6.162,89 8.235,90 2.929,91 0.803,92 1,93 4.358,94 32,95 5.295,96 9.325,97 12.507,98 106.184,99 4.809,100 5.316,101 4.82,102 2,103 2,104 0.463,105 4.394,106 0.595,107 3.523,108 3.523,109 2.915,110 153.024,111 10.046,112 0.808,113 6.749,114 -2.263,115 -2.263,116 0.64,117 5.38,118 5.22,119 1.099,120 3.219,121 3.219,122 24,123 3.892,124 5.837,125 3.758,126 -0.251,127 3.002,128 5.638,129 140,130 0.175,131 24.04,132 3.655,133 37,134 12.02,135 3.693,136 7.788,137 4.523}
{0 CHEMBL2322243,1 4.238,2 12.204,3 5.3,4 7.28,5 3.695,6 0.109,7 3.618,8 20.575,9 4.097,10 3.703,11 3.733,12 3.483,13 3.813,14 3.196,15 3.196,16 7.131,17 3.748,18 2.919,19 4.401,20 4.537,21 0.148,22 3.838,23 0.874,24 0.79,25 1,26 28.095,27 0.894,28 226.488,29 3.376,30 0.556,31 2.732,32 15.397,33 0.272,34 0.985,35 0.985,36 8.988,37 0.996,38 2.866,39 4.453,40 0.04,41 45.539,42 2.939,43 1.152,44 3.471,45 866,46 15.889,47 18.095,48 14.352,49 14.352,50 14.352,51 14.352,52 14.352,53 11.724,54 4.53,55 3.833,56 -0.335,57 11.765,58 3.037,59 0.159,60 9.839,61 8.611,62 0.814,63 0.814,64 44.48,65 2.109,66 2.109,67 3.268,68 17.447,69 17.447,70 17.447,71 17.447,72 17.447,73 20.285,74 2.886,75 19.904,76 7.367,77 0.395,78 0.395,79 2.66,80 0.222,81 2.742,82 7.795,83 7.976,84 2.706,85 2.589,86 2.047,87 4.733,88 7.845,89 10.166,90 3.206,91 0.944,92 1,93 4.541,94 41,95 6.314,96 11.174,97 15.159,98 132.031,99 4.968,100 5.584,101 5.412,102 2.461,103 2.461,104 0.54,105 4.663,106 0.738,107 4.671,108 4.671,109 3.111,110 176.567,111 10.297,112 1.027,113 6.973,114 -0.672,115 -0.672,116 0.794,117 6.713,118 5.425,119 1.153,120 3.401,121 3.401,122 29,123 4.078,124 7.58,125 3.926,126 0.69,127 3.439,128 5.849,129 173,130 0.145,131 28.256,132 3.897,133 44,134 14.135,135 3.865,136 9.283,137 6.318}
{0 CHEMBL2322244,1 4.216,2 12.038,3 5.194,4 7.063,5 3.643,6 0.108,7 3.554,8 18.634,9 3.754,10 3.655,11 3.731,12 3.512,13 3.841,14 2.894,15 2.894,16 6.392,17 3.741,18 2.919,19 4.423,20 4.537,21 0.159,22 3.708,23 0.834,24 0.786,25 1,26 18.748,27 0.93,28 204.616,29 3.375,30 0.582,31 2.715,32 14.278,33 0.28,34 -0.574,35 -0.574,36 7.885,37 0.981,38 2.866,39 4.411,40 0.062,41 44.116,42 2.935,43 1.151,44 3.419,45 808,46 15.105,47 17.346,48 13.275,49 13.275,50 13.275,51 13.275,52 13.275,53 10.889,54 4.593,55 3.822,56 -0.623,57 10.741,58 2.695,59 0.17,60 8.735,61 8.494,62 0.47,63 0.47,64 40.608,65 0.738,66 0.738,67 3.229,68 16.662,69 16.662,70 16.662,71 16.662,72 16.662,73 18.493,74 2.586,75 19.154,76 7.783,77 -0.239,78 -0.239,79 2.231,80 0.233,81 2.735,82 7.468,83 7.711,84 2.538,85 2.5,86 2.055,87 4.789,88 7.114,89 9.304,90 3.206,91 0.935,92 1,93 4.53,94 39,95 6.114,96 10.733,97 14.15,98 118.174,99 4.946,100 5.54,101 5.112,102 2.352,103 2.352,104 0.548,105 4.533,106 0.821,107 4.67,108 4.67,109 3.111,110 200.109,111 10.169,112 1,113 6.868,114 -1.117,115 -1.117,116 0.886,117 7.045,118 5.333,119 1.152,120 3.332,121 3.332,122 27,123 4.007,124 7.186,125 3.926,126 0.405,127 3.315,128 5.746,129 156,130 0.155,131 28.563,132 3.909,133 44,134 14.097,135 3.849,136 8.894,137 6.256}
{0 CHEMBL2322245,1 4.349,2 12.082,3 5.31,4 8.079,5 3.737,6 0.147,7 3.634,8 21.468,9 3.754,10 3.713,11 3.813,12 3.679,13 3.944,14 2.939,15 2.939,16 6.486,17 3.818,18 2.919,19 4.523,20 4.537,21 0.153,22 3.742,23 0.936,24 0.923,25 1,26 19.746,27 1.042,28 216.151,29 3.528,30 0.623,31 2.715,32 14.791,33 0.333,34 -0.568,35 -0.568,36 8.1,37 0.988,38 2.866,39 4.481,40 0.107,41 40.125,42 3.009,43 1.239,44 3.577,45 905,46 15.466,47 17.613,48 13.815,49 13.815,50 13.815,51 13.815,52 13.815,53 11.619,54 4.721,55 3.922,56 -0.61,57 11.32,58 2.702,59 0.164,60 8.951,61 8.546,62 0.788,63 0.788,64 42.701,65 2.098,66 2.098,67 3.268,68 16.999,69 16.999,70 16.999,71 16.999,72 16.999,73 18.898,74 2.628,75 21.017,76 8.817,77 -0.223,78 -0.223,79 2.323,80 0.23,81 2.735,82 7.897,83 8.221,84 2.627,85 2.527,86 4.132,87 4.939,88 7.208,89 9.595,90 3.206,91 1.083,92 1,93 4.647,94 41,95 6.514,96 11.147,97 14.906,98 125.195,99 4.978,100 5.541,101 5.193,102 2.482,103 2.482,104 0.641,105 4.554,106 0.821,107 4.671,108 4.671,109 3.111,110 235.422,111 10.22,112 1,113 6.919,114 -1.184,115 -1.184,116 0.934,117 8.106,118 5.38,119 1.308,120 3.367,121 3.367,122 28,123 4.043,124 7.378,125 4.021,126 0.674,127 3.453,128 5.79,129 163,130 0.15,131 30.875,132 4.034,133 48,134 15.136,135 3.924,136 9.275,137 6.721}
{0 CHEMBL2322246,1 3.082,2 11.495,3 3.79,4 2.961,5 2.85,7 2.625,8 11.134,9 3.247,10 2.919,11 3.019,12 2.12,13 3.112,14 1.758,15 1.758,16 3.944,17 3.042,18 2.353,19 3.786,20 3.43,21 0.225,22 2.741,23 0.413,24 0.241,25 1,26 7.831,27 0.47,28 112.973,29 1.814,30 0.152,31 2.188,32 9.768,33 0.075,34 -3.391,35 -3.391,36 5.235,37 0.325,38 2.298,39 3.788,41 30.844,42 2.404,43 0.744,44 2.01,45 232,46 10.172,47 11.609,48 8.91,49 8.91,50 8.91,51 8.91,52 8.91,53 7.519,54 3.971,55 3.216,56 -2,57 7.451,58 1.544,59 0.247,60 5.958,61 8.051,62 -1,63 -1,64 27.072,65 -2.487,66 -2.487,67 2.855,68 11.069,69 11.069,70 11.069,71 11.069,72 11.069,73 12.425,74 2.134,75 11.536,76 4.867,77 -1.285,78 -1.285,79 1.065,80 0.284,81 2.203,82 5.01,83 5.152,84 1.312,85 2,86 2.044,87 4.21,88 4.429,89 6.045,90 2.612,91 0.657,92 1,93 4.149,94 23,95 4.056,96 6.947,97 9.467,98 77.177,99 4.532,100 4.769,101 3.807,102 1.819,103 1.819,104 0.384,105 3.989,106 0.002,107 2.332,108 2.332,109 2.586,110 129.482,111 9.714,112 -0.302,113 6.438,114 -4.789,115 -4.789,116 0.172,117 4.323,118 4.92,119 0.66,120 2.944,121 2.944,122 18,123 3.611,124 4.409,125 3.528,126 -0.888,127 2.701,128 5.323,129 102,130 0.225,131 18.824,132 3.284,133 29,134 9.457,135 3.454,136 5.936,137 4.301}
{0 CHEMBL2322247,1 4.12,2 12.022,3 5.231,4 6.231,5 3.636,6 0.063,7 3.508,8 16.938,9 3.754,10 3.646,11 3.691,12 3.389,13 3.783,14 2.897,15 2.897,16 6.254,17 3.729,18 2.928,19 4.381,20 4.537,21 0.165,22 3.56,23 0.888,24 0.738,25 1,26 27.749,27 0.933,28 195.287,29 3.252,30 0.532,31 2.745,32 13.714,33 0.245,34 -0.918,35 -0.918,36 7.73,37 0.896,38 2.848,39 4.47,40 0.033,41 44.47,42 2.947,43 1.152,44 3.279,45 692,46 14.182,47 16.316,48 12.864,49 12.864,50 12.864,51 12.864,52 12.864,53 10.732,54 4.538,55 3.77,56 -0.646,57 10.324,58 2.635,59 0.177,60 8.581,61 8.47,62 -0.248,63 -0.248,64 39.447,65 -0.64,66 -0.64,67 3.19,68 15.792,69 15.792,70 15.792,71 15.792,72 15.792,73 17.8,74 2.695,75 17.928,76 6.95,77 -0.405,78 -0.405,79 2,80 0.237,81 2.766,82 7.216,83 7.42,84 2.338,85 2.565,86 2.047,87 4.689,88 6.968,89 8.813,90 3.132,91 0.921,92 1,93 4.467,94 37,95 5.892,96 10.315,97 13.745,98 115.294,99 4.916,100 5.504,101 5.03,102 2.242,103 2.242,104 0.557,105 4.511,106 0.637,107 4.67,108 4.67,109 3.032,110 164.795,111 10.148,112 0.946,113 6.841,114 -1.339,115 -1.339,116 0.697,117 7.679,118 5.303,119 1.156,120 3.296,121 3.296,122 26,123 3.97,124 7.862,125 3.893,126 -0.224,127 3.234,128 5.714,129 151,130 0.161,131 27.352,132 3.857,133 42,134 13.267,135 3.802,136 8.525,137 5.008}
{0 CHEMBL2322331,1 4.813,2 12.32,3 6.183,4 8.828,5 3.946,6 0.274,7 3.911,8 28.63,9 4.54,10 3.966,11 4.022,12 3.838,13 4.062,14 4.541,15 4.541,16 7.537,17 3.986,18 3.111,19 4.864,20 4.985,21 0.146,22 3.978,23 1.581,24 1.669,25 1,26 91.807,27 1.64,28 269.329,29 3.795,30 0.755,31 2.91,32 17.023,33 0.69,34 0.863,35 0.863,36 9.376,37 1.064,38 2.913,39 5.069,40 0.169,41 76.778,42 3.206,43 1.376,44 3.991,45 1320,46 17.003,47 19.691,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 11.574,54 5.065,55 4.086,56 -0.062,57 12.758,58 3.23,59 0.147,60 8.392,61 8.764,62 1,63 1,64 49.522,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 2.96,75 27.514,76 9.679,77 0.325,78 0.325,79 2.709,80 0.22,81 2.941,82 8.909,83 9.111,84 2.879,85 2.916,86 2.005,87 5.246,88 6.969,89 10.927,90 3.258,91 1.835,92 1,93 4.8,94 50,95 7.283,96 12.935,97 16.663,98 151.883,99 5.194,100 5.978,101 5.313,102 2.656,103 2.656,104 0.958,105 4.7,106 0.933,107 5.368,108 5.368,109 3.173,110 280.302,111 10.46,112 1.414,113 7.114,114 -0.131,115 -0.131,116 0.991,117 11.452,118 5.549,119 1.425,120 3.497,121 3.497,122 32,123 4.174,124 8.288,125 4.157,126 0.924,127 3.585,128 5.953,129 192,130 0.134,131 32.358,132 4.124,133 53,134 16.123,135 4.044,136 11.218,137 7.6}
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{0 CHEMBL2322333,1 4.844,2 12.32,3 6.187,4 9.695,5 3.988,6 0.274,7 3.937,8 30.042,9 4.54,10 3.993,11 4.046,12 3.889,13 4.094,14 4.541,15 4.541,16 7.537,17 4.026,18 3.111,19 4.889,20 4.985,21 0.146,22 3.975,23 1.628,24 1.742,25 1,26 95.38,27 1.701,28 269.329,29 3.829,30 0.755,31 2.91,32 16.823,33 0.69,34 0.863,35 0.863,36 9.376,37 1.064,38 2.924,39 5.092,40 0.169,41 77.621,42 3.206,43 1.376,44 3.985,45 1320,46 17.003,47 19.573,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 11.574,54 5.091,55 4.114,56 -0.062,57 12.758,58 3.23,59 0.147,60 8.392,61 8.764,62 1,63 1,64 49.53,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 2.96,75 29.02,76 9.812,77 0.325,78 0.325,79 2.709,80 0.22,81 2.941,82 9.171,83 9.389,84 2.879,85 2.916,87 5.261,88 6.969,89 10.927,90 3.258,91 1.868,92 1,93 4.808,94 50,95 7.509,96 13.032,97 17.046,98 151.883,99 5.184,100 5.981,101 5.313,102 2.656,103 2.656,104 0.954,105 4.7,106 0.95,107 5.368,108 5.368,109 3.173,110 292.073,111 10.46,112 1.414,113 7.114,114 -0.131,115 -0.131,116 1.003,117 12.49,118 5.549,119 1.426,120 3.497,121 3.497,122 32,123 4.174,124 9.139,125 4.162,126 0.943,127 3.595,128 5.953,129 192,130 0.134,131 33.114,132 4.163,133 54,134 16.253,135 4.052,136 11.236,137 6.9}
{0 CHEMBL2322334,1 4.795,2 12.379,3 6.242,4 8.499,5 3.928,6 0.314,7 3.922,8 26.742,9 4.778,10 3.975,11 4.031,12 3.819,13 4.045,14 4.889,15 4.889,16 7.725,17 3.974,18 3.139,19 4.849,20 5.096,21 0.142,22 4.047,23 1.559,24 1.656,25 1,26 114.97,27 1.628,28 283.684,29 3.806,30 0.862,31 2.934,32 17.404,33 0.762,34 0.893,35 0.893,36 9.78,37 1.054,38 2.982,39 5.034,40 0.186,41 106.376,42 3.197,43 1.359,44 4.037,45 1428,46 17.373,47 20.139,48 16.251,49 16.251,50 16.251,51 16.251,52 16.251,53 12.102,54 5.038,55 4.097,56 -0.031,57 12.963,58 3.249,59 0.143,60 8.797,61 8.816,62 1.028,63 1.028,64 51.048,65 2.708,66 2.708,67 3.441,68 19.471,69 19.471,70 19.471,71 19.471,72 19.471,73 21.096,74 3.118,75 27.727,76 9.595,77 0.338,78 0.338,79 2.715,80 0.218,81 2.937,82 8.868,83 9.065,84 2.903,85 2.93,86 1.408,87 5.209,88 7.157,89 11.394,90 3.258,91 1.816,92 1,93 4.765,94 53,95 7.251,96 13.291,97 16.892,98 158.444,99 5.244,100 6.067,101 5.38,102 2.679,103 2.679,104 0.946,105 4.736,106 0.933,107 5.868,108 5.868,109 3.173,110 256.76,111 10.517,112 1.414,113 7.159,114 -0.065,115 -0.065,116 0.991,117 10.349,118 5.587,119 1.381,120 3.526,121 3.526,122 33,123 4.205,124 8.03,125 4.138,126 0.926,127 3.614,128 5.994,129 200,130 0.13,131 32.051,132 4.107,133 52,134 16.324,135 4.034,136 11.631,137 6.8}
