@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL6166

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1076555,CHEMBL1081312,CHEMBL1082440,CHEMBL1084546,CHEMBL1089101,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164180,CHEMBL1164265,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1230164,CHEMBL1233887,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1419458,CHEMBL1421,CHEMBL1421720,CHEMBL1461728,CHEMBL14762,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682358,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682554,CHEMBL1682558,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1870106,CHEMBL1879463,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1949855,CHEMBL1958401,CHEMBL196363,CHEMBL1964288,CHEMBL1964290,CHEMBL1964382,CHEMBL1964413,CHEMBL1964441,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964902,CHEMBL1964937,CHEMBL1964948,CHEMBL1965033,CHEMBL1965131,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965423,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965702,CHEMBL1965836,CHEMBL1965845,CHEMBL1965988,CHEMBL1966035,CHEMBL1966040,CHEMBL1966087,CHEMBL1966175,CHEMBL1966204,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966501,CHEMBL1966514,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1966842,CHEMBL1967094,CHEMBL1967116,CHEMBL1967252,CHEMBL1967302,CHEMBL1967336,CHEMBL1967513,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967612,CHEMBL1967704,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1967992,CHEMBL1967998,CHEMBL1968127,CHEMBL1968130,CHEMBL1968151,CHEMBL1968340,CHEMBL1968380,CHEMBL1968406,CHEMBL1968459,CHEMBL1968590,CHEMBL1968646,CHEMBL1968705,CHEMBL1968791,CHEMBL1968868,CHEMBL1968926,CHEMBL1968930,CHEMBL1969042,CHEMBL1969049,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969221,CHEMBL1969301,CHEMBL1969372,CHEMBL1969473,CHEMBL1969483,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1969942,CHEMBL1970006,CHEMBL1970074,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970290,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970352,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970821,CHEMBL1970873,CHEMBL1970903,CHEMBL1970913,CHEMBL1970950,CHEMBL1971021,CHEMBL1971029,CHEMBL1971132,CHEMBL1971141,CHEMBL1971149,CHEMBL1971172,CHEMBL1971186,CHEMBL1971223,CHEMBL1971245,CHEMBL1971289,CHEMBL1971430,CHEMBL1971485,CHEMBL1971519,CHEMBL1971534,CHEMBL1971606,CHEMBL1971649,CHEMBL1971694,CHEMBL1971943,CHEMBL1971951,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972152,CHEMBL1972158,CHEMBL1972183,CHEMBL1972220,CHEMBL1972221,CHEMBL1972258,CHEMBL1972276,CHEMBL1972290,CHEMBL1972339,CHEMBL1972346,CHEMBL1972355,CHEMBL1972462,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972849,CHEMBL1972934,CHEMBL1972937,CHEMBL1972988,CHEMBL1973013,CHEMBL1973016,CHEMBL1973098,CHEMBL1973138,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973359,CHEMBL1973483,CHEMBL1973516,CHEMBL1973720,CHEMBL1973793,CHEMBL1973808,CHEMBL1973860,CHEMBL1973868,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974094,CHEMBL1974157,CHEMBL1974250,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974574,CHEMBL1974617,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974875,CHEMBL1974935,CHEMBL1974998,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975212,CHEMBL1975233,CHEMBL1975256,CHEMBL1975357,CHEMBL1975440,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975900,CHEMBL1975903,CHEMBL1975921,