{0 CHEMBL2322335,1 4.891,2 12.359,3 6.253,4 9.316,5 4.021,6 0.294,7 3.98,8 31.147,9 4.78,10 4.03,11 4.086,12 3.925,13 4.139,14 4.904,15 4.904,16 7.767,17 4.061,18 3.173,19 4.95,20 5.062,21 0.142,22 4.046,23 1.678,24 1.782,25 1,26 102.022,27 1.747,28 282.425,29 3.885,30 0.817,31 3.007,32 17.509,33 0.771,34 0.867,35 0.867,36 9.68,37 1.127,38 2.982,39 5.135,40 0.202,41 73.903,42 3.258,43 1.418,44 4.06,45 1444,46 17.45,47 20.131,48 16.267,49 16.267,50 16.267,51 16.267,52 16.267,53 12.208,54 5.163,55 4.146,56 -0.062,57 13.241,58 3.251,59 0.143,60 8.696,61 8.805,62 1.027,63 1.027,64 51.179,65 2.507,66 2.507,67 3.441,68 19.419,69 19.419,70 19.419,71 19.419,72 19.419,73 21.096,74 3.136,75 30.098,76 10.512,77 0.326,78 0.326,79 2.714,80 0.218,81 3.03,82 9.284,83 9.547,84 2.901,85 2.932,86 2.023,87 5.322,88 7.198,89 11.254,90 3.346,91 1.896,92 1,93 4.859,94 52,95 7.622,96 13.334,97 17.342,98 158.24,99 5.228,100 6.031,101 5.384,102 2.669,103 2.669,104 0.996,105 4.736,106 0.939,107 6.087,108 6.087,109 3.261,110 303.845,111 10.501,112 1.414,113 7.154,114 -0.131,115 -0.131,116 0.999,117 12.793,118 5.587,119 1.425,120 3.526,121 3.526,122 33,123 4.205,124 9.068,125 4.209,126 0.928,127 3.599,128 5.989,129 199,130 0.13,131 34.12,132 4.193,133 56,134 16.993,135 4.093,136 11.6,137 7.8}
{0 CHEMBL2322336,1 4.61,2 12.225,3 6.05,4 6.635,5 3.758,6 0.259,7 3.752,8 23.502,9 4.407,10 3.822,11 3.907,12 3.614,13 3.941,14 3.84,15 3.84,16 7.015,17 3.825,18 3.111,19 4.737,20 4.801,21 0.149,22 3.878,23 1.371,24 1.352,25 1,26 98.705,27 1.45,28 253.819,29 3.601,30 0.652,31 2.91,32 16.527,33 0.506,34 0.625,35 0.625,36 9.037,37 1.042,38 2.913,39 4.884,40 0.169,41 69.762,42 3.206,43 1.376,44 3.839,45 1178,46 16.556,47 19.176,48 15.3,49 15.3,50 15.3,51 15.3,52 15.3,53 11.035,54 4.95,55 4.006,56 -0.253,57 12.361,58 3.156,59 0.15,60 8.053,61 8.711,62 0.892,63 0.892,64 47.854,65 2.136,66 2.136,67 3.375,68 18.471,69 18.471,70 18.471,71 18.471,72 18.471,73 20.285,74 2.945,75 24.597,76 8.762,77 0.241,78 0.241,79 2.693,80 0.222,81 2.941,82 8.547,83 8.683,84 2.778,85 2.857,86 1.996,87 5.137,88 6.447,89 10.509,90 3.256,91 1.772,92 1,93 4.737,94 47,95 6.966,96 12.521,97 16.024,98 144.95,99 5.161,100 5.895,101 5.231,102 2.651,103 2.651,104 0.921,105 4.615,106 0.863,107 4.946,108 4.946,109 3.168,110 256.76,111 10.4,112 1.212,113 7.067,114 -0.516,115 -0.516,116 0.935,117 8.735,118 5.509,119 1.33,120 3.466,121 3.466,122 31,123 4.143,124 6.613,125 4.102,126 0.808,127 3.578,128 5.911,129 184,130 0.138,131 30.597,132 4.038,133 50,134 15.2,135 3.992,136 10.83,137 7.7}
{0 CHEMBL2322337,1 4.433,2 12.225,3 5.997,4 5.905,5 3.691,6 0.259,7 3.697,8 17.106,9 4.407,10 3.778,11 3.871,12 3.554,13 3.891,14 3.84,15 3.84,16 7.015,17 3.776,18 2.989,19 4.614,20 4.801,21 0.149,22 3.835,23 1.322,24 1.378,25 1,26 90.295,27 1.449,28 253.819,29 3.556,30 0.652,31 2.751,32 16.216,33 0.506,34 0.625,35 0.625,36 9.037,37 0.866,38 2.907,39 4.723,40 0.169,41 61.49,42 3.066,43 1.204,44 3.799,45 1178,46 15.843,47 18.979,48 15.3,49 15.3,50 15.3,51 15.3,52 15.3,53 11.035,54 4.819,55 3.963,56 -0.257,57 11.392,58 3.156,59 0.15,60 8.053,61 8.711,62 0.892,63 0.892,64 47.869,65 2.136,66 2.136,67 3.375,68 18.471,69 18.471,70 18.471,71 18.471,72 18.471,73 20.285,74 2.947,75 21.364,76 8.179,77 0.241,78 0.241,79 2.693,80 0.222,81 2.735,82 8.152,83 8.311,84 2.778,85 2.858,87 4.99,88 6.447,89 10.509,90 3.255,91 1.726,92 1,93 4.562,94 47,95 6.712,96 12.687,97 15.627,98 144.95,99 5.168,100 5.814,101 5.231,102 2.651,103 2.651,104 0.872,105 4.615,106 0.821,107 4.946,108 4.946,109 3.168,110 209.676,111 10.4,112 1.218,113 7.067,114 -0.516,115 -0.516,116 0.886,117 7.054,118 5.509,119 1.187,120 3.466,121 3.466,122 31,123 4.143,124 6.103,125 4.006,126 0.834,127 3.593,128 5.911,129 184,130 0.138,131 29.62,132 3.975,133 46,134 14.773,135 3.904,136 10.778,137 7}
{0 CHEMBL2322338,1 4.565,2 12.205,3 5.669,4 9.053,5 3.99,6 0.146,7 3.896,8 28.522,9 4.217,10 3.957,11 3.926,12 3.867,13 3.996,14 3.446,15 3.446,16 7.197,17 4.006,18 2.899,19 4.679,20 5.02,21 0.156,22 4.109,23 1.181,24 1.001,25 1,26 49.3,27 1.24,28 243.595,29 3.726,30 0.77,31 2.806,32 15.657,33 0.506,34 0.605,35 0.605,36 8.67,37 0.827,38 3.036,39 4.869,40 0.078,41 54.254,42 2.925,43 1.062,44 3.876,45 1093,46 15.65,47 18.84,48 14.727,49 14.727,50 14.727,51 14.727,52 14.727,53 12.47,54 4.857,55 3.944,56 -0.122,57 10.668,58 2.85,59 0.157,60 9.143,61 8.634,62 0.537,63 0.537,64 45.464,65 1.169,66 1.169,67 3.341,68 18.37,69 18.37,70 18.37,71 18.37,72 18.37,73 19.997,74 3.166,75 22.42,76 8.202,77 0.319,78 0.319,79 2.585,80 0.224,81 2.836,82 8.225,83 8.496,84 2.641,85 2.867,87 4.804,88 7.54,89 10.552,90 3.088,91 0.991,93 4.515,94 46,95 6.797,96 12.177,97 15.503,98 134.116,99 5.067,100 5.846,101 5.231,102 2.412,103 2.412,104 0.616,105 4.663,106 0.821,107 5.574,108 5.574,109 3.016,110 176.567,111 10.317,112 1.173,113 6.997,114 -0.212,115 -0.212,116 0.848,117 10.513,118 5.451,119 1.107,120 3.434,121 3.434,122 30,123 4.111,124 8.858,125 3.985,126 0.507,127 3.356,128 5.866,129 176,130 0.141,131 31.523,132 4.015,133 46,134 16.037,135 3.886,136 9.933,137 7.7}
{0 CHEMBL2322339,1 4.757,2 12.205,3 5.733,4 11.068,5 4.071,6 0.146,7 3.964,8 35.422,9 4.217,10 4.016,11 3.986,12 3.973,13 4.074,14 3.446,15 3.446,16 7.197,17 4.079,18 3.063,19 4.821,20 5.02,21 0.156,22 4.14,23 1.309,24 1.133,25 1,26 52.581,27 1.361,28 243.595,29 3.812,30 0.77,31 2.861,32 15.768,33 0.506,34 0.605,35 0.605,36 8.67,37 0.906,38 3.039,39 5.041,40 0.078,41 62.395,42 3.124,43 1.273,44 3.911,45 1093,46 16.363,47 18.92,48 14.727,49 14.727,50 14.727,51 14.727,52 14.727,53 12.47,54 5.011,55 4.018,56 -0.121,57 11.637,58 2.85,59 0.157,60 9.143,61 8.634,62 0.537,63 0.537,64 45.454,65 1.169,66 1.169,67 3.341,68 18.37,69 18.37,70 18.37,71 18.37,72 18.37,73 19.997,74 2.956,75 27.242,76 8.919,77 0.319,78 0.319,79 2.585,80 0.224,81 2.856,82 8.883,83 9.146,84 2.641,85 2.867,87 4.998,88 7.54,89 10.552,90 3.206,91 1.118,93 4.706,94 46,95 7.277,96 12.107,97 16.282,98 134.116,99 5.049,100 5.926,101 5.231,102 2.412,103 2.412,104 0.676,105 4.663,106 0.827,107 5.574,108 5.574,109 3.111,110 235.422,111 10.317,112 1.146,113 6.997,114 -0.212,115 -0.212,116 0.861,117 13.262,118 5.451,119 1.257,120 3.434,121 3.434,122 30,123 4.111,124 10.321,125 4.089,126 0.506,127 3.355,128 5.866,129 176,130 0.141,131 33.256,132 4.116,133 51,134 16.594,135 3.984,136 10.008,137 6.4}
{0 CHEMBL2322340,1 4.606,2 12.367,3 6.155,4 8.333,5 3.851,6 0.194,7 3.899,8 23.792,9 4.543,10 3.978,11 3.944,12 3.7,13 3.935,14 4.423,15 4.423,16 7.55,17 3.9,18 3.009,19 4.741,20 5.02,21 0.147,22 4.438,23 1.596,24 1.314,25 0.83,26 151.556,27 1.746,28 273.352,29 3.724,30 1.126,31 2.806,32 17.505,33 0.763,34 0.95,35 0.95,36 9.061,37 0.827,38 3.09,39 4.955,40 0.103,41 189.897,42 3.074,43 1.199,44 4.256,45 1365,46 17.003,47 19.887,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 12.279,54 4.88,55 3.983,56 -0.048,57 12.758,58 3.226,59 0.15,60 8.865,61 8.764,62 0.981,63 0.981,64 49.68,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 3.019,75 27.459,76 7.964,77 0.383,78 0.383,79 2.65,80 0.22,81 2.837,82 8.416,83 8.549,84 2.861,85 2.867,86 1.833,87 4.944,88 7.312,89 11.002,90 3.206,91 1.674,93 4.665,94 50,95 6.789,96 12.392,97 16.332,98 151.899,99 5.166,100 6.376,101 5.398,102 2.697,103 2.697,104 0.859,105 4.754,106 0.8,107 5.594,108 5.594,109 3.111,110 209.676,111 10.46,112 1.259,113 7.114,114 -0.1,115 -0.1,116 0.847,117 7.455,118 5.549,119 1.144,120 3.497,121 3.497,122 32,123 4.174,124 8.624,125 4.042,126 0.864,127 3.601,128 5.953,129 192,130 0.137,131 30.551,132 4.006,133 47,134 16.391,135 3.95,136 11.42,137 8.2}
{0 CHEMBL2322341,1 4.427,2 12.367,3 6.159,4 6.99,5 3.798,6 0.194,7 3.861,8 15.322,9 4.543,10 3.944,11 3.91,12 3.636,13 3.884,14 4.423,15 4.423,16 7.55,17 3.86,18 2.899,19 4.618,20 5.02,21 0.147,22 4.404,23 1.586,24 1.268,25 1,26 128.896,27 1.682,28 273.352,29 3.675,30 1.126,31 2.766,32 17.194,33 0.763,34 0.95,35 0.95,36 9.061,37 0.821,38 3.09,39 4.795,40 0.103,41 189.336,42 2.925,43 1.062,44 4.223,45 1365,46 16.29,47 19.69,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 12.279,54 4.74,55 3.94,56 -0.048,57 11.788,58 3.226,59 0.15,60 8.865,61 8.764,62 0.981,63 0.981,64 49.709,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 3.262,75 24.066,76 7.381,77 0.383,78 0.383,79 2.65,80 0.22,81 2.735,82 8.021,83 8.176,84 2.861,85 2.867,87 4.763,88 7.312,89 11.002,90 3.05,91 1.627,93 4.476,94 50,95 6.535,96 12.558,97 15.935,98 151.899,99 5.172,100 6.313,101 5.398,102 2.697,103 2.697,104 0.807,105 4.754,106 0.803,107 5.594,108 5.594,109 2.984,110 162.591,111 10.46,112 1.264,113 7.114,114 -0.1,115 -0.1,116 0.847,117 5.976,118 5.549,119 1.066,120 3.497,121 3.497,122 32,123 4.174,124 8.107,125 3.939,126 0.898,127 3.645,128 5.953,129 192,130 0.137,131 29.574,132 3.941,133 43,134 15.964,135 3.858,136 11.375,137 7.1}
{0 CHEMBL2322342,1 4.658,2 12.367,3 6.2,4 9.231,5 3.896,6 0.194,7 3.931,8 26.01,9 4.543,10 4.004,11 3.97,12 3.76,13 3.972,14 4.423,15 4.423,16 7.55,17 3.944,18 3.048,19 4.769,20 5.02,21 0.147,22 4.427,23 1.666,24 1.426,25 0.83,26 169.317,27 1.781,28 273.352,29 3.768,30 1.126,31 2.806,32 17.304,33 0.763,34 0.95,35 0.95,36 9.061,37 0.873,38 3.093,39 4.979,40 0.103,41 199.275,42 3.104,43 1.243,44 4.252,45 1365,46 17.003,47 19.769,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 12.279,54 4.911,55 4.013,56 -0.048,57 12.758,58 3.226,59 0.15,60 8.865,61 8.764,62 0.981,63 0.981,64 49.688,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 3.019,75 28.978,76 8.098,77 0.383,78 0.383,79 2.65,80 0.22,81 2.837,82 8.679,83 8.826,84 2.861,85 2.867,87 4.964,88 7.312,89 11.002,90 3.206,91 1.708,93 4.674,94 50,95 7.016,96 12.489,97 16.714,98 151.899,99 5.156,100 6.353,101 5.398,102 2.697,103 2.697,104 0.853,105 4.754,106 0.827,107 5.594,108 5.594,109 3.111,110 221.447,111 10.46,112 1.26,113 7.114,114 -0.1,115 -0.1,116 0.847,117 8.312,118 5.549,119 1.21,120 3.497,121 3.497,122 32,123 4.174,124 9.436,125 4.048,126 0.879,127 3.643,128 5.953,129 192,130 0.137,131 31.307,132 4.049,133 48,134 16.521,135 3.959,136 11.432,137 7}
{0 CHEMBL2322343,1 4.738,2 12.32,3 6.384,4 7.744,5 3.846,6 0.274,7 3.855,8 26.47,9 4.54,10 3.919,11 3.991,12 3.731,13 4.007,14 4.541,15 4.541,16 7.537,17 3.909,18 3.111,19 4.829,20 4.985,21 0.146,22 3.989,23 1.452,24 1.464,25 1,26 183.472,27 1.545,28 269.329,29 3.731,30 0.755,31 2.91,32 16.893,33 0.69,34 0.863,35 0.863,36 9.376,37 1.046,38 2.924,39 4.986,40 0.169,41 113.062,42 3.206,43 1.376,44 4.015,45 1320,46 17.003,47 19.607,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 11.574,54 5.021,55 4.074,56 -0.062,57 12.758,58 3.23,59 0.147,60 8.392,61 8.764,62 1,63 1,64 49.56,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 2.96,75 27.486,76 9.012,77 0.325,78 0.325,79 2.709,80 0.22,81 2.941,82 8.958,83 9.097,84 2.879,85 2.916,87 5.193,88 6.969,89 10.927,90 3.256,91 1.815,92 1,93 4.755,94 50,95 7.302,96 12.97,97 16.814,98 151.883,99 5.221,100 6.043,101 5.313,102 2.656,103 2.656,104 0.925,105 4.7,106 0.926,107 5.368,108 5.368,109 3.17,110 256.76,111 10.46,112 1.414,113 7.114,114 -0.131,115 -0.131,116 0.984,117 9.442,118 5.549,119 1.335,120 3.497,121 3.497,122 32,123 4.174,124 7.522,125 4.131,126 0.937,127 3.595,128 5.953,129 192,130 0.134,131 31.807,132 4.101,133 52,134 15.7,135 4.03,136 11.281,137 6.2}
{0 CHEMBL2322344,1 4.475,2 12.205,3 5.64,4 7.914,5 3.859,6 0.146,7 3.816,8 23.771,9 4.217,10 3.88,11 3.863,12 3.751,13 3.899,14 3.446,15 3.446,16 7.197,17 3.884,18 2.899,19 4.605,20 5.02,21 0.156,22 4.125,23 1.048,24 0.901,25 1,26 50.385,27 1.122,28 243.595,29 3.648,30 0.77,31 2.806,32 15.84,33 0.506,34 0.605,35 0.605,36 8.67,37 0.827,38 2.966,39 4.724,40 0.078,41 51.846,42 2.925,43 1.062,44 3.87,45 1093,46 15.65,47 19.014,48 14.727,49 14.727,50 14.727,51 14.727,52 14.727,53 12.47,54 4.768,55 3.897,56 -0.122,57 10.668,58 2.85,59 0.157,60 9.143,61 8.634,62 0.537,63 0.537,64 45.387,65 1.169,66 1.169,67 3.341,68 18.37,69 18.37,70 18.37,71 18.37,72 18.37,73 19.997,74 3.166,75 20.809,76 7.869,77 0.319,78 0.319,79 2.585,80 0.224,81 2.82,82 7.756,83 8.006,84 2.641,85 2.867,87 4.695,88 7.54,89 10.552,90 3.087,91 0.929,92 1,93 4.458,94 46,95 6.403,96 12.029,97 15.085,98 134.116,99 5.094,100 5.838,101 5.231,102 2.412,103 2.412,104 0.591,105 4.663,106 0.821,107 5.574,108 5.574,109 3.013,110 153.024,111 10.317,112 1.172,113 6.997,114 -0.212,115 -0.212,116 0.848,117 7.429,118 5.451,119 1.107,120 3.434,121 3.434,122 30,123 4.111,124 7.212,125 3.947,126 0.461,127 3.343,128 5.866,129 176,130 0.141,131 30.216,132 3.944,133 44,134 15.738,135 3.86,136 9.909,137 7.6}
{0 CHEMBL2322345,1 4.513,2 12.163,3 5.599,4 7.692,5 3.835,6 0.136,7 3.76,8 24.818,9 4.16,10 3.85,11 3.855,12 3.702,13 3.927,14 3.387,15 3.387,16 6.969,17 3.886,18 2.965,19 4.66,20 4.981,21 0.161,22 4.03,23 1.085,24 0.908,25 1,26 54.908,27 1.156,28 230.859,29 3.582,30 0.674,31 2.806,32 15.365,33 0.459,34 0.102,35 0.102,36 8.392,37 0.859,38 2.943,39 4.867,40 0.066,41 65.447,42 3.035,43 1.211,44 3.753,45 980,46 15.44,47 18.075,48 14.289,49 14.289,50 14.289,51 14.289,52 14.289,53 12.279,54 4.84,55 3.925,56 -0.409,57 11.211,58 2.749,59 0.162,60 8.865,61 8.609,62 0.408,63 0.408,64 44.259,65 1.018,66 1.018,67 3.305,68 17.499,69 17.499,70 17.499,71 17.499,72 17.499,73 19.304,74 2.945,75 23.846,76 7.752,77 0.043,78 0.043,79 2.369,80 0.228,81 2.837,82 8.163,83 8.364,84 2.609,85 2.867,87 4.883,88 7.312,89 10.222,90 3.167,91 1.047,92 1,93 4.604,94 44,95 6.654,96 11.533,97 15.46,98 131.146,99 5.05,100 5.823,101 5.136,102 2.391,103 2.391,104 0.652,105 4.615,106 0.827,107 5.368,108 5.368,109 3.096,110 176.567,111 10.292,112 1.142,113 6.973,114 -0.779,115 -0.779,116 0.847,117 9.945,118 5.425,119 1.206,120 3.401,121 3.401,122 29,123 4.078,124 7.777,125 4.026,126 0.304,127 3.329,128 5.838,129 171,130 0.146,131 30.739,132 4.018,133 47,134 15.465,135 3.92,136 9.612,137 6.2}
{0 CHEMBL2322346,1 4.831,2 12.262,3 6.111,4 8.88,5 3.912,6 0.269,7 3.883,8 30.878,9 4.474,10 3.93,11 4.002,12 3.82,13 4.041,14 3.984,15 3.984,16 7.34,17 3.944,18 3.167,19 4.841,20 4.825,21 0.144,22 3.957,23 1.536,24 1.549,25 1,26 106.65,27 1.602,28 266.724,29 3.762,30 0.652,31 2.917,32 17.075,33 0.522,34 0.813,35 0.813,36 9.296,37 1.064,38 2.973,39 4.979,40 0.231,41 50.15,42 3.251,43 1.416,44 3.926,45 1297,46 17.478,47 20.178,48 15.737,49 15.737,50 15.737,51 15.737,52 15.737,53 11.226,54 5.055,55 4.07,56 0.216,57 12.79,58 3.17,59 0.145,60 8.313,61 8.733,62 0.953,63 0.953,64 48.959,65 2.136,66 2.136,67 3.409,68 19.342,69 19.342,70 19.342,71 19.342,72 19.342,73 20.978,74 2.955,75 26.414,76 9.729,77 0.425,78 0.425,79 2.763,80 0.218,81 2.941,82 8.856,83 9.045,84 2.88,85 2.858,86 2.096,87 5.223,88 6.772,89 10.839,90 3.263,91 1.806,92 1,93 4.809,94 49,95 7.254,96 12.977,97 16.5,98 147.89,99 5.178,100 5.893,101 5.313,102 2.656,103 2.656,104 0.949,105 4.663,106 1.032,107 5.028,108 5.028,109 3.19,110 292.073,111 10.423,112 1.235,113 7.089,114 0.392,115 0.392,116 1.083,117 10.467,118 5.533,119 1.429,120 3.497,121 3.497,122 32,123 4.174,124 7.86,125 4.156,126 0.852,127 3.582,128 5.938,129 189,130 0.134,131 32.358,132 4.101,133 53,134 16.162,135 4.044,136 11.172,137 6.2}
{0 CHEMBL2322347,1 4.538,2 12.225,3 5.992,4 6.777,5 3.784,6 0.259,7 3.757,8 22.522,9 4.407,10 3.841,11 3.913,12 3.644,13 3.968,14 3.84,15 3.84,16 7.015,17 3.885,18 3.111,19 4.7,20 4.801,21 0.149,22 3.989,23 1.3,24 1.313,25 0.83,26 88.608,27 1.391,28 253.819,29 3.607,30 0.652,31 2.91,32 16.697,33 0.506,34 0.625,35 0.625,36 9.037,37 1.041,38 2.974,39 4.782,40 0.169,41 48.852,42 3.206,43 1.376,44 3.935,45 1178,46 16.556,47 19.258,48 15.3,49 15.3,50 15.3,51 15.3,52 15.3,53 11.406,54 4.909,55 4.015,56 -0.253,57 12.361,58 3.156,59 0.15,60 8.411,61 8.711,62 0.892,63 0.892,64 47.968,65 2.136,66 2.136,67 3.375,68 18.471,69 18.471,70 18.471,71 18.471,72 18.471,73 20.285,74 2.945,75 25.909,76 8.705,77 0.241,78 0.241,79 2.693,80 0.222,81 2.941,82 8.513,83 8.693,84 2.778,85 2.857,86 2.071,87 5.102,88 6.757,89 10.509,90 3.255,91 1.748,92 1,93 4.725,94 47,95 6.928,96 12.31,97 16.09,98 144.95,99 5.108,100 5.803,101 5.231,102 2.651,103 2.651,104 0.901,105 4.615,106 0.863,107 4.946,108 4.946,109 3.168,110 256.76,111 10.4,112 1.189,113 7.067,114 -0.516,115 -0.516,116 0.935,117 8.036,118 5.509,119 1.33,120 3.466,121 3.466,122 31,123 4.143,124 6.774,125 4.077,126 0.772,127 3.576,128 5.911,129 184,130 0.138,131 31,132 4.062,133 49,134 15.887,135 3.968,136 10.8,137 6.2}
{0 CHEMBL2322348,1 4.777,2 12.23,3 6.097,4 9.303,5 3.936,6 0.199,7 3.874,8 28.005,9 4.431,10 3.925,11 3.994,12 3.853,13 4.066,14 4.314,15 4.314,16 7.14,17 3.987,18 3.111,19 4.818,20 4.823,21 0.148,22 3.878,23 1.57,24 1.714,25 1,26 85.573,27 1.667,28 254.025,29 3.774,30 0.692,31 2.91,32 16.258,33 0.6,34 0.576,35 0.576,36 8.992,37 1.064,38 2.882,39 4.983,40 0.169,41 44.556,42 3.206,43 1.376,44 3.905,45 1216,46 16.548,47 19.032,48 15.3,49 15.3,50 15.3,51 15.3,52 15.3,53 11.035,54 5.051,55 4.072,56 -0.174,57 12.36,58 3.125,59 0.15,60 8.009,61 8.709,62 0.837,63 0.837,64 47.82,65 2.136,66 2.136,67 3.375,68 18.471,69 18.471,70 18.471,71 18.471,72 18.471,73 20.285,74 2.925,75 27.551,76 9.695,77 0.224,78 0.224,79 2.565,80 0.222,81 2.941,82 9.032,83 9.258,84 2.79,85 2.904,87 5.233,88 6.572,89 10.516,90 3.258,91 1.857,92 1,93 4.798,94 47,95 7.405,96 12.681,97 16.634,98 145.012,99 5.11,100 5.795,101 5.231,102 2.644,103 2.644,104 0.944,105 4.625,106 0.95,107 5.148,108 5.148,109 3.173,110 303.845,111 10.393,112 1.414,113 7.067,114 -0.362,115 -0.362,116 1.003,117 11.535,118 5.509,119 1.427,120 3.466,121 3.466,122 31,123 4.143,124 8.377,125 4.139,126 0.797,127 3.581,128 5.911,129 184,130 0.138,131 32.66,132 4.14,133 53,134 15.883,135 4.023,136 10.823,137 6.3}
{0 CHEMBL2322349,1 4.975,2 12.408,3 6.402,4 10.253,5 4.074,6 0.303,7 4.066,8 34.132,9 4.674,10 4.093,11 4.125,12 3.967,13 4.145,14 4.623,15 4.623,16 8.023,17 4.106,18 3.172,19 4.918,20 5.221,21 0.138,22 4.131,23 1.736,24 1.824,25 1,26 154.545,27 1.81,28 297.301,29 3.936,30 0.837,31 2.956,32 17.932,33 0.76,34 2.136,35 2.136,36 9.853,37 1.064,38 2.98,39 5.187,40 0.293,41 156.173,42 3.225,43 1.395,44 4.141,45 1562,46 18.118,47 20.857,48 16.768,49 16.768,50 16.768,51 16.768,52 16.768,53 12.505,54 5.111,55 4.167,56 0.315,57 13.534,58 3.247,59 0.139,60 8.869,61 8.825,62 1,63 1,64 52.75,65 2.346,66 2.346,67 3.473,68 20.179,69 20.179,70 20.179,71 20.179,72 20.179,73 21.789,74 3.071,75 30.149,76 10.095,77 0.865,78 0.865,79 2.85,80 0.214,81 2.941,82 9.348,83 9.551,84 3.187,85 2.92,86 1.928,87 5.298,88 7.455,89 11.503,90 3.258,91 1.884,92 1,93 4.828,94 54,95 7.639,96 13.773,97 17.556,98 161.857,99 5.271,100 6.248,101 5.468,102 2.684,103 2.684,104 0.984,105 4.787,106 1.012,107 5.802,108 5.802,109 3.207,110 280.302,111 10.523,112 1.414,113 7.174,114 0.695,115 0.695,116 1.03,117 11.394,118 5.609,119 1.429,120 3.555,121 3.555,122 34,123 4.234,124 9.431,125 4.191,126 0.946,127 3.617,128 6.014,129 204,130 0.127,131 33.813,132 4.186,133 55,134 17.031,135 4.084,136 12.008,137 7.4}
{0 CHEMBL2322350,1 5.039,2 12.408,3 6.388,4 10.809,5 4.118,6 0.303,7 4.088,8 37.575,9 4.674,10 4.111,11 4.14,12 4.024,13 4.172,14 4.623,15 4.623,16 8.023,17 4.137,18 3.172,19 4.943,20 5.221,21 0.138,22 4.126,23 1.834,24 1.897,25 1,26 143.601,27 1.875,28 297.301,29 3.967,30 0.837,31 3.001,32 17.893,33 0.76,34 2.136,35 2.136,36 9.853,37 1.064,38 2.98,39 5.22,40 0.293,41 123.96,42 3.258,43 1.418,44 4.136,45 1562,46 18.118,47 20.831,48 16.768,49 16.768,50 16.768,51 16.768,52 16.768,53 12.505,54 5.146,55 4.176,56 0.315,57 13.534,58 3.247,59 0.139,60 8.869,61 8.825,62 1,63 1,64 52.734,65 2.346,66 2.346,67 3.473,68 20.179,69 20.179,70 20.179,71 20.179,72 20.179,73 21.789,74 3.071,75 30.336,76 10.229,77 0.865,78 0.865,79 2.85,80 0.214,81 2.954,82 9.407,83 9.622,84 3.187,85 2.92,86 1.984,87 5.326,88 7.455,89 11.503,90 3.316,91 1.911,92 1,93 4.85,94 54,95 7.697,96 13.805,97 17.627,98 161.857,99 5.264,100 6.207,101 5.468,102 2.684,103 2.684,104 1.017,105 4.787,106 1.062,107 5.802,108 5.802,109 3.249,110 280.302,111 10.523,112 1.414,113 7.174,114 0.695,115 0.695,116 1.112,117 12.329,118 5.609,119 1.429,120 3.555,121 3.555,122 34,123 4.234,124 9.192,125 4.217,126 0.946,127 3.619,128 6.014,129 204,130 0.127,131 34.364,132 4.203,133 56,134 17.162,135 4.097,136 11.976,137 6.2}
{0 CHEMBL2322351,1 4.815,2 12.355,3 6.248,4 8.734,5 4.016,6 0.284,7 3.983,8 27.345,9 4.569,10 4.031,11 4.072,12 3.897,13 4.112,14 4.563,15 4.563,16 7.81,17 4.066,18 3.136,19 4.842,20 5.039,21 0.142,22 4.03,23 1.726,24 1.786,25 1,26 105.03,27 1.792,28 282.599,29 3.856,30 0.755,31 2.943,32 17.409,33 0.706,34 1.112,35 1.112,36 9.645,37 1.064,38 2.978,39 5.066,40 0.231,41 90.231,42 3.206,43 1.376,44 4.044,45 1444,46 17.834,47 20.529,48 16.221,49 16.221,50 16.221,51 16.221,52 16.221,53 11.766,54 5.048,55 4.127,56 0.259,57 13.009,58 3.247,59 0.143,60 8.661,61 8.785,62 1,63 1,64 50.694,65 2.136,66 2.136,67 3.441,68 19.842,69 19.842,70 19.842,71 19.842,72 19.842,73 21.383,74 3.109,75 27.916,76 9.929,77 0.525,78 0.525,79 2.776,80 0.216,81 2.941,82 9.149,83 9.369,84 2.972,85 2.929,86 2.034,87 5.243,88 7.242,89 11.257,90 3.258,91 1.875,92 1,93 4.797,94 52,95 7.492,96 13.496,97 17.095,98 154.851,99 5.211,100 6.05,101 5.394,102 2.659,103 2.659,104 0.981,105 4.745,106 0.975,107 5.473,108 5.473,109 3.173,110 280.302,111 10.481,112 1.414,113 7.135,114 0.397,115 0.397,116 1.028,117 10.576,118 5.572,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 7.879,125 4.151,126 0.946,127 3.59,128 5.979,129 197,130 0.13,131 33.148,132 4.164,133 53,134 16.623,135 4.037,136 11.556,137 6.6}
{0 CHEMBL2322352,1 4.86,2 12.32,3 6.178,4 9.092,5 4.005,6 0.274,7 3.942,8 30.764,9 4.54,10 3.99,11 4.041,12 3.882,13 4.095,14 4.541,15 4.541,16 7.537,17 4.034,18 3.111,19 4.879,20 4.985,21 0.146,22 3.973,23 1.667,24 1.717,25 1,26 94.099,27 1.732,28 269.329,29 3.821,30 0.755,31 2.91,32 16.986,33 0.69,34 0.863,35 0.863,36 9.376,37 1.064,38 2.935,39 5.173,40 0.169,41 68.763,42 3.206,43 1.376,44 3.987,45 1320,46 17.003,47 19.674,48 15.784,49 15.784,50 15.784,51 15.784,52 15.784,53 11.574,54 5.102,55 4.102,56 -0.062,57 12.758,58 3.23,59 0.147,60 8.392,61 8.764,62 1,63 1,64 49.507,65 2.136,66 2.136,67 3.409,68 18.971,69 18.971,70 18.971,71 18.971,72 18.971,73 20.69,74 2.96,75 27.664,76 9.812,77 0.325,78 0.325,79 2.709,80 0.22,81 2.941,82 8.967,83 9.181,84 2.879,85 2.916,86 2.085,87 5.276,88 6.969,89 10.927,90 3.258,91 1.868,92 1,93 4.824,94 50,95 7.344,96 12.965,97 16.734,98 151.883,99 5.187,100 5.956,101 5.313,102 2.656,103 2.656,104 0.991,105 4.7,106 0.937,107 5.368,108 5.368,109 3.173,110 280.302,111 10.46,112 1.414,113 7.114,114 -0.131,115 -0.131,116 0.997,117 13.289,118 5.549,119 1.429,120 3.497,121 3.497,122 32,123 4.174,124 8.842,125 4.184,126 0.927,127 3.586,128 5.953,129 192,130 0.134,131 32.91,132 4.151,133 54,134 16.253,135 4.057,136 11.185,137 6.8}