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976158,CHEMBL1976196,CHEMBL1976220,CHEMBL1976240,CHEMBL1976376,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976872,CHEMBL1976936,CHEMBL1977128,CHEMBL1977134,CHEMBL1977135,CHEMBL1977138,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977374,CHEMBL1977604,CHEMBL1977634,CHEMBL1977681,CHEMBL1977713,CHEMBL1977749,CHEMBL1977814,CHEMBL1977931,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978200,CHEMBL1978267,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979577,CHEMBL1979690,CHEMBL1979773,CHEMBL1979855,CHEMBL1979883,CHEMBL1979933,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980167,CHEMBL1980178,CHEMBL1980246,CHEMBL1980253,CHEMBL1980297,CHEMBL1980329,CHEMBL1980376,CHEMBL1980391,CHEMBL1980407,CHEMBL1980435,CHEMBL1980489,CHEMBL1980540,CHEMBL1980562,CHEMBL1980592,CHEMBL1980671,CHEMBL1980704,CHEMBL1980763,CHEMBL1980896,CHEMBL1980995,CHEMBL1981047,CHEMBL1981079,CHEMBL1981133,CHEMBL1981215,CHEMBL1981410,CHEMBL1981492,CHEMBL1981511,CHEMBL1981671,CHEMBL1981720,CHEMBL1981725,CHEMBL1981744,CHEMBL1981782,CHEMBL1981792,CHEMBL1981947,CHEMBL1982122,CHEMBL1982135,CHEMBL1982271,CHEMBL1982361,CHEMBL1982383,CHEMBL1982400,CHEMBL1982413,CHEMBL1982465,CHEMBL1982466,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1982753,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982980,CHEMBL1982982,CHEMBL1982992,CHEMBL1983025,CHEMBL1983070,CHEMBL1983111,CHEMBL1983157,CHEMBL1983195,CHEMBL1983268,CHEMBL1983309,CHEMBL1983315,CHEMBL1983348,CHEMBL1983393,CHEMBL1983449,CHEMBL1983534,CHEMBL1983575,CHEMBL1983589,CHEMBL1983595,CHEMBL1983630,CHEMBL1983640,CHEMBL1983715,CHEMBL1983855,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1983980,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984236,CHEMBL1984274,CHEMBL1984296,CHEMBL1984363,CHEMBL1984367,CHEMBL1984548,CHEMBL1984586,CHEMBL1984633,CHEMBL1984686,CHEMBL1984700,CHEMBL1984711,CHEMBL1984760,CHEMBL1984788,CHEMBL1984842,CHEMBL1984847,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985129,CHEMBL1985153,CHEMBL1985206,CHEMBL1985367,CHEMBL1985406,CHEMBL1985469,CHEMBL1985654,CHEMBL1985681,CHEMBL1985723,CHEMBL1986139,CHEMBL1986143,CHEMBL1986177,CHEMBL1986186,CHEMBL1986263,CHEMBL1986265,CHEMBL1986328,CHEMBL1986499,CHEMBL1986503,CHEMBL1986530,CHEMBL1986590,CHEMBL1986597,CHEMBL1986603,CHEMBL1986666,CHEMBL1986756,CHEMBL1986767,CHEMBL1986781,CHEMBL1986855,CHEMBL1986869,CHEMBL1986899,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987073,CHEMBL1987261,CHEMBL1987359,CHEMBL1987430,CHEMBL1987448,CHEMBL1987533,CHEMBL1987535,CHEMBL1987679,CHEMBL1987745,CHEMBL1987793,CHEMBL1987899,CHEMBL1987910,CHEMBL1987948,CHEMBL1987982,CHEMBL1987998,CHEMBL1988075,CHEMBL1988076,CHEMBL1988141,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988331,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988581,CHEMBL1988594,CHEMBL1988608,CHEMBL1988622,CHEMBL1988662,CHEMBL1988692,CHEMBL1988717,CHEMBL1988805,CHEMBL1988838,CHEMBL1988872,CHEMBL1988995,CHEMBL1989006,CHEMBL1989029,CHEMBL1989043,CHEMBL1989136,CHEMBL1989265,CHEMBL1989267,CHEMBL1989293,CHEMBL1989471,CHEMBL1989474,CHEMBL1989518,CHEMBL1989569,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989957,CHEMBL1990162,CHEMBL1990223,CHEMBL1990254,CHEMBL1990288,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990590,CHEMBL1990708,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991008,CHEMBL1991078,CHEMBL1991138,CHEMBL1991143,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991377