{0 CHEMBL2322353,1 4.987,2 12.355,3 6.299,4 10.669,5 4.081,6 0.284,7 4.032,8 35.833,9 4.569,10 4.068,11 4.108,12 3.984,13 4.152,14 4.563,15 4.563,16 7.81,17 4.103,18 3.115,19 4.952,20 5.039,21 0.142,22 4.06,23 1.755,24 1.839,25 1,26 122.421,27 1.828,28 282.599,29 3.917,30 0.755,31 2.91,32 17.251,33 0.706,34 1.112,35 1.112,36 9.645,37 1.064,38 2.971,39 5.228,40 0.231,41 98.045,42 3.206,43 1.376,44 4.069,45 1444,46 17.926,47 20.471,48 16.221,49 16.221,50 16.221,51 16.221,52 16.221,53 11.766,54 5.165,55 4.158,56 0.228,57 13.186,58 3.247,59 0.143,60 8.661,61 8.785,62 1,63 1,64 50.716,65 2.136,66 2.136,67 3.441,68 19.842,69 19.842,70 19.842,71 19.842,72 19.842,73 21.383,74 2.968,75 30.718,76 10.062,77 0.525,78 0.525,79 2.776,80 0.216,81 2.941,82 9.411,83 9.623,84 2.972,85 2.916,87 5.317,88 7.242,89 11.257,90 3.258,91 1.914,92 1,93 4.844,94 52,95 7.719,96 13.479,97 17.477,98 154.851,99 5.247,100 6.101,101 5.394,102 2.659,103 2.659,104 0.998,105 4.745,106 0.95,107 5.473,108 5.473,109 3.173,110 292.073,111 10.481,112 1.414,113 7.135,114 0.397,115 0.397,116 1.004,117 13.706,118 5.572,119 1.429,120 3.526,121 3.526,122 33,123 4.205,124 9.839,125 4.211,126 0.963,127 3.601,128 5.979,129 197,130 0.13,131 34.12,132 4.202,133 56,134 16.753,135 4.094,136 11.574,137 6.6}
{0 CHEMBL2322354,1 5.227,2 12.381,3 6.389,4 14.475,5 4.309,6 0.33,7 4.231,8 44.934,9 4.575,10 4.229,11 4.223,12 4.269,13 4.279,14 4.573,15 4.573,16 8.165,17 4.279,18 3.173,19 5.094,20 5.047,21 0.134,22 4.215,23 2.118,24 2.256,25 1,26 123.67,27 2.124,28 306.23,29 4.165,30 0.912,31 3.008,32 18.401,33 0.806,34 2.136,35 2.136,36 9.973,37 1.129,38 2.986,39 5.375,40 0.268,41 71.256,42 3.258,43 1.418,44 4.217,45 1780,46 19.34,47 21.92,48 17.259,49 17.259,50 17.259,51 17.259,52 17.259,53 12.5,54 5.311,55 4.233,56 0.476,57 14.247,58 3.247,59 0.135,60 8.99,61 8.807,62 1.028,63 1.028,64 53.236,65 2.45,66 2.45,67 3.503,68 21.256,69 21.256,70 21.256,71 21.256,72 21.256,73 22.77,74 2.973,75 34.336,76 11.062,77 1,78 1,79 2.891,80 0.21,81 3.03,82 10.329,83 10.558,84 3.203,85 2.916,87 5.41,88 7.597,89 11.661,90 3.376,91 2.028,92 1,93 4.959,94 54,95 8.464,96 14.481,97 18.736,98 160.019,99 5.279,100 6.158,101 5.501,102 2.66,103 2.66,104 1.072,105 4.787,106 1.064,107 5.511,108 5.511,109 3.324,110 339.158,111 10.498,112 1.414,113 7.166,114 0.973,115 0.973,116 1.153,117 18.03,118 5.617,119 1.429,120 3.584,121 3.584,122 35,123 4.263,124 12.433,125 4.306,126 0.963,127 3.602,128 6.019,129 205,130 0.123,131 37.642,132 4.289,133 62,134 18.167,135 4.185,136 12.342,137 6.2}
{0 CHEMBL2322355,1 5.121,2 12.4,3 6.433,4 12.271,5 4.225,6 0.376,7 4.176,8 38.39,9 4.67,10 4.181,11 4.191,12 4.173,13 4.223,14 4.745,15 4.745,16 8.147,17 4.206,18 3.173,19 5.033,20 5.09,21 0.134,22 4.205,23 1.999,24 2.101,25 1,26 141.801,27 2.015,28 308.369,29 4.107,30 1.15,31 3.007,32 18.488,33 0.768,34 2.136,35 2.136,36 10.052,37 1.127,38 2.984,39 5.293,40 0.256,41 68.681,42 3.258,43 1.418,44 4.205,45 1754,46 18.71,47 21.529,48 17.294,49 17.294,50 17.294,51 17.294,52 17.294,53 12.987,54 5.246,55 4.2,56 0.408,57 13.986,58 3.252,59 0.135,60 9.068,61 8.826,62 1.03,63 1.03,64 53.854,65 2.629,66 2.629,67 3.503,68 20.833,69 20.833,70 20.833,71 20.833,72 20.833,73 22.482,74 3.178,75 32.11,76 11.145,77 1,78 1,79 2.923,80 0.211,81 3.03,82 9.803,83 10.076,84 3.247,85 2.956,86 2.052,87 5.361,88 7.579,89 11.507,90 3.375,91 1.963,92 1,93 4.913,94 54,95 8.051,96 14.252,97 18.167,98 163.637,99 5.278,100 6.135,101 5.513,102 2.664,103 2.664,104 1.054,105 4.796,106 1.064,107 5.701,108 5.701,109 3.322,110 315.616,111 10.516,112 1.479,113 7.185,114 0.931,115 0.931,116 1.153,117 15.004,118 5.631,119 1.429,120 3.584,121 3.584,122 35,123 4.263,124 10.52,125 4.265,126 0.946,127 3.594,128 6.028,129 207,130 0.123,131 36.125,132 4.238,133 59,134 18.084,135 4.144,136 12.333,137 6.2}
{0 CHEMBL2322356,1 5.109,2 12.4,3 6.466,4 10.696,5 4.184,6 0.376,7 4.146,8 38.245,9 4.67,10 4.156,11 4.172,12 4.11,13 4.197,14 4.745,15 4.745,16 8.147,17 4.171,18 3.173,19 5.012,20 5.09,21 0.134,22 4.209,23 1.933,24 2.001,25 1,26 164.223,27 1.946,28 308.369,29 4.068,30 1.15,31 3.007,32 18.532,33 0.768,34 2.136,35 2.136,36 10.052,37 1.122,38 2.983,39 5.271,40 0.256,41 75.747,42 3.258,43 1.418,44 4.21,45 1754,46 18.71,47 21.558,48 17.294,49 17.294,50 17.294,51 17.294,52 17.294,53 12.987,54 5.225,55 4.189,56 0.408,57 13.986,58 3.252,59 0.135,60 9.068,61 8.826,62 1.03,63 1.03,64 53.874,65 2.629,66 2.629,67 3.503,68 20.833,69 20.833,70 20.833,71 20.833,72 20.833,73 22.482,74 3.178,75 31.316,76 10.479,77 1,78 1,79 2.923,80 0.211,81 3.03,82 9.648,83 9.855,84 3.247,85 2.956,86 2.011,87 5.354,88 7.579,89 11.507,90 3.373,91 1.94,92 1,93 4.887,94 54,95 7.905,96 14.218,97 18.007,98 163.637,99 5.305,100 6.145,101 5.513,102 2.664,103 2.664,104 1.053,105 4.796,106 1.064,107 5.701,108 5.701,109 3.317,110 280.302,111 10.516,112 1.478,113 7.185,114 0.931,115 0.931,116 1.153,117 14.231,118 5.631,119 1.429,120 3.584,121 3.584,122 35,123 4.263,124 9.817,125 4.262,126 0.946,127 3.593,128 6.028,129 207,130 0.123,131 35.37,132 4.222,133 58,134 17.662,135 4.136,136 12.319,137 6.2}
{0 CHEMBL2322660,1 5.185,2 12.433,3 6.195,4 13.749,5 4.24,6 0.344,7 4.225,8 36.394,9 4.433,10 4.166,11 4.158,12 4.387,13 4.155,14 4.151,15 4.151,16 9.388,17 4.136,18 3.111,19 5.051,20 5.585,21 0.122,22 4.36,23 2.092,24 2.335,25 0.67,26 79.376,27 2.15,28 341.56,29 4.318,30 1.126,31 2.91,32 20.307,33 0.672,34 2.519,35 2.519,36 10.939,37 1.064,38 2.996,39 5.276,40 0.268,41 89.58,42 3.206,43 1.376,44 4.326,45 2100,46 21.453,47 24.256,48 18.714,49 18.714,50 18.714,51 18.714,52 18.714,53 13.945,54 5.285,55 4.185,56 1,57 15.643,58 3.49,59 0.124,60 10.57,61 8.849,62 1.04,63 1.04,64 57.745,65 2.608,66 2.608,67 3.561,68 23.3,69 23.3,70 23.3,71 23.3,72 23.3,73 25.66,74 3.081,75 31.427,76 10.469,77 1,78 1,79 3.287,80 0.197,81 2.941,82 10.754,83 10.83,84 3.414,85 2.937,86 5.573,87 5.31,88 8.736,89 12.997,90 3.487,91 1.743,93 5.013,94 58,95 8.724,96 15.457,97 19.68,98 168.977,99 5.338,100 6.25,101 5.756,102 2.606,103 2.606,104 1.081,105 4.927,106 1.064,107 7.122,108 7.122,109 3.417,110 300.656,111 10.524,112 1.432,113 7.22,114 2.275,115 2.275,116 1.153,117 13.255,118 5.68,119 1.429,120 3.664,121 3.664,122 38,123 4.344,124 8.94,125 4.353,126 0.965,127 3.53,128 6.094,129 221,130 0.112,131 37.688,132 4.194,133 63,134 18.478,135 4.221,136 12.783,137 6.959}
{0 CHEMBL2322661,1 5.329,2 12.463,3 6.323,4 15.721,5 4.358,6 0.384,7 4.338,8 44.287,9 4.675,10 4.267,11 4.236,12 4.479,13 4.228,14 4.993,15 4.993,16 9.981,17 4.233,18 3.309,19 5.125,20 5.586,21 0.113,22 4.449,23 2.306,24 2.518,25 0.67,26 111.893,27 2.319,28 375.747,29 4.398,30 1.228,31 3.094,32 21.865,33 0.731,34 2.611,35 2.611,36 11.438,37 1.182,38 3.21,39 5.378,40 0.276,41 112.441,42 3.359,43 1.503,44 4.39,45 2733,46 22.945,47 25.965,48 20.269,49 20.269,50 20.269,51 20.269,52 20.269,53 15.508,54 5.344,55 4.254,56 1.161,57 16.901,58 3.587,59 0.115,60 11.069,61 8.895,62 1.196,63 1.196,64 62.363,65 3.161,66 3.161,67 3.643,68 24.999,69 24.999,70 24.999,71 24.999,72 24.999,73 27.452,74 3.499,75 35.277,76 11.802,77 1.039,78 1.039,79 3.414,80 0.191,81 3.075,82 11.569,83 11.709,84 3.49,85 3.08,86 5.501,87 5.393,88 9.329,89 13.552,90 3.517,91 1.845,93 5.088,94 61,95 9.414,96 16.705,97 21.118,98 180.73,99 5.418,100 6.383,101 5.805,102 2.615,103 2.615,104 1.15,105 4.97,106 1.064,107 7.123,108 7.123,109 3.463,110 335.969,111 10.561,112 1.502,113 7.28,114 2.519,115 2.519,116 1.153,117 15.02,118 5.753,119 1.503,120 3.738,121 3.738,122 41,123 4.419,124 10.567,125 4.422,126 1.092,127 3.538,128 6.155,129 235,130 0.103,131 40.904,132 4.264,133 68,134 20.309,135 4.295,136 13.92,137 7.585}
{0 CHEMBL2322662,1 5.201,2 12.462,3 6.216,4 14.006,5 4.283,6 0.363,7 4.257,8 37.435,9 4.721,10 4.222,11 4.216,12 4.41,13 4.223,14 4.838,15 4.838,16 9.512,17 4.218,18 3.111,19 5.152,20 5.587,21 0.119,22 4.376,23 2.167,24 2.392,25 0.67,26 73.327,27 2.272,28 354.824,29 4.343,30 1.166,31 2.91,32 20.864,33 0.734,34 2.519,35 2.519,36 11.107,37 1.064,38 3.003,39 5.382,40 0.313,41 97.916,42 3.206,43 1.376,44 4.357,45 2254,46 21.815,47 24.611,48 19.25,49 19.25,50 19.25,51 19.25,52 19.25,53 14.662,54 5.397,55 4.23,56 1,57 16.215,58 3.491,59 0.121,60 10.738,61 8.885,62 1.064,63 1.064,64 59.885,65 2.621,66 2.621,67 3.589,68 23.637,69 23.637,70 23.637,71 23.637,72 23.637,73 26.065,74 3.118,75 34.052,76 11.302,77 1,78 1,79 3.288,80 0.196,81 2.941,82 11.135,83 11.27,84 3.414,85 2.971,86 5.598,87 5.338,88 8.86,89 13.343,90 3.506,91 1.815,93 5.061,94 60,95 9.07,96 15.838,97 20.355,98 176.032,99 5.366,100 6.285,101 5.781,102 2.652,103 2.652,104 1.121,105 4.942,106 1.064,107 7.129,108 7.129,109 3.446,110 324.198,111 10.56,112 1.432,113 7.256,114 2.275,115 2.275,116 1.153,117 15.165,118 5.714,119 1.429,120 3.689,121 3.689,122 39,123 4.369,124 9.76,125 4.396,126 0.965,127 3.569,128 6.125,129 228,130 0.109,131 39.449,132 4.243,133 66,134 19.348,135 4.262,136 13.173,137 6.31}
{0 CHEMBL2322663,1 5.201,2 12.462,3 6.216,4 14.006,5 4.283,6 0.363,7 4.257,8 37.435,9 4.721,10 4.222,11 4.216,12 4.41,13 4.223,14 4.838,15 4.838,16 9.512,17 4.218,18 3.111,19 5.152,20 5.587,21 0.119,22 4.376,23 2.167,24 2.392,25 0.67,26 73.327,27 2.272,28 354.824,29 4.343,30 1.166,31 2.91,32 20.864,33 0.734,34 2.519,35 2.519,36 11.107,37 1.064,38 3.003,39 5.382,40 0.313,41 97.916,42 3.206,43 1.376,44 4.357,45 2254,46 21.815,47 24.611,48 19.25,49 19.25,50 19.25,51 19.25,52 19.25,53 14.662,54 5.397,55 4.23,56 1,57 16.215,58 3.491,59 0.121,60 10.738,61 8.885,62 1.064,63 1.064,64 59.885,65 2.621,66 2.621,67 3.589,68 23.637,69 23.637,70 23.637,71 23.637,72 23.637,73 26.065,74 3.118,75 34.052,76 11.302,77 1,78 1,79 3.288,80 0.196,81 2.941,82 11.135,83 11.27,84 3.414,85 2.971,86 5.598,87 5.338,88 8.86,89 13.343,90 3.506,91 1.815,93 5.061,94 60,95 9.07,96 15.838,97 20.355,98 176.032,99 5.366,100 6.285,101 5.781,102 2.652,103 2.652,104 1.121,105 4.942,106 1.064,107 7.129,108 7.129,109 3.446,110 324.198,111 10.56,112 1.432,113 7.256,114 2.275,115 2.275,116 1.153,117 15.165,118 5.714,119 1.429,120 3.689,121 3.689,122 39,123 4.369,124 9.76,125 4.396,126 0.965,127 3.569,128 6.125,129 228,130 0.109,131 39.449,132 4.243,133 66,134 19.348,135 4.262,136 13.173,137 7.155}
{0 CHEMBL2322664,1 5.41,2 12.564,3 6.376,4 17.991,5 4.504,6 0.425,7 4.462,8 47.243,9 4.95,10 4.419,11 4.396,12 4.617,13 4.413,14 5.512,15 5.512,16 11.225,17 4.424,18 3.44,19 5.327,20 5.588,21 0.101,22 4.535,23 2.694,24 2.889,25 0.5,26 81.345,27 2.749,28 435.233,29 4.528,30 1.309,31 3.242,32 24.353,33 0.762,34 3.046,35 3.046,36 13.191,37 1.281,38 3.356,39 5.56,40 0.313,41 111.682,42 3.502,43 1.616,44 4.495,45 3699,46 25.494,47 29.033,48 22.743,49 22.743,50 22.743,51 22.743,52 22.743,53 17.135,54 5.565,55 4.397,56 1.5,57 18.681,58 3.675,59 0.103,60 12.822,61 9.018,62 1.43,63 1.43,64 69.928,65 3.223,66 3.223,67 3.742,68 28.068,69 28.068,70 28.068,71 28.068,72 28.068,73 31.323,74 3.511,75 39.926,76 12.719,77 1.29,78 1.29,79 3.491,80 0.179,81 3.211,82 13.222,83 13.365,84 3.587,85 3.141,86 5.665,87 5.517,88 10.573,89 15.619,90 3.58,91 2.148,93 5.176,94 69,95 10.777,96 18.898,97 24.178,98 202.298,99 5.504,100 6.456,101 5.886,102 2.674,103 2.674,104 1.296,105 5.075,106 1.064,107 7.196,108 7.196,109 3.52,110 371.282,111 10.682,112 1.622,113 7.399,114 2.621,115 2.621,116 1.153,117 18.903,118 5.866,119 1.571,120 3.85,121 3.85,122 46,123 4.533,124 12.997,125 4.532,126 1.38,127 3.597,128 6.275,129 265,130 0.092,131 46.972,132 4.43,133 77,134 22.442,135 4.404,136 15.425,137 5.658}