,CHEMBL1991395,CHEMBL1991410,CHEMBL1991429,CHEMBL1991434,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991734,CHEMBL1991800,CHEMBL1991818,CHEMBL1991867,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992220,CHEMBL1992231,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992363,CHEMBL1992371,CHEMBL1992473,CHEMBL1992536,CHEMBL1992555,CHEMBL1992581,CHEMBL1992607,CHEMBL1992634,CHEMBL1992673,CHEMBL1992723,CHEMBL1992740,CHEMBL1992922,CHEMBL1992937,CHEMBL1993243,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993648,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993877,CHEMBL1993904,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994159,CHEMBL1994241,CHEMBL1994308,CHEMBL1994318,CHEMBL1994321,CHEMBL1994438,CHEMBL1994526,CHEMBL1994538,CHEMBL1994555,CHEMBL1994669,CHEMBL1994693,CHEMBL1994724,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995428,CHEMBL1995635,CHEMBL1995712,CHEMBL1995736,CHEMBL1995740,CHEMBL1995765,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996048,CHEMBL1996111,CHEMBL1996176,CHEMBL1996208,CHEMBL1996234,CHEMBL1996345,CHEMBL1996447,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996587,CHEMBL1996604,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1996791,CHEMBL1996795,CHEMBL1996817,CHEMBL1996831,CHEMBL1996837,CHEMBL1996923,CHEMBL1996931,CHEMBL1996979,CHEMBL1996980,CHEMBL1997007,CHEMBL1997023,CHEMBL1997025,CHEMBL1997041,CHEMBL1997051,CHEMBL1997119,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997340,CHEMBL1997349,CHEMBL1997503,CHEMBL1997534,CHEMBL1997554,CHEMBL1997597,CHEMBL1997611,CHEMBL1997617,CHEMBL1997643,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1997892,CHEMBL1997909,CHEMBL1997924,CHEMBL1998068,CHEMBL1998110,CHEMBL1998112,CHEMBL1998121,CHEMBL1998193,CHEMBL1998253,CHEMBL1998414,CHEMBL1998432,CHEMBL1998435,CHEMBL1998470,CHEMBL1998545,CHEMBL1998551,CHEMBL1998585,CHEMBL1998611,CHEMBL1998680,CHEMBL1998826,CHEMBL1998829,CHEMBL1998953,CHEMBL1999112,CHEMBL1999120,CHEMBL1999126,CHEMBL1999153,CHEMBL1999279,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999484,CHEMBL1999496,CHEMBL1999506,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999811,CHEMBL1999931,CHEMBL2000029,CHEMBL2000071,CHEMBL2000078,CHEMBL2000114,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000724,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2000934,CHEMBL2001019,CHEMBL2001149,CHEMBL2001224,CHEMBL2001228,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001477,CHEMBL2001485,CHEMBL2001539,CHEMBL2001547,CHEMBL2001584,CHEMBL2001613,CHEMBL2001641,CHEMBL2001668,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001987,CHEMBL2002099,CHEMBL2002105,CHEMBL2002165,CHEMBL2002240,CHEMBL2002373,CHEMBL2002446,CHEMBL2002456,CHEMBL2002479,CHEMBL2002480,CHEMBL2002553,CHEMBL2002586,CHEMBL2002599,CHEMBL2002613,CHEMBL2002649,CHEMBL2002660,CHEMBL2002682,CHEMBL2002690,CHEMBL2002702,CHEMBL2002726,CHEMBL2002736,CHEMBL2002992,CHEMBL2003229,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003514,CHEMBL2003637,CHEMBL2003638,CHEMBL2003682,CHEMBL2003689,CHEMBL2003768,CHEMBL2003785,CHEMBL2003817,CHEMBL2004025,CHEMBL2004118,CHEMBL2004156,CHEMBL2004159,CHEMBL2004290,CHEMBL2004311,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004443,CHEMBL2004447,CHEMBL2004513,CHEMBL2004515,CHEMBL2004544,CHEMBL2004615,CHEMBL2004631,CHEMBL2004637,CHEMBL2004647,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005112,CHEMBL2005186,CHEMBL2005216,CHEMBL2005375,CHEMBL2005449,CHEMBL2005475,CHEMBL2005478,CHEMBL2005482,CHEMBL2005509,CHEMBL2005528,CHEMBL2005631,CHEMBL2005699,CHEMBL2005718,CHEMBL2005767,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006113,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006456,CHEMBL2006481,CHEMBL2006493,CHEMBL2006564,CHEMBL2006580,CHEMBL2006631,CHEMBL2006674,CHEMBL2006715,CHEMBL2006765,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2007002,CHEMBL2007009,CHEMBL2007044,CHEMBL2007064,CHEMBL2007073,CHEMBL2007124,CHEMBL2007266,CHEMBL2007296,CHEMBL2007336,CHEMBL2007372,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007592,CHEMBL2007603,CHEMBL202721,CHEMBL207253,CHEMBL207400,CHEMBL208637,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL21156,CHEMBL213207,CHEMBL213505,CHEMBL215152,CHEMBL220057,CHEMBL220241,CHEMBL221959,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226232,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2312649,CHEMBL2312652,CHEMBL2312654,CHEMBL2333436,CHEMBL2333445,CHEMBL234085,CHEMBL235157,CHEMBL242865,CHEMBL243088,CHEMBL243298,CHEMBL243518,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259922,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL262623,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL289959,CHEMBL296468,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL340384,CHEMBL340921,CHEMBL360847,CHEMBL362558,CHEMBL363648,CHEMBL371206,CHEMBL375293,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL385478,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL411903,CHEMBL412142,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL440084,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451401,CHEMBL458997,CHEMBL461876,CHEMBL462120,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482538,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL539474,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576113,CHEMBL576620,CHEMBL576982,CHEMBL583144,CHEMBL583187,CHEMBL592030,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692}
@attribute SaaNH numeric
@attribute DECC numeric
@attribute HVcpx numeric
@attribute nPyrroles numeric
@attribute AECC numeric
@attribute IDE numeric
@attribute ATS8m numeric
@attribute ATS6m numeric
@attribute ICR numeric
@attribute S2K numeric
@attribute ATS8p numeric
@attribute SpMax3_Bh.m. numeric
@attribute GGI8 numeric
@attribute JGI8 numeric
@attribute ATSC8m numeric
@attribute ATS7p numeric
@attribute ATS8v numeric
@attribute ECC numeric
@attribute ATS7m numeric
@attribute MW numeric
@attribute PHI numeric
@attribute ATS7v numeric
@attribute CSI numeric
@attribute MSD numeric
@attribute X0v numeric
@attribute X0sol numeric
@attribute AMR numeric
@attribute S1K numeric
@attribute ATSC8p numeric
@attribute TIC3 numeric
@attribute VvdwZAZ numeric
@attribute SMTIV numeric
@attribute SpMax8_Bh.m. numeric
@attribute SAtot numeric
@attribute Yindex numeric
@attribute Cl.090 numeric
@attribute ATS8s numeric
@attribute MDDD numeric
@attribute piID numeric
@attribute SpMax6_Bh.m. numeric
@attribute ATS1v numeric
@attribute SpMax8_Bh.p. numeric
@attribute X1sol numeric
@attribute Uindex numeric
@attribute Eig09_AEA.dm. numeric
@attribute GMTIV numeric
@attribute VAR numeric
@attribute X1v numeric
@attribute ATSC7p numeric
@attribute IDET numeric
@attribute IDMT numeric
@attribute LPRS numeric
@attribute Xu numeric
@attribute S3K numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute ATS1p numeric
@attribute Eig06_AEA.ri. numeric