{0 CHEMBL2322665,1 5.41,2 12.564,3 6.376,4 17.991,5 4.504,6 0.425,7 4.462,8 47.243,9 4.95,10 4.419,11 4.396,12 4.617,13 4.413,14 5.512,15 5.512,16 11.225,17 4.424,18 3.44,19 5.327,20 5.588,21 0.101,22 4.535,23 2.694,24 2.889,25 0.5,26 81.345,27 2.749,28 435.233,29 4.528,30 1.309,31 3.242,32 24.353,33 0.762,34 3.046,35 3.046,36 13.191,37 1.281,38 3.356,39 5.56,40 0.313,41 111.682,42 3.502,43 1.616,44 4.495,45 3699,46 25.494,47 29.033,48 22.743,49 22.743,50 22.743,51 22.743,52 22.743,53 17.135,54 5.565,55 4.397,56 1.5,57 18.681,58 3.675,59 0.103,60 12.822,61 9.018,62 1.43,63 1.43,64 69.928,65 3.223,66 3.223,67 3.742,68 28.068,69 28.068,70 28.068,71 28.068,72 28.068,73 31.323,74 3.511,75 39.926,76 12.719,77 1.29,78 1.29,79 3.491,80 0.179,81 3.211,82 13.222,83 13.365,84 3.587,85 3.141,86 5.665,87 5.517,88 10.573,89 15.619,90 3.58,91 2.148,93 5.176,94 69,95 10.777,96 18.898,97 24.178,98 202.298,99 5.504,100 6.456,101 5.886,102 2.674,103 2.674,104 1.296,105 5.075,106 1.064,107 7.196,108 7.196,109 3.52,110 371.282,111 10.682,112 1.622,113 7.399,114 2.621,115 2.621,116 1.153,117 18.903,118 5.866,119 1.571,120 3.85,121 3.85,122 46,123 4.533,124 12.997,125 4.532,126 1.38,127 3.597,128 6.275,129 265,130 0.092,131 46.972,132 4.43,133 77,134 22.442,135 4.404,136 15.425,137 5.444}
{0 CHEMBL2322666,1 5.421,2 12.52,3 6.332,4 16.951,5 4.473,6 0.363,7 4.405,8 51.978,9 4.755,10 4.368,11 4.351,12 4.541,13 4.378,14 5.005,15 5.005,16 9.914,17 4.384,18 3.332,19 5.284,20 5.601,21 0.111,22 4.455,23 2.529,24 2.665,25 0.67,26 81.281,27 2.577,28 392.465,29 4.443,30 1.207,31 3.11,32 22.236,33 0.806,34 2.615,35 2.615,36 11.882,37 1.213,38 3.191,39 5.599,40 0.338,41 107.01,42 3.411,43 1.56,44 4.414,45 2900,46 23.892,47 26.676,48 20.628,49 20.628,50 20.628,51 20.628,52 20.628,53 15.663,54 5.521,55 4.374,56 1.163,57 17.603,58 3.587,59 0.112,60 11.513,61 8.953,62 1.229,63 1.229,64 63.859,65 3.194,66 3.194,67 3.668,68 25.714,69 25.714,70 25.714,71 25.714,72 25.714,73 27.857,74 3.381,75 41.167,76 13.136,77 1.051,78 1.051,79 3.414,80 0.189,81 3.104,82 12.51,83 12.719,84 3.491,85 3.065,86 5.69,87 5.59,88 9.262,89 14.663,90 3.52,91 2.014,93 5.191,94 66,95 10.262,96 17.293,97 22.39,98 187.968,99 5.443,100 6.401,101 5.823,102 2.685,103 2.685,104 1.24,105 4.984,106 1.064,107 7.172,108 7.172,109 3.464,110 394.824,111 10.627,112 1.496,113 7.326,114 2.519,115 2.519,116 1.153,117 21.103,118 5.784,119 1.559,120 3.761,121 3.761,122 42,123 4.443,124 13.297,125 4.515,126 1.127,127 3.6,128 6.196,129 245,130 0.101,131 44.733,132 4.412,133 75,134 21.633,135 4.377,136 14.331,137 6}
{0 CHEMBL2322667,1 5.43,2 12.587,3 6.474,4 18.075,5 4.513,6 0.465,7 4.477,8 47.791,9 5.053,10 4.43,11 4.406,12 4.626,13 4.422,14 5.968,15 5.968,16 11.516,17 4.43,18 3.442,19 5.337,20 5.588,21 0.099,22 4.566,23 2.702,24 2.906,25 0.5,26 117.459,27 2.749,28 448.264,29 4.544,30 1.389,31 3.243,32 24.9,33 0.818,34 3.22,35 3.22,36 13.333,37 1.281,38 3.361,39 5.575,40 0.322,41 126.739,42 3.502,43 1.617,44 4.534,45 3976,46 25.917,47 29.521,48 23.21,49 23.21,50 23.21,51 23.21,52 23.21,53 17.757,54 5.569,55 4.414,56 1.5,57 19.086,58 4.003,59 0.1,60 12.964,61 9.049,62 1.478,63 1.478,64 71.578,65 3.734,66 3.734,67 3.765,68 28.515,69 28.515,70 28.515,71 28.515,72 28.515,73 31.728,74 3.514,75 41.136,76 12.836,77 1.312,78 1.312,79 3.51,80 0.178,81 3.211,82 13.349,83 13.484,84 3.587,85 3.425,86 5.581,87 5.533,88 10.864,89 16.03,90 3.58,91 2.155,93 5.183,94 71,95 10.865,96 19.221,97 24.59,98 208.522,99 5.554,100 6.507,101 5.897,102 2.682,103 2.682,104 1.303,105 5.1,106 1.064,107 7.302,108 7.302,109 3.522,110 359.511,111 10.713,112 1.771,113 7.43,114 2.624,115 2.624,116 1.153,117 19.026,118 5.894,119 1.571,120 3.871,121 3.871,122 47,123 4.554,124 13.158,125 4.548,126 1.387,127 3.617,128 6.301,129 272,130 0.09,131 47.427,132 4.444,133 78,134 22.812,135 4.423,136 15.798,137 5.921}
{0 CHEMBL2322668,1 5.299,2 12.534,3 6.243,4 15.199,5 4.388,6 0.332,7 4.337,8 43.899,9 4.744,10 4.315,11 4.281,12 4.464,13 4.282,14 4.97,15 4.97,16 10.21,17 4.322,18 3.208,19 5.199,20 5.588,21 0.111,22 4.42,23 2.382,24 2.515,25 0.5,26 68.643,27 2.473,28 387.505,29 4.386,30 1.154,31 2.99,32 22.448,33 0.749,34 2.611,35 2.611,36 12.431,37 1.276,38 3.124,39 5.513,40 0.29,41 103.1,42 3.255,43 1.616,44 4.387,45 2646,46 23.677,47 26.511,48 20.77,49 20.77,50 20.77,51 20.77,52 20.77,53 15.463,54 5.427,55 4.282,56 1.161,57 17.748,58 3.587,59 0.112,60 12.062,61 8.947,62 1.202,63 1.202,64 64.336,65 2.953,66 2.953,67 3.643,68 25.499,69 25.499,70 25.499,71 25.499,72 25.499,73 28.838,74 3.252,75 36.912,76 11.719,77 1.049,78 1.049,79 3.414,80 0.186,81 2.962,82 12.314,83 12.4,84 3.49,85 3.048,86 5.843,87 5.391,88 9.558,89 14.435,90 3.516,91 1.991,93 5.148,94 62,95 9.984,96 16.97,97 22.414,98 188.079,99 5.381,100 6.341,101 5.864,102 2.672,103 2.672,104 1.204,105 5.011,106 1.064,107 7.137,108 7.137,109 3.461,110 359.511,111 10.62,112 1.442,113 7.322,114 2.519,115 2.519,116 1.153,117 18.365,118 5.784,119 1.57,120 3.761,121 3.761,122 42,123 4.443,124 11.828,125 4.46,126 1.111,127 3.586,128 6.201,129 246,130 0.101,131 42.211,132 4.295,133 71,134 20.392,135 4.329,136 13.962,137 6.409}
{0 CHEMBL2322669,1 5.424,2 12.498,3 6.37,4 16.996,5 4.473,6 0.388,7 4.422,8 50.964,9 4.738,10 4.381,11 4.359,12 4.576,13 4.383,14 4.94,15 4.94,16 10.15,17 4.394,18 3.434,19 5.33,20 5.587,21 0.108,22 4.499,23 2.517,24 2.73,25 0.67,26 86.325,27 2.585,28 399.798,29 4.486,30 1.227,31 3.224,32 22.851,33 0.778,34 2.621,35 2.621,36 12.007,37 1.276,38 3.316,39 5.61,40 0.334,41 132.06,42 3.502,43 1.62,44 4.461,45 3254,46 24.806,47 27.613,48 21.209,49 21.209,50 21.209,51 21.209,52 21.209,53 15.891,54 5.576,55 4.362,56 1.169,57 18.18,58 3.587,59 0.11,60 11.637,61 8.932,62 1.319,63 1.319,64 64.863,65 3.104,66 3.104,67 3.693,68 26.629,69 26.629,70 26.629,71 26.629,72 26.629,73 28.838,74 3.162,75 41.271,76 12.636,77 1.072,78 1.072,79 3.414,80 0.186,81 3.201,82 12.884,83 12.996,84 3.491,85 3.02,86 5.659,87 5.551,88 9.498,89 14.453,90 3.563,91 2.03,93 5.213,94 65,95 10.52,96 17.833,97 22.858,98 186.518,99 5.481,100 6.482,101 5.829,102 2.661,103 2.661,104 1.269,105 4.99,106 1.064,107 7.131,108 7.131,109 3.494,110 383.053,111 10.598,112 1.559,113 7.315,114 2.519,115 2.519,116 1.153,117 20.301,118 5.79,119 1.574,120 3.784,121 3.784,122 43,123 4.466,124 12.561,125 4.549,126 1.229,127 3.576,128 6.196,129 245,130 0.099,131 45.739,132 4.397,133 77,134 21.754,135 4.407,136 14.695,137 6.174}
{0 CHEMBL2322670,1 5.239,2 12.442,3 6.202,4 14.266,5 4.301,6 0.344,7 4.271,8 40.27,9 4.44,10 4.223,11 4.204,12 4.42,13 4.207,14 4.209,15 4.209,16 9.555,17 4.206,18 3.121,19 5.111,20 5.585,21 0.119,22 4.385,23 2.201,24 2.401,25 0.67,26 75.335,27 2.266,28 352.749,29 4.346,30 1.146,31 2.91,32 20.856,33 0.7,34 2.519,35 2.519,36 11.297,37 1.064,38 3.022,39 5.392,40 0.276,41 102.604,42 3.206,43 1.376,44 4.34,45 2283,46 22.16,47 24.972,48 19.252,49 19.252,50 19.252,51 19.252,52 19.252,53 14.325,54 5.343,55 4.221,56 1,57 16.204,58 3.49,59 0.121,60 10.928,61 8.86,62 1.062,63 1.062,64 59.206,65 2.614,66 2.614,67 3.589,68 24.007,69 24.007,70 24.007,71 24.007,72 24.007,73 26.353,74 3.084,75 33.394,76 10.969,77 1,78 1,79 3.287,80 0.195,81 2.941,82 11.246,83 11.33,84 3.414,85 2.937,86 5.676,87 5.342,88 8.902,89 13.097,90 3.509,91 1.806,93 5.061,94 59,95 9.135,96 15.952,97 20.346,98 171.858,99 5.362,100 6.313,101 5.768,102 2.61,103 2.61,104 1.121,105 4.942,106 1.064,107 7.123,108 7.123,109 3.448,110 324.198,111 10.533,112 1.432,113 7.235,114 2.275,115 2.275,116 1.153,117 15.34,118 5.7,119 1.429,120 3.689,121 3.689,122 39,123 4.369,124 9.962,125 4.396,126 0.965,127 3.534,128 6.111,129 225,130 0.109,131 39.449,132 4.235,133 66,134 19.185,135 4.262,136 13.168,137 7.237}
{0 CHEMBL2322671,1 5.275,2 12.477,3 6.237,4 14.801,5 4.354,6 0.363,7 4.308,8 42.62,9 4.736,10 4.277,11 4.263,12 4.447,13 4.277,14 4.922,15 4.922,16 9.648,17 4.282,18 3.174,19 5.186,20 5.587,21 0.116,22 4.4,23 2.291,24 2.466,25 0.67,26 69.69,27 2.382,28 366.836,29 4.371,30 1.186,31 2.91,32 21.336,33 0.762,34 2.519,35 2.519,36 11.399,37 1.064,38 3.03,39 5.485,40 0.322,41 102.826,42 3.272,43 1.453,44 4.374,45 2424,46 22.685,47 25.545,48 19.671,49 19.671,50 19.671,51 19.671,52 19.671,53 14.804,54 5.423,55 4.279,56 1,57 16.642,58 3.511,59 0.118,60 11.03,61 8.902,62 1.073,63 1.073,64 60.775,65 2.624,66 2.624,67 3.616,68 24.507,69 24.507,70 24.507,71 24.507,72 24.507,73 26.759,74 3.144,75 35.716,76 12.219,77 1,78 1,79 3.414,80 0.193,81 2.941,82 11.525,83 11.71,84 3.484,85 3.002,86 5.735,87 5.438,88 8.996,89 13.833,90 3.511,91 1.869,93 5.114,94 62,95 9.423,96 16.328,97 20.917,98 178.483,99 5.382,100 6.33,101 5.793,102 2.659,103 2.659,104 1.158,105 4.956,106 1.064,107 7.131,108 7.131,109 3.452,110 359.511,111 10.577,112 1.433,113 7.274,114 2.275,115 2.275,116 1.153,117 17.677,118 5.733,119 1.494,120 3.714,121 3.714,122 40,123 4.394,124 11.176,125 4.437,126 0.965,127 3.574,128 6.146,129 233,130 0.106,131 41.211,132 4.3,133 69,134 20.271,135 4.302,136 13.549,137 6.538}
{0 CHEMBL2322672,1 5.33,2 12.461,3 6.249,4 15.339,5 4.383,6 0.344,7 4.329,8 46.78,9 4.704,10 4.278,11 4.237,12 4.46,13 4.23,14 4.94,15 4.94,16 9.673,17 4.27,18 3.212,19 5.125,20 5.586,21 0.116,22 4.409,23 2.338,24 2.482,25 0.67,26 76.407,27 2.369,28 365.374,29 4.374,30 1.167,31 2.965,32 21.521,33 0.728,34 2.59,35 2.59,36 11.542,37 1.064,38 3.098,39 5.491,40 0.293,41 101.086,42 3.273,43 1.418,44 4.36,45 2450,46 22.445,47 25.344,48 19.786,49 19.786,50 19.786,51 19.786,52 19.786,53 15.166,54 5.342,55 4.261,56 1.151,57 16.748,58 3.587,59 0.118,60 11.173,61 8.887,62 1.127,63 1.127,64 61.072,65 2.824,66 2.824,67 3.616,68 24.292,69 24.292,70 24.292,71 24.292,72 24.292,73 26.759,74 3.153,75 34.961,76 12.336,77 1,78 1,79 3.414,80 0.193,81 2.944,82 11.395,83 11.606,84 3.49,85 3.043,86 7.601,87 5.392,88 9.021,89 13.196,90 3.514,91 1.863,93 5.122,94 60,95 9.33,96 16.238,97 20.849,98 178.167,99 5.38,100 6.343,101 5.781,102 2.626,103 2.626,104 1.156,105 4.956,106 1.064,107 7.125,108 7.125,109 3.456,110 371.282,111 10.557,112 1.436,113 7.266,114 2.519,115 2.519,116 1.153,117 18.373,118 5.733,119 1.429,120 3.714,121 3.714,122 40,123 4.394,124 11.8,125 4.436,126 1.026,127 3.546,128 6.138,129 231,130 0.106,131 41.211,132 4.29,133 69,134 20.348,135 4.302,136 13.543,137 6.481}
{0 CHEMBL2323113,1 5.163,2 12.405,3 6.177,4 14.226,5 4.194,6 0.271,7 4.193,8 35.292,9 4.426,10 4.118,11 4.088,12 4.345,13 4.066,14 4.166,15 4.166,16 9.201,17 4.059,18 3.111,19 4.925,20 5.213,21 0.129,22 4.373,23 2,24 2.311,25 0.83,26 67.664,27 2.034,28 318.004,29 4.28,30 1.145,31 2.91,32 19.636,33 0.688,34 2.136,35 2.136,36 10.524,37 1.064,38 2.866,39 5.189,40 0.16,41 85.637,42 3.206,43 1.376,44 4.297,45 1792,46 20.404,47 23.288,48 17.769,49 17.769,50 17.769,51 17.769,52 17.769,53 13.085,54 5.125,55 4.099,56 1,57 14.919,58 3.386,59 0.131,60 10.155,61 8.793,62 1,63 1,64 54.669,65 2.509,66 2.509,67 3.503,68 22.093,69 22.093,70 22.093,71 22.093,72 22.093,73 24.561,74 3.082,75 28.809,76 10.269,77 1,78 1,79 3.247,80 0.202,81 2.941,82 9.985,83 10.084,84 3.247,85 2.896,86 3.95,87 5.176,88 8.54,89 12.141,90 3.296,91 1.596,92 1,93 4.952,94 54,95 8.098,96 14.453,97 18.404,98 159.434,99 5.265,100 6.26,101 5.694,102 2.587,103 2.587,104 0.982,105 4.913,106 1.064,107 6.38,108 6.38,109 3.229,110 300.656,111 10.473,112 1.404,113 7.163,114 2.136,115 2.136,116 1.153,117 11.864,118 5.624,119 1.429,120 3.611,121 3.611,122 36,123 4.29,124 8.423,125 4.278,126 0.946,127 3.522,128 6.038,129 209,130 0.118,131 35.131,132 4.102,133 59,134 17.577,135 4.163,136 12.016,137 6}
{0 CHEMBL2323114,1 5.185,2 12.408,3 6.212,4 14.269,5 4.215,6 0.261,7 4.216,8 36.402,9 4.428,10 4.138,11 4.095,12 4.359,13 4.067,14 4.14,15 4.14,16 9.236,17 4.077,18 3.111,19 4.936,20 5.213,21 0.129,22 4.388,23 2.042,24 2.336,25 0.83,26 73.752,27 2.059,28 319.083,29 4.294,30 1.063,31 2.91,32 19.636,33 0.662,34 2.136,35 2.136,36 10.484,37 1.064,38 2.924,39 5.218,40 0.115,41 87.168,42 3.206,43 1.376,44 4.322,45 1784,46 20.404,47 23.288,48 17.769,49 17.769,50 17.769,51 17.769,52 17.769,53 13.085,54 5.13,55 4.099,56 1,57 14.919,58 3.394,59 0.131,60 10.115,61 8.793,62 1,63 1,64 54.678,65 2.509,66 2.509,67 3.504,68 22.093,69 22.093,70 22.093,71 22.093,72 22.093,73 24.561,74 3.094,75 28.926,76 10.269,77 1,78 1,79 3.247,80 0.202,81 2.941,82 9.985,83 10.084,84 3.247,85 2.871,86 3.945,87 5.176,88 8.576,89 12.148,90 3.295,91 1.596,92 1,93 4.952,94 54,95 8.098,96 14.453,97 18.404,98 159.455,99 5.265,100 6.277,101 5.69,102 2.573,103 2.573,104 0.982,105 4.92,106 1.064,107 6.408,108 6.408,109 3.228,110 300.656,111 10.473,112 1.374,113 7.163,114 2.136,115 2.136,116 1.153,117 12.089,118 5.624,119 1.429,120 3.611,121 3.611,122 36,123 4.29,124 8.531,125 4.278,126 0.946,127 3.506,128 6.038,129 209,130 0.118,131 35.131,132 4.102,133 59,134 17.577,135 4.163,136 12.017,137 6.959}
{0 CHEMBL2323115,1 5.133,2 12.31,3 5.942,4 14.021,5 4.199,6 0.213,7 4.155,8 36.383,9 4.414,10 4.06,11 4.042,12 4.353,13 4.073,14 4.103,15 4.103,16 8.54,17 4.069,18 3.111,19 4.881,20 4.999,21 0.137,22 4.168,23 1.703,24 1.874,25 0.83,26 27.786,27 1.626,28 288.788,29 4.226,30 0.95,31 2.91,32 18.399,33 0.445,34 2.136,35 2.136,36 10.155,37 1.064,38 2.866,39 5.165,40 0.111,41 39.777,42 3.206,43 1.376,44 4.068,45 1500,46 19.12,47 21.941,48 16.785,49 16.785,50 16.785,51 16.785,52 16.785,53 13.085,54 5.098,55 4.06,56 0.951,57 13.91,58 3.247,59 0.138,60 10.155,61 8.731,62 1,63 1,64 51.336,65 2.136,66 2.136,67 3.442,68 20.886,69 20.886,70 20.886,71 20.886,72 20.886,73 23.463,74 3.082,75 26.678,76 10.65,77 1,78 1,79 2.851,80 0.206,81 2.941,82 9.718,83 9.917,84 3.247,85 2.858,86 4.298,87 5.158,88 8.54,89 11.547,90 3.272,91 1.35,92 1,93 4.934,94 50,95 7.943,96 13.753,97 17.669,98 149.333,99 5.181,100 5.907,101 5.587,102 2.534,103 2.534,104 0.872,105 4.82,106 1.064,107 5.468,108 5.468,109 3.191,110 294.278,111 10.407,112 1.371,113 7.102,114 1.724,115 1.724,116 1.153,117 12.981,118 5.565,119 1.429,120 3.555,121 3.555,122 34,123 4.234,124 8.361,125 4.268,126 0.946,127 3.469,128 5.979,129 197,130 0.124,131 35.256,132 4.108,133 59,134 17.244,135 4.147,136 11.092,137 5.558}
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{0 CHEMBL2323117,1 5.24,2 12.336,3 5.997,4 14.399,5 4.34,6 0.165,7 4.257,8 42.811,9 4.283,10 4.189,11 4.128,12 4.43,13 4.164,14 4.065,15 4.065,16 8.781,17 4.216,18 3.111,19 4.978,20 4.758,21 0.137,22 4.214,23 1.975,24 2.071,25 0.83,26 32.769,27 1.859,28 292.148,29 4.303,30 0.926,31 2.91,32 18.267,33 0.576,34 2.136,35 2.136,36 10.026,37 1.064,38 2.866,39 5.34,40 0.082,41 39.284,42 3.206,43 1.376,44 4.128,45 1468,46 19.058,47 21.626,48 16.859,49 16.859,50 16.859,51 16.859,52 16.859,53 13.213,54 5.189,55 4.101,56 1,57 14.084,58 3.287,59 0.139,60 10.026,61 8.732,62 1,63 1,64 51.802,65 2.509,66 2.509,67 3.442,68 20.775,69 20.775,70 20.775,71 20.775,72 20.775,73 23.463,74 2.938,75 28.614,76 10.9,77 1,78 1,79 3.247,80 0.206,81 2.941,82 10.156,83 10.379,84 3.247,85 2.863,86 4.347,87 5.16,88 8.781,89 11.382,90 3.276,91 1.438,92 1,93 4.969,94 50,95 8.339,96 13.901,97 18.129,98 150.195,99 5.159,100 5.986,101 5.576,102 2.442,103 2.442,104 0.91,105 4.852,106 1.038,107 5.053,108 5.053,109 3.205,110 317.82,111 10.41,112 1.368,113 7.102,114 2.136,115 2.136,116 1.106,117 17.517,118 5.565,119 1.429,120 3.555,121 3.555,122 34,123 4.234,124 11.042,125 4.296,126 0.946,127 3.42,128 5.979,129 197,130 0.125,131 36.563,132 4.151,133 61,134 17.491,135 4.166,136 11.122,137 6.893}
{0 CHEMBL2323118,1 5.311,2 12.405,3 6.119,4 15.085,5 4.392,6 0.271,7 4.327,8 45.835,9 4.426,10 4.251,11 4.202,12 4.501,13 4.243,14 4.166,15 4.166,16 9.201,17 4.275,18 3.111,19 5.055,20 5.213,21 0.129,22 4.326,23 2.068,24 2.212,25 0.83,26 40.683,27 1.964,28 318.004,29 4.394,30 1.145,31 2.91,32 19.365,33 0.688,34 2.136,35 2.136,36 10.524,37 1.064,38 2.877,39 5.389,40 0.16,41 45.236,42 3.206,43 1.376,44 4.25,45 1792,46 20.404,47 23.123,48 17.769,49 17.769,50 17.769,51 17.769,52 17.769,53 14.016,54 5.269,55 4.18,56 1,57 14.919,58 3.386,59 0.131,60 10.524,61 8.793,62 1,63 1,64 54.589,65 2.509,66 2.509,67 3.503,68 22.093,69 22.093,70 22.093,71 22.093,72 22.093,73 24.561,74 3.082,75 31.603,76 11.983,77 1,78 1,79 3.247,80 0.202,81 2.941,82 10.591,83 10.86,84 3.247,85 2.896,86 4.325,87 5.266,88 9.201,89 12.141,90 3.38,91 1.481,92 1,93 5.034,94 54,95 8.715,96 14.676,97 19.017,98 159.434,99 5.244,100 6.085,101 5.694,102 2.587,103 2.587,104 0.949,105 4.913,106 1.064,107 6.38,108 6.38,109 3.322,110 341.362,111 10.473,112 1.418,113 7.163,114 2.136,115 2.136,116 1.153,117 18.136,118 5.624,119 1.429,120 3.611,121 3.611,122 36,123 4.29,124 11.477,125 4.36,126 0.946,127 3.543,128 6.038,129 209,130 0.118,131 38.779,132 4.23,133 65,134 18.821,135 4.234,136 11.853,137 5.951}
{0 CHEMBL2323119,1 5.331,2 12.408,3 6.156,4 15.131,5 4.41,6 0.261,7 4.347,8 47.031,9 4.428,10 4.269,11 4.209,12 4.513,13 4.244,14 4.14,15 4.14,16 9.236,17 4.289,18 3.111,19 5.065,20 5.213,21 0.129,22 4.342,23 2.118,24 2.241,25 0.83,26 47.754,27 1.985,28 319.083,29 4.406,30 1.063,31 2.91,32 19.365,33 0.662,34 2.136,35 2.136,36 10.484,37 1.064,38 2.941,39 5.412,40 0.115,41 43.889,42 3.206,43 1.376,44 4.276,45 1784,46 20.404,47 23.123,48 17.769,49 17.769,50 17.769,51 17.769,52 17.769,53 14.016,54 5.274,55 4.18,56 1,57 14.919,58 3.394,59 0.131,60 10.484,61 8.793,62 1,63 1,64 54.598,65 2.509,66 2.509,67 3.504,68 22.093,69 22.093,70 22.093,71 22.093,72 22.093,73 24.561,74 3.094,75 31.72,76 11.983,77 1,78 1,79 3.247,80 0.202,81 2.941,82 10.591,83 10.86,84 3.247,85 2.871,86 4.32,87 5.266,88 9.236,89 12.148,90 3.38,91 1.481,92 1,93 5.034,94 54,95 8.715,96 14.676,97 19.017,98 159.455,99 5.244,100 6.105,101 5.69,102 2.573,103 2.573,104 0.949,105 4.92,106 1.064,107 6.408,108 6.408,109 3.322,110 341.362,111 10.473,112 1.374,113 7.163,114 2.136,115 2.136,116 1.153,117 18.39,118 5.624,119 1.429,120 3.611,121 3.611,122 36,123 4.29,124 11.578,125 4.36,126 0.946,127 3.532,128 6.038,129 209,130 0.118,131 38.779,132 4.23,133 65,134 18.821,135 4.234,136 11.854,137 6.374}
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{0 CHEMBL469052,1 4.262,2 12.04,3 5.095,4 6.096,5 3.474,6 0.023,7 3.318,8 18.606,9 3.652,10 3.478,11 3.655,12 3.322,13 3.817,14 2.278,15 2.278,16 5.976,17 3.622,18 3.093,19 4.345,20 4.031,21 0.172,22 3.222,23 0.798,24 0.712,25 1,26 30.136,27 0.895,28 173.883,29 3.147,30 0.4,31 2.91,32 12.639,33 0.175,34 -1.569,35 -1.569,36 7.308,37 1.014,38 2.866,39 4.486,40 0.016,41 23.087,42 3.132,43 1.228,44 2.931,45 473,46 13.821,47 14.938,48 11.877,49 11.877,50 11.877,51 11.877,52 11.877,53 10.115,54 4.54,55 3.872,56 -0.928,57 10.724,58 2.405,59 0.191,60 8.196,61 8.461,62 -0.317,63 -0.317,64 36.224,65 -0.888,66 -0.888,67 3.105,68 14.483,69 14.483,70 14.483,71 14.483,72 14.483,73 16.583,74 2.322,75 23.252,76 7.65,77 -0.678,78 -0.678,79 2,80 0.246,81 2.901,82 7.864,83 8.089,84 2.163,85 2.144,86 2.271,87 4.966,88 6.849,89 8.198,90 3.206,91 1.147,92 1,93 4.705,94 34,95 6.392,96 9.475,97 14.293,98 108.937,99 4.729,100 5.185,101 4.934,102 1.994,103 1.994,104 0.641,105 4.477,106 0.886,107 3.373,108 3.373,109 3.111,110 258.964,111 10.167,112 0.883,113 6.804,114 -2.262,115 -2.262,116 0.931,117 8.256,118 5.242,119 1.249,120 3.219,121 3.219,122 24,123 3.892,124 6.624,125 3.979,126 -0.323,127 2.989,128 5.652,129 142,130 0.184,131 28.182,132 4.078,133 46,134 13.214,135 3.864,136 7.893,137 5.93}
{0 CHEMBL469057,1 3.767,2 11.8,3 4.785,4 3.785,5 3.018,6 0.031,7 2.912,8 9.831,9 3.247,10 3.049,11 3.239,12 2.871,13 3.361,14 2.136,15 2.136,16 4.445,17 3.2,18 2.84,19 3.711,20 3.798,21 0.209,22 2.779,23 0.453,24 0.488,25 1,26 26.029,27 0.513,28 135.309,29 2.689,30 0.291,31 2.57,32 10.346,33 0.191,34 -3,35 -3,36 5.94,37 0.804,38 2.579,39 3.898,41 16.308,42 2.921,43 1.062,44 2.432,45 286,46 10.435,47 12.061,48 9.908,49 9.908,50 9.908,51 9.908,52 9.908,53 9.219,54 3.846,55 3.521,56 -1.5,57 7.786,58 2,59 0.228,60 6.828,61 8.274,62 -1,63 -1,64 30.646,65 -2.347,66 -2.347,67 2.962,68 11.809,69 11.809,70 11.809,71 11.809,72 11.809,73 13.118,74 2.5,75 15.353,76 6.567,77 -1,78 -1,79 1.555,80 0.276,81 2.618,82 5.67,83 6.01,84 1.659,85 2.291,87 4.223,88 5.367,89 6.523,90 2.925,91 0.784,92 1,93 4.273,94 27,95 4.737,96 7.921,97 11.034,98 94.141,99 4.64,100 4.799,101 4.174,102 1.993,103 1.993,104 0.451,105 4.19,106 0.513,107 2.669,108 2.669,109 2.854,110 164.795,111 9.96,112 -0.234,113 6.635,114 -3.641,115 -3.641,116 0.605,117 4.671,118 5.081,119 1.107,120 3.045,121 3.045,122 20,123 3.714,124 3.575,125 3.667,126 -0.946,127 2.998,128 5.468,129 118,130 0.216,131 22.682,132 3.709,133 34,134 11.251,135 3.564,136 6.674,137 4.72}
{0 CHEMBL469058,1 4.148,2 11.8,3 4.882,4 5.822,5 3.252,6 0.031,7 3.105,8 14.711,9 3.247,10 3.182,11 3.34,12 3.216,13 3.507,14 2.136,15 2.136,16 4.445,17 3.368,18 2.874,19 3.969,20 3.798,21 0.207,22 2.84,23 0.624,24 0.623,25 1,26 17.295,27 0.676,28 135.309,29 2.975,30 0.291,31 2.57,32 10.448,33 0.191,34 -3,35 -3,36 5.94,37 0.804,38 2.719,39 4.305,41 15.53,42 3.009,43 1.239,44 2.492,45 286,46 11.148,47 12.105,48 9.908,49 9.908,50 9.908,51 9.908,52 9.908,53 9.219,54 4.135,55 3.626,56 -1.415,57 8.755,58 2,59 0.227,60 6.828,61 8.274,62 -1,63 -1,64 30.664,65 -2.347,66 -2.347,67 2.962,68 11.809,69 11.809,70 11.809,71 11.809,72 11.809,73 13.118,74 2.144,75 19.617,76 7.483,77 -1,78 -1,79 1.555,80 0.276,81 2.618,82 6.504,83 6.844,84 1.659,85 2,86 2.354,87 4.506,88 5.367,89 6.523,90 3.077,91 1.003,92 1,93 4.553,94 27,95 5.411,96 7.913,97 11.891,98 94.141,99 4.599,100 4.922,101 4.174,102 1.993,103 1.993,104 0.568,105 4.19,106 0.684,107 2.669,108 2.669,109 2.984,110 235.422,111 9.96,112 -0.234,113 6.635,114 -3.641,115 -3.641,116 0.752,117 6.853,118 5.081,119 1.277,120 3.045,121 3.045,122 20,123 3.714,124 4.857,125 3.843,126 -0.946,127 2.997,128 5.468,129 118,130 0.216,131 24.966,132 3.849,133 40,134 11.977,135 3.716,136 6.746,137 4.398}
{0 CHEMBL469059,1 4.561,2 12.138,3 5.513,4 8.966,5 3.811,6 0.151,7 3.679,8 22.897,9 3.791,10 3.768,11 3.863,12 3.731,13 3.993,14 2.75,15 2.75,16 6.481,17 3.923,18 2.889,19 4.555,20 4.636,21 0.153,22 3.569,23 1.082,24 1.01,25 1,26 43.867,27 1.174,28 209.016,29 3.577,30 0.507,31 2.715,32 14.112,33 0.422,34 -1.016,35 -1.016,36 8.22,37 0.914,38 2.785,39 4.771,40 0.062,41 25.086,42 3.009,43 1.239,44 3.374,45 742,46 14.697,47 16.511,48 13.38,49 13.38,50 13.38,51 13.38,52 13.38,53 11.831,54 4.739,55 3.981,56 -0.54,57 11.221,58 2.794,59 0.169,60 9.128,61 8.576,62 -0.214,63 -0.214,64 41.283,65 -0.623,66 -0.623,67 3.23,68 16.085,69 16.085,70 16.085,71 16.085,72 16.085,73 18.087,74 2.735,75 24.36,76 8.9,77 -0.388,78 -0.388,79 2.232,80 0.235,81 2.735,82 8.064,83 8.434,84 2.583,85 2.5,86 2.308,87 4.94,88 7.457,89 8.942,90 3.2,91 1.161,92 1,93 4.695,94 39,95 6.657,96 10.765,97 15.272,98 125.597,99 4.906,100 5.44,101 5.011,102 2.363,103 2.363,104 0.656,105 4.564,106 0.821,107 4.65,108 4.65,109 3.122,110 258.964,111 10.271,112 0.968,113 6.929,114 -1.302,115 -1.302,116 0.934,117 11.234,118 5.371,119 1.308,120 3.332,121 3.332,122 27,123 4.007,124 8.679,125 4.034,126 -0.205,127 3.329,128 5.771,129 160,130 0.16,131 31.182,132 4.151,133 49,134 14.935,135 3.925,136 8.953,137 4.301}
{0 CHEMBL469099,1 4.115,2 11.8,3 5.005,4 5.243,5 3.146,6 0.031,7 3.03,8 15.002,9 3.247,10 3.113,11 3.301,12 3.075,13 3.445,14 2.136,15 2.136,16 4.445,17 3.266,18 2.874,19 3.9,20 3.798,21 0.207,22 2.859,23 0.568,24 0.553,25 1,26 34.223,27 0.604,28 135.309,29 2.868,30 0.291,31 2.57,32 10.67,33 0.191,34 -3,35 -3,36 5.94,37 0.804,38 2.622,39 4.244,41 18.901,42 2.955,43 1.168,44 2.558,45 286,46 11.148,47 12.264,48 9.908,49 9.908,50 9.908,51 9.908,52 9.908,53 9.219,54 4.054,55 3.592,56 -1.415,57 8.755,58 2,59 0.227,60 6.828,61 8.274,62 -1,63 -1,64 30.609,65 -2.347,66 -2.347,67 2.962,68 11.809,69 11.809,70 11.809,71 11.809,72 11.809,73 13.118,74 2.144,75 18.4,76 7.15,77 -1,78 -1,79 1.555,80 0.276,81 2.618,82 6.064,83 6.382,84 1.659,85 2,86 2.229,87 4.484,88 5.367,89 6.523,90 3.009,91 0.929,92 1,93 4.5,94 27,95 4.992,96 7.768,97 11.43,98 94.141,99 4.629,100 4.92,101 4.174,102 1.993,103 1.993,104 0.539,105 4.19,106 0.532,107 2.669,108 2.669,109 2.877,110 211.88,111 9.96,112 -0.233,113 6.635,114 -3.641,115 -3.641,116 0.622,117 6.048,118 5.081,119 1.192,120 3.045,121 3.045,122 20,123 3.714,124 4.382,125 3.799,126 -0.846,127 2.989,128 5.468,129 118,130 0.216,131 23.659,132 3.802,133 38,134 11.678,135 3.686,136 6.726,137 6.154}
{0 CHEMBL469193,1 4.247,2 12.132,3 5.352,4 5.911,5 3.424,6 0.107,7 3.351,8 15.332,9 3.795,10 3.439,11 3.611,12 3.396,13 3.725,14 2.789,15 2.789,16 6.213,17 3.579,18 2.874,19 4.194,20 4.575,21 0.166,22 3.297,23 0.725,24 0.74,25 1,26 44.181,27 0.839,28 188.392,29 3.285,30 0.467,31 2.578,32 13.231,33 0.333,34 -1.303,35 -1.303,36 7.873,37 0.804,38 2.728,39 4.341,40 0.025,41 18.501,42 2.968,43 1.156,44 3.192,45 558,46 13.283,47 15.157,48 12.38,49 12.38,50 12.38,51 12.38,52 12.38,53 11.124,54 4.37,55 3.805,56 -0.73,57 10.156,58 2.539,59 0.182,60 8.78,61 8.555,62 -0.433,63 -0.433,64 38.54,65 -1.161,66 -1.161,67 3.148,68 14.671,69 14.671,70 14.671,71 14.671,72 14.671,73 16.701,74 2.825,75 20.429,76 7.85,77 -0.463,78 -0.463,79 2,80 0.245,81 2.618,82 7.057,83 7.385,84 2.273,85 2.457,86 2.106,87 4.611,88 7.189,89 8.442,90 3.009,91 1.031,92 1,93 4.535,94 37,95 5.826,96 9.707,97 13.715,98 120.131,99 4.838,100 5.144,101 5.037,102 2.317,103 2.317,104 0.595,105 4.543,106 0.664,107 4.357,108 4.357,109 2.895,110 200.109,111 10.27,112 0.714,113 6.889,114 -1.478,115 -1.478,116 0.709,117 6.622,118 5.313,119 1.181,120 3.258,121 3.258,122 25,123 3.932,124 5.208,125 3.892,126 -0.394,127 3.249,128 5.72,129 152,130 0.173,131 26.904,132 3.95,133 42,134 13.443,135 3.79,136 8.178,137 5.242}
{0 CHEMBL469194,1 4.673,2 12.355,3 5.705,4 9.759,5 3.93,6 0.248,7 3.859,8 24.587,9 4.459,10 3.883,11 3.97,12 3.956,13 4.081,14 4.279,15 4.279,16 8.066,17 4.001,18 2.954,19 4.601,20 5.117,21 0.131,22 3.901,23 1.203,24 1.221,25 1,26 44.556,27 1.255,28 265.252,29 3.839,30 0.65,31 2.822,32 16.693,33 0.417,34 1.835,35 1.835,36 9.933,37 0.931,38 2.846,39 4.772,40 0.143,41 27.852,42 3.009,43 1.239,44 3.806,45 1186,46 16.845,47 19.378,48 15.851,49 15.851,50 15.851,51 15.851,52 15.851,53 13.811,54 4.778,55 4.086,56 -0.213,57 12.633,58 3.247,59 0.143,60 10.84,61 8.778,62 0.846,63 0.846,64 49.217,65 2.136,66 2.136,67 3.376,68 18.894,69 18.894,70 18.894,71 18.894,72 18.894,73 21.671,74 3.225,75 26.201,76 9.683,77 0.704,78 0.704,79 2.794,80 0.215,81 2.828,82 9.074,83 9.456,84 3.226,85 2.828,86 2.175,87 4.92,88 9.036,89 10.879,90 3.214,91 1.234,92 1,93 4.726,94 48,95 7.495,96 12.669,97 17.506,98 151.147,99 5.065,100 5.611,101 5.565,102 2.702,103 2.702,104 0.7,105 4.804,106 0.873,107 5.848,108 5.848,109 3.181,110 247.193,111 10.484,112 1.266,113 7.119,114 -0.51,115 -0.51,116 0.934,117 9.936,118 5.549,119 1.308,120 3.497,121 3.497,122 32,123 4.174,124 8.083,125 4.109,126 0.721,127 3.664,128 5.958,129 193,130 0.135,131 34.426,132 4.222,133 53,134 16.753,135 4.008,136 10.4,137 7.131}
{0 CHEMBL469200,1 4.712,2 12.355,3 5.715,4 10.664,5 3.977,6 0.248,7 3.891,8 26.894,9 4.459,10 3.907,11 3.993,12 4.004,13 4.113,14 4.279,15 4.279,16 8.066,17 4.031,18 2.955,19 4.624,20 5.117,21 0.131,22 3.89,23 1.189,24 1.261,25 1,26 44.623,27 1.266,28 265.252,29 3.871,30 0.65,31 2.827,32 16.593,33 0.417,34 1.835,35 1.835,36 9.933,37 0.932,38 2.848,39 4.791,40 0.143,41 26.024,42 3.009,43 1.239,44 3.807,45 1186,46 16.845,47 19.315,48 15.851,49 15.851,50 15.851,51 15.851,52 15.851,53 13.811,54 4.806,55 4.112,56 -0.213,57 12.633,58 3.247,59 0.143,60 10.84,61 8.778,62 0.846,63 0.846,64 49.238,65 2.136,66 2.136,67 3.376,68 18.894,69 18.894,70 18.894,71 18.894,72 18.894,73 21.671,74 3.225,75 26.518,76 9.817,77 0.704,78 0.704,79 2.794,80 0.215,81 2.833,82 9.214,83 9.612,84 3.226,85 2.828,86 2.203,87 4.962,88 9.036,89 10.879,90 3.214,91 1.21,93 4.737,94 48,95 7.618,96 12.739,97 17.698,98 151.147,99 5.054,100 5.605,101 5.565,102 2.702,103 2.702,104 0.675,105 4.804,106 0.878,107 5.848,108 5.848,109 3.181,110 258.964,111 10.484,112 1.269,113 7.119,114 -0.51,115 -0.51,116 0.934,117 10.717,118 5.549,119 1.308,120 3.497,121 3.497,122 32,123 4.174,124 8.781,125 4.119,126 0.722,127 3.674,128 5.958,129 193,130 0.135,131 35.182,132 4.26,133 54,134 16.883,135 4.019,136 10.41,137 7.097}
{0 CHEMBL469201,1 4.262,2 12.132,3 5.31,4 6.468,5 3.472,6 0.107,7 3.386,8 15.503,9 3.795,10 3.475,11 3.646,12 3.46,13 3.78,14 2.789,15 2.789,16 6.213,17 3.631,18 2.874,19 4.247,20 4.575,21 0.166,22 3.291,23 0.738,24 0.743,25 1,26 36.432,27 0.877,28 188.392,29 3.333,30 0.467,31 2.622,32 13.123,33 0.333,34 -1.303,35 -1.303,36 7.873,37 0.804,38 2.753,39 4.365,40 0.025,41 17.806,42 3.002,43 1.175,44 3.175,45 558,46 13.283,47 15.091,48 12.38,49 12.38,50 12.38,51 12.38,52 12.38,53 11.124,54 4.431,55 3.837,56 -0.73,57 10.156,58 2.539,59 0.182,60 8.78,61 8.555,62 -0.433,63 -0.433,64 38.561,65 -1.161,66 -1.161,67 3.148,68 14.671,69 14.671,70 14.671,71 14.671,72 14.671,73 16.701,74 2.825,75 20.727,76 7.983,77 -0.463,78 -0.463,79 2,80 0.245,81 2.662,82 7.198,83 7.541,84 2.273,85 2.457,86 2.169,87 4.664,88 7.189,89 8.442,90 3.009,91 1.02,92 1,93 4.548,94 37,95 5.947,96 9.773,97 13.907,98 120.131,99 4.825,100 5.145,101 5.037,102 2.317,103 2.317,104 0.574,105 4.543,106 0.793,107 4.357,108 4.357,109 2.94,110 211.88,111 10.27,112 0.717,113 6.889,114 -1.478,115 -1.478,116 0.842,117 7.099,118 5.313,119 1.2,120 3.258,121 3.258,122 25,123 3.932,124 5.551,125 3.905,126 -0.396,127 3.262,128 5.72,129 152,130 0.173,131 27.659,132 3.994,133 43,134 13.573,135 3.804,136 8.19,137 6.212}
{0 CHEMBL469202,1 4.758,2 12.386,3 5.791,4 10.186,5 3.979,6 0.318,7 3.909,8 28.624,9 4.589,10 3.916,11 3.995,12 3.988,13 4.111,14 4.437,15 4.437,16 8.29,17 4.024,18 3.125,19 4.615,20 5.117,21 0.127,22 3.954,23 1.26,24 1.366,25 1,26 50.971,27 1.295,28 277.354,29 3.874,30 0.73,31 2.89,32 17.271,33 0.457,34 1.856,35 1.856,36 10.085,37 1.09,38 2.96,39 4.809,40 0.164,41 29.354,42 3.164,43 1.362,44 3.882,45 1318,46 17.268,47 19.895,48 16.317,49 16.317,50 16.317,51 16.317,52 16.317,53 14.433,54 4.789,55 4.116,56 -0.075,57 13.038,58 3.379,59 0.138,60 10.992,61 8.817,62 0.849,63 0.849,64 50.765,65 2.275,66 2.275,67 3.409,68 19.342,69 19.342,70 19.342,71 19.342,72 19.342,73 22.076,74 3.249,75 27.43,76 10.35,77 0.713,78 0.713,79 2.794,80 0.213,81 2.841,82 9.218,83 9.643,84 3.227,85 2.905,86 2.16,87 5.011,88 9.26,89 11.29,90 3.217,91 1.318,92 1,93 4.771,94 50,95 7.632,96 12.997,97 17.842,98 157.249,99 5.116,100 5.683,101 5.624,102 2.723,103 2.723,104 0.769,105 4.836,106 0.831,107 6.08,108 6.08,109 3.145,110 247.193,111 10.521,112 1.326,113 7.159,114 -0.148,115 -0.148,116 0.934,117 10.295,118 5.587,119 1.362,120 3.526,121 3.526,122 33,123 4.205,124 8.412,125 4.159,126 0.72,127 3.684,128 5.994,129 200,130 0.131,131 35.432,132 4.249,133 55,134 17.468,135 4.051,136 10.755,137 7.678}
{0 CHEMBL469208,1 4.598,2 12.355,3 5.705,4 7.956,5 3.835,6 0.248,7 3.795,8 20.921,9 4.459,10 3.844,11 3.934,12 3.847,13 4.032,14 4.279,15 4.279,16 8.066,17 3.951,18 2.946,19 4.569,20 5.117,21 0.131,22 3.919,23 1.204,24 1.158,25 1,26 47.264,27 1.241,28 265.252,29 3.765,30 0.65,31 2.8,32 16.908,33 0.417,34 1.835,35 1.835,36 9.933,37 0.866,38 2.841,39 4.746,40 0.143,41 32.11,42 3.009,43 1.239,44 3.812,45 1186,46 16.845,47 19.508,48 15.851,49 15.851,50 15.851,51 15.851,52 15.851,53 13.811,54 4.742,55 4.032,56 -0.213,57 12.633,58 3.247,59 0.143,60 10.84,61 8.778,62 0.846,63 0.846,64 49.222,65 2.136,66 2.136,67 3.376,68 18.894,69 18.894,70 18.894,71 18.894,72 18.894,73 21.671,74 3.225,75 24.909,76 9.3,77 0.704,78 0.704,79 2.794,80 0.215,81 2.792,82 8.739,83 9.076,84 3.226,85 2.828,86 2.12,87 4.859,88 9.036,89 10.879,90 3.165,91 1.267,92 1,93 4.695,94 48,95 7.208,96 12.539,97 17.006,98 151.147,99 5.09,100 5.632,101 5.565,102 2.702,103 2.702,104 0.748,105 4.804,106 0.804,107 5.848,108 5.848,109 3.134,110 211.88,111 10.484,112 1.263,113 7.119,114 -0.51,115 -0.51,116 0.912,117 8.385,118 5.549,119 1.308,120 3.497,121 3.497,122 32,123 4.174,124 6.839,125 4.094,126 0.716,127 3.651,128 5.958,129 193,130 0.135,131 32.915,132 4.142,133 51,134 16.416,135 3.988,136 10.369,137 6.91}
{0 CHEMBL469209,1 4.721,2 12.386,3 5.782,4 9.27,5 3.933,6 0.318,7 3.877,8 26.29,9 4.589,10 3.892,11 3.968,12 3.939,13 4.071,14 4.437,15 4.437,16 8.29,17 3.993,18 3.114,19 4.591,20 5.117,21 0.127,22 3.964,23 1.261,24 1.315,25 1,26 50.741,27 1.281,28 277.354,29 3.842,30 0.73,31 2.889,32 17.288,33 0.457,34 1.856,35 1.856,36 10.085,37 1.063,38 2.949,39 4.791,40 0.164,41 31.057,42 3.163,43 1.35,44 3.881,45 1318,46 17.268,47 19.911,48 16.317,49 16.317,50 16.317,51 16.317,52 16.317,53 14.433,54 4.761,55 4.083,56 -0.075,57 13.038,58 3.379,59 0.138,60 10.992,61 8.817,62 0.849,63 0.849,64 50.77,65 2.275,66 2.275,67 3.409,68 19.342,69 19.342,70 19.342,71 19.342,72 19.342,73 22.076,74 3.249,75 27.28,76 10.217,77 0.713,78 0.713,79 2.794,80 0.213,81 2.84,82 9.099,83 9.508,84 3.227,85 2.905,86 2.132,87 4.941,88 9.26,89 11.29,90 3.203,91 1.322,92 1,93 4.755,94 50,95 7.532,96 12.932,97 17.666,98 157.249,99 5.132,100 5.689,101 5.624,102 2.723,103 2.723,104 0.79,105 4.836,106 0.831,107 6.08,108 6.08,109 3.138,110 235.422,111 10.521,112 1.324,113 7.159,114 -0.148,115 -0.148,116 0.934,117 9.506,118 5.587,119 1.362,120 3.526,121 3.526,122 33,123 4.205,124 7.684,125 4.15,126 0.72,127 3.68,128 5.994,129 200,130 0.131,131 34.676,132 4.201,133 54,134 17.338,135 4.04,136 10.743,137 6.857}
{0 CHEMBL469248,1 4.225,2 12.207,3 5.41,4 5.581,5 3.398,6 0.172,7 3.365,8 14.18,9 4.034,10 3.483,11 3.657,12 3.364,13 3.755,14 3.261,15 3.261,16 6.441,17 3.599,18 2.874,19 4.266,20 4.94,21 0.161,22 3.409,23 0.813,24 0.788,25 1,26 45.133,27 1.042,28 201.253,29 3.296,30 0.467,31 2.626,32 13.805,33 0.405,34 -1.301,35 -1.301,36 8.244,37 0.804,38 2.769,39 4.363,40 0.025,41 28.316,42 3.009,43 1.155,44 3.305,45 628,46 13.73,47 15.703,48 12.847,49 12.847,50 12.847,51 12.847,52 12.847,53 11.124,54 4.438,55 3.828,56 -0.698,57 10.543,58 2.609,59 0.176,60 8.78,61 8.618,62 -0.27,63 -0.27,64 40.19,65 -0.804,66 -0.804,67 3.19,68 15.171,69 15.171,70 15.171,71 15.171,72 15.171,73 17.107,74 2.946,75 21.205,76 7.793,77 -0.457,78 -0.457,79 2.277,80 0.242,81 2.661,82 7.106,83 7.398,84 2.414,85 2.458,86 1.922,87 4.66,88 7.189,89 8.914,90 3.016,91 1.134,92 1,93 4.53,94 40,95 5.842,96 10.014,97 13.974,98 126.712,99 4.92,100 5.288,101 5.147,102 2.464,103 2.464,104 0.67,105 4.595,106 0.737,107 5.182,108 5.182,109 2.965,110 191.527,111 10.34,112 0.813,113 6.944,114 -1.591,115 -1.591,116 0.777,117 5.99,118 5.361,119 1.143,120 3.296,121 3.296,122 26,123 3.97,124 5.014,125 3.906,126 -0.252,127 3.395,128 5.771,129 160,130 0.166,131 26.841,132 3.938,133 42,134 13.667,135 3.805,136 8.583,137 4.949}
{0 CHEMBL469249,1 4.292,2 12.207,3 5.369,4 6.103,5 3.548,6 0.172,7 3.453,8 15.821,9 4.034,10 3.573,11 3.741,12 3.483,13 3.878,14 3.261,15 3.261,16 6.441,17 3.743,18 2.874,19 4.418,20 4.94,21 0.161,22 3.404,23 0.884,24 0.788,25 1,26 36.339,27 1.018,28 201.253,29 3.377,30 0.467,31 2.648,32 13.693,33 0.405,34 -1.301,35 -1.301,36 8.244,37 0.804,38 2.774,39 4.545,40 0.025,41 24.419,42 3.009,43 1.239,44 3.281,45 628,46 13.73,47 15.65,48 12.847,49 12.847,50 12.847,51 12.847,52 12.847,53 11.652,54 4.629,55 3.9,56 -0.698,57 10.543,58 2.609,59 0.176,60 9.151,61 8.618,62 -0.27,63 -0.27,64 40.133,65 -0.804,66 -0.804,67 3.19,68 15.171,69 15.171,70 15.171,71 15.171,72 15.171,73 17.107,74 2.946,75 22.213,76 8.65,77 -0.457,78 -0.457,79 2.277,80 0.242,81 2.689,82 7.351,83 7.734,84 2.414,85 2.458,86 2.162,87 4.777,88 7.412,89 8.914,90 3.155,91 1.095,92 1,93 4.601,94 40,95 6.094,96 10.124,97 14.248,98 126.712,99 4.891,100 5.29,101 5.147,102 2.464,103 2.464,104 0.639,105 4.595,106 0.78,107 5.182,108 5.182,109 3.118,110 211.88,111 10.34,112 0.832,113 6.944,114 -1.591,115 -1.591,116 0.829,117 8.043,118 5.361,119 1.308,120 3.296,121 3.296,122 26,123 3.97,124 6.44,125 3.966,126 -0.256,127 3.415,128 5.771,129 160,130 0.166,131 28.665,132 4.036,133 45,134 14.289,135 3.857,136 8.548,137 4.816}
{0 CHEMBL469270,1 4.511,2 12.257,3 5.622,4 7.983,5 3.699,6 0.227,7 3.641,8 23.219,9 4.032,10 3.699,11 3.81,12 3.661,13 3.923,14 3.441,15 3.441,16 6.799,17 3.809,18 2.925,19 4.453,20 5.117,21 0.149,22 3.731,23 0.978,24 0.985,25 1,26 55.233,27 1.061,28 223.837,29 3.549,30 0.631,31 2.745,32 14.614,33 0.46,34 -0.998,35 -0.998,36 8.505,37 0.832,38 2.806,39 4.615,40 0.131,41 43.635,42 3.009,43 1.239,44 3.479,45 833,46 14.821,47 16.767,48 13.831,49 13.831,50 13.831,51 13.831,52 13.831,53 12.657,54 4.621,55 3.956,56 -0.538,57 11.33,58 2.794,59 0.163,60 9.412,61 8.673,62 -0.206,63 -0.206,64 43.466,65 -0.6,66 -0.6,67 3.268,68 16.326,69 16.326,70 16.326,71 16.326,72 16.326,73 18.205,74 2.834,75 23.933,76 9.067,77 -0.355,78 -0.355,79 2.405,80 0.234,81 2.743,82 7.784,83 8.168,84 2.587,85 2.802,86 2.036,87 4.842,88 7.769,89 9.505,90 3.164,91 1.13,92 1,93 4.635,94 43,95 6.432,96 10.938,97 15.136,98 136.403,99 4.993,100 5.61,101 5.293,102 2.608,103 2.608,104 0.661,105 4.663,106 0.804,107 5.847,108 5.847,109 3.132,110 211.88,111 10.385,112 1.168,113 7.009,114 -1.302,115 -1.302,116 0.887,117 7.917,118 5.434,119 1.308,120 3.367,121 3.367,122 28,123 4.043,124 6.824,125 4.007,126 -0.197,127 3.604,128 5.838,129 171,130 0.154,131 30.12,132 4.078,133 47,134 15.197,135 3.905,136 9.301,137 6.437}
{0 CHEMBL469271,1 4.642,2 12.349,3 5.642,4 9.635,5 3.879,6 0.181,7 3.796,8 23.503,9 4.398,10 3.851,11 3.978,12 3.918,13 4.099,14 4.27,15 4.27,16 8.05,17 3.978,18 2.959,19 4.607,20 5.117,21 0.13,22 3.751,23 1.097,24 1.169,25 1,26 43.39,27 1.223,28 263.122,29 3.785,30 0.65,31 2.83,32 16.592,33 0.477,34 1.834,35 1.834,36 9.967,37 0.937,38 2.848,39 4.733,40 0.139,41 23.241,42 3.015,43 1.239,44 3.719,45 1162,46 16.845,47 19.315,48 15.851,49 15.851,50 15.851,51 15.851,52 15.851,53 13.811,54 4.79,55 4.112,56 -0.259,57 12.633,58 3.247,59 0.143,60 10.875,61 8.778,62 0.847,63 0.847,64 49.253,65 2.136,66 2.136,67 3.375,68 18.894,69 18.894,70 18.894,71 18.894,72 18.894,73 21.671,74 3.171,75 26.34,76 9.817,77 0.706,78 0.706,79 2.794,80 0.215,81 2.838,82 9.214,83 9.612,84 3.227,85 2.883,86 2.191,87 4.962,88 9.026,89 10.872,90 3.214,91 1.21,93 4.737,94 48,95 7.619,96 12.739,97 17.698,98 151.179,99 5.054,100 5.51,101 5.557,102 2.711,103 2.711,104 0.675,105 4.796,106 0.849,107 5.85,108 5.85,109 3.181,110 258.964,111 10.484,112 1.221,113 7.119,114 -0.686,115 -0.686,116 0.934,117 10.036,118 5.549,119 1.308,120 3.497,121 3.497,122 32,123 4.174,124 7.922,125 4.119,126 0.723,127 3.681,128 5.958,129 193,130 0.135,131 35.182,132 4.258,133 54,134 16.883,135 4.019,136 10.41,137 5.979}
{0 CHEMBL475251,1 4.682,2 12.301,3 5.985,4 6.132,5 3.875,6 0.451,7 3.849,8 24.284,9 4.959,10 3.982,11 4.074,12 3.738,13 4.096,14 5.726,15 5.726,16 8.819,17 4.021,18 3.203,19 4.931,20 5.217,21 0.111,22 4.009,23 1.487,24 1.342,25 0.67,26 80.035,27 1.631,28 319.203,29 3.776,30 0.847,31 2.901,32 19.48,33 0.582,34 1.046,35 1.046,36 10.285,37 1.071,38 2.993,39 5.115,40 0.26,41 74.725,42 3.282,43 1.479,44 3.99,45 2092,46 20.291,47 23.637,48 18.052,49 18.052,50 18.052,51 18.052,52 18.052,53 14.645,54 5.145,55 4.106,56 0.452,57 14.241,58 3.18,59 0.123,60 10.104,61 8.873,62 1.145,63 1.145,64 55.078,65 2.397,66 2.397,67 3.56,68 22.632,69 22.632,70 22.632,71 22.632,72 22.632,73 23.868,74 3.355,75 28.102,76 11.993,77 0.433,78 0.433,79 2.971,80 0.205,81 2.897,82 9.49,83 9.83,84 3.021,85 3.298,87 5.17,88 8.437,89 12.804,90 3.35,91 1.357,93 4.852,94 59,95 7.936,96 15.114,97 18.11,98 166.968,99 5.41,100 5.993,101 5.273,102 2.747,103 2.747,104 0.916,105 4.787,106 0.975,107 6.48,108 6.48,109 3.29,110 250.382,111 10.565,112 1.704,113 7.228,114 0.651,115 0.651,116 1.048,117 12.79,118 5.673,119 1.498,120 3.638,121 3.638,122 37,123 4.317,124 8.513,125 4.287,126 0.937,127 3.689,128 6.071,129 216,130 0.118,131 37.097,132 4.11,133 60,134 19.148,135 4.181,136 12.559,137 5.377}
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{0 CHEMBL91829,1 5.405,2 12.721,3 6.422,4 18.086,5 4.705,6 0.34,7 4.625,8 51.171,9 4.956,10 4.634,11 4.562,12 4.565,13 4.626,14 5.465,15 5.465,16 10.619,17 4.699,18 3.311,19 5.455,20 5.399,21 0.118,22 4.566,23 2.852,24 2.485,25 0.67,26 105.793,27 2.715,28 384.711,29 4.453,30 1.447,31 3.125,32 20.498,33 0.889,34 2.814,35 2.814,36 12.797,37 1.262,38 3.191,39 5.746,40 0.186,41 93.764,42 3.37,43 1.61,44 4.318,45 1438,46 21.264,47 24.38,48 19.802,49 19.802,50 19.802,51 19.802,52 19.802,53 15.892,54 5.667,55 4.488,56 1.427,57 15.494,58 3.628,59 0.121,60 12.797,61 8.947,62 1.309,63 1.309,64 61.687,65 2.941,66 2.941,67 3.59,68 23.93,69 23.93,70 23.93,71 23.93,72 23.93,73 27.164,74 3.384,75 34.267,76 12.017,77 1.176,78 1.176,79 3.574,80 0.192,81 3.119,82 11.56,83 11.864,84 3.594,85 3.325,86 2.154,87 5.576,88 10.619,89 13.639,90 3.561,91 1.576,93 5.002,94 64,95 9.521,96 16.368,97 21.726,98 187.307,99 5.311,100 6.531,101 6.12,102 2.574,103 2.574,104 0.931,105 5.112,106 1.128,107 6.615,108 6.615,109 3.493,110 317.82,111 10.641,112 1.704,113 7.307,114 2.709,115 2.709,116 1.187,117 26.839,118 5.759,119 1.546,120 3.714,121 3.714,122 40,123 4.394,124 19.81,125 4.372,126 1.266,127 3.505,128 6.188,129 243,130 0.111,131 42.523,132 4.561,133 68,134 19.953,135 4.257,136 13.061,137 5}
{0 CHEMBL939,1 4.743,2 12.001,3 5.802,4 8.847,5 4,6 0.284,7 3.93,8 28.621,9 4.042,10 3.955,11 3.975,12 3.938,13 4.066,14 3.523,15 3.523,16 7.584,17 4.022,18 3.111,19 4.855,20 5.011,21 0.133,22 4.035,23 1.377,24 1.332,25 1,26 41.222,27 1.383,28 272.759,29 3.875,30 0.625,31 2.91,32 18.21,33 0.531,34 1.449,35 1.449,36 9.019,37 1.047,38 3.021,39 5.037,40 0.177,41 53.011,42 3.206,43 1.376,44 4.007,45 1793,46 19.212,47 22.231,48 16.748,49 16.748,50 16.748,51 16.748,52 16.748,53 13.085,54 5.07,55 4.01,56 0.416,57 13.558,58 3.201,59 0.135,60 9.188,61 8.634,62 1,63 1,64 49.795,65 2.136,66 2.136,67 3.472,68 21.3,69 21.3,70 21.3,71 21.3,72 21.3,73 23.057,74 2.999,75 26.928,76 10.136,77 0.632,78 0.632,79 2.812,80 0.208,81 2.927,82 9.718,83 9.925,84 2.898,85 2.82,86 2.369,87 5.162,88 7.494,89 11.237,90 3.241,91 1.327,92 1,93 4.851,94 48,95 7.97,96 14.004,97 17.542,98 138.316,99 5.232,100 5.867,101 5.063,102 2.52,103 2.52,104 0.856,105 4.605,106 0.961,107 5.763,108 5.763,109 3.167,110 285.695,111 10.283,112 1.23,113 7.036,114 0.737,115 0.737,116 1.021,117 12.641,118 5.533,119 1.417,120 3.555,121 3.555,122 34,123 4.234,124 9.526,125 4.233,126 0.946,127 3.436,128 5.922,129 186,130 0.121,131 36.557,132 4.094,133 58,134 17.992,135 4.125,136 11.46,137 4.301}
{0 CHEMBL941,1 4.9,2 12.095,3 5.937,4 10.944,5 4.248,6 0.262,7 4.136,8 29.721,9 4.806,10 4.179,11 4.196,12 4.166,13 4.291,14 5.438,15 5.438,16 9.213,17 4.268,18 3.242,19 4.967,20 5.204,21 0.097,22 4.026,23 1.761,24 1.59,25 0.83,26 50.027,27 1.798,28 345.14,29 4.067,30 0.726,31 3.031,32 21.073,33 0.668,34 2.387,35 2.387,36 10.811,37 1.136,38 3.084,39 5.264,40 0.206,41 47.321,42 3.335,43 1.48,44 3.986,45 2915,46 22.252,47 25.762,48 20.276,49 20.276,50 20.276,51 20.276,52 20.276,53 16.198,54 5.186,55 4.247,56 1.5,57 15.83,58 3.429,59 0.105,60 10.811,61 8.801,62 1.238,63 1.238,64 60.676,65 2.792,66 2.792,67 3.642,68 25.256,69 25.256,70 25.256,71 25.256,72 25.256,73 28.027,74 3.434,75 29.967,76 12.75,77 1,78 1,79 3.414,80 0.189,81 3.036,82 11.937,83 12.293,84 3.414,85 3.203,86 4.8,87 5.402,88 9.213,89 13.45,90 3.467,91 1.689,93 5.033,94 56,95 9.945,96 17.418,97 21.544,98 168.484,99 5.388,100 5.971,101 5.165,102 2.658,103 2.658,104 1.057,105 4.754,106 1.064,107 6.483,108 6.483,109 3.412,110 341.362,111 10.416,112 1.697,113 7.225,114 2.275,115 2.275,116 1.153,117 17.862,118 5.727,119 1.503,120 3.738,121 3.738,122 41,123 4.419,124 12.405,125 4.443,126 1.197,127 3.604,128 6.107,129 224,130 0.096,131 45.631,132 4.367,133 72,134 21.185,135 4.309,136 13.659,137 5}
{0 CHEMBL98350,1 4.307,2 11.952,3 5.198,4 6.813,5 3.661,6 0.023,7 3.569,8 16.391,9 3.525,10 3.703,11 3.771,12 3.501,13 3.83,14 2.708,15 2.708,16 6.528,17 3.768,18 2.859,19 4.486,20 4.227,21 0.163,22 3.461,23 0.895,24 0.824,25 1,26 24.181,27 0.974,28 195.198,29 3.345,30 0.487,31 2.715,32 13.421,33 0.196,34 -1.281,35 -1.281,36 7.627,37 0.821,38 2.755,39 4.581,40 0.016,41 45.021,42 2.925,43 1.062,44 3.115,45 696,46 14.337,47 16.394,48 12.881,49 12.881,50 12.881,51 12.881,52 12.881,53 9.927,54 4.663,55 3.802,56 -0.748,57 10.246,58 2.655,59 0.175,60 7.627,61 8.459,62 -0.029,63 -0.029,64 38.848,65 -0.076,66 -0.076,67 3.19,68 16.052,69 16.052,70 16.052,71 16.052,72 16.052,73 18.087,74 2.828,75 16.235,76 7.2,77 -0.491,78 -0.491,79 2.211,80 0.235,81 2.735,82 7.542,83 7.668,84 2.417,85 2.515,86 2.062,87 4.748,88 6.528,89 8.727,90 3.043,91 0.886,92 1,93 4.491,94 38,95 6.178,96 10.903,97 13.716,98 110.718,99 4.896,100 5.54,101 4.942,102 2.008,103 2.008,104 0.519,105 4.522,106 0.738,107 3.737,108 3.737,109 3.021,110 200.109,111 10.149,112 1,113 6.821,114 -1.29,115 -1.29,116 0.783,117 8.588,118 5.283,119 1.107,120 3.296,121 3.296,122 26,123 3.97,124 6.907,125 3.901,126 -0.028,127 3.012,128 5.694,129 148,130 0.161,131 27.46,132 3.857,133 43,134 12.697,135 3.809,136 8.531,137 5.876}