@attribute SRW09 numeric
@attribute CENT numeric
@attribute SpMax3_Bh.p. numeric
@attribute ATS8e numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.e. numeric
@attribute CID numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ri. numeric
@attribute SM05_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 3.368,2 1.451,3 3.291,5 10.037,6 3.463,7 3.718,8 3.898,9 2.75,10 7.358,11 3.862,12 3.785,13 0.357,14 0.012,15 21.198,16 3.953,17 3.742,18 271,19 3.897,20 377.47,21 4.763,22 3.858,23 587,24 6.08,25 15.334,26 18.221,27 105.742,28 17.477,29 8.944,30 200.574,31 316.15,32 14750,33 2.687,34 431.29,35 0.579,37 5.71,38 25.295,39 10.831,40 2.853,41 3.514,42 2.735,43 13.464,44 39.954,45 1.172,46 27336,47 102,48 9.876,49 7.987,50 1215.67,51 15393.9,52 132.502,53 25.663,54 3.635,55 187.143,56 448.389,57 3.557,58 2.752,59 6.862,60 1123,61 3.747,62 4.594,63 1.921,64 1.814,65 4.038,66 1,67 1.5,68 0.983,69 1,70 5.432}
{0 CHEMBL101253,2 1.856,3 3.346,5 10.4,6 3.486,7 3.486,8 3.717,9 2.953,10 6.978,11 3.609,12 3.787,13 0.2,14 0.01,15 16.149,16 3.781,17 3.465,18 260,19 3.668,20 346.84,21 4.384,22 3.675,23 572,24 6.034,25 14.111,26 17.562,27 100.976,28 15.707,29 6.477,30 188.877,31 291.69,32 12027,33 2.687,34 407.132,35 0.551,37 5.255,38 23.142,39 11.331,40 3.047,41 3.437,42 2.735,43 12.582,44 35.852,45 1.076,46 21561,47 97,48 8.33,49 6.574,50 1045.76,51 12517.9,52 120.213,53 24.261,54 3.506,55 176.352,56 422.06,57 3.464,58 2.783,60 911,61 3.757,62 4.285,63 1.943,64 1.827,65 3.972,66 1,67 1.449,68 0.983,69 1,70 5.15}
{0 CHEMBL101311,2 2.44,3 3.762,5 14.1,6 3.984,7 3.729,8 3.967,9 3.248,10 10.794,11 3.75,12 3.743,13 0.242,14 0.009,15 23.702,16 3.84,17 3.635,18 423,19 3.901,20 448.39,21 8.128,22 3.75,23 884,24 8.365,25 18.153,26 22.51,27 120.009,28 22.591,29 7.502,30 272.07,31 381.32,32 23138,33 2.918,34 570.453,35 0.455,37 5.523,38 38.142,39 10.773,40 3.222,41 3.57,42 2.787,43 14.962,44 55.744,45 1.642,46 41329,47 148,48 10.022,49 7.473,50 1733.18,51 26063.9,52 159.05,53 29.209,54 7.285,55 222.313,56 534.203,57 3.583,58 2.939,60 1624,61 3.609,62 4.516,63 1.894,64 1.699,65 4.121,66 1,67 1.5,68 1,69 1,70 5.6}
{0 CHEMBL103667,2 2.479,3 3.818,5 15.333,6 4.051,7 4.237,8 4.272,9 3.329,10 11.887,11 4.518,12 3.743,13 0.637,14 0.012,15 47.773,16 4.471,17 4.402,18 598,19 4.329,20 527.73,21 8.336,22 4.385,23 1298,24 8.816,25 23.16,26 27.407,27 153.448,28 27.35,29 16.237,30 390.539,31 491.79,32 36729,33 3.166,34 704.801,35 0.379,37 6.285,38 51.546,39 12.497,40 3.392,41 3.899,42 3.059,43 18.775,44 61.501,45 2.106,46 58050,47 229,48 13.481,49 14.686,50 3002.02,51 52076,52 220.011,53 35.501,54 6.683,55 284.925,56 686.977,57 3.926,58 3.358,59 6.862,60 3163,61 3.737,62 5.328,63 1.992,64 1.784,65 4.396,66 1.327,67 1.71,68 1.286,69 1.327,70 6.8}
{0 CHEMBL105442,2 1.485,3 3.247,5 9.88,6 3.422,7 4.362,8 4.225,9 2.713,10 8.055,11 3.646,12 3.88,13 0.261,14 0.011,15 22.075,16 3.714,17 3.482,18 247,19 4.266,20 478.68,21 6.015,22 3.646,23 524,24 5.899,25 15.827,26 18.234,27 99.228,28 18.668,29 9.053,30 194.131,31 317.51,32 13255,33 2.872,34 435.952,35 0.661,37 5.56,38 22.128,39 9.226,40 3.249,41 3.394,42 2.716,43 12.286,44 41.529,45 1.85,46 26239,47 98,48 9.033,49 7.74,50 1026.7,51 12430.5,52 119.967,53 24.228,54 4.954,55 181.063,56 433.555,57 3.435,58 2.738,59 7.086,60 1031,61 3.788,62 4.31,63 1.676,64 1.429,65 3.932,66 0.174,67 0.193,68 0.158,69 0.174,70 5}
{0 CHEMBL1076555,2 1.58,3 3.288,5 9.85,6 3.395,7 2.925,8 3.368,9 2.746,10 5.812,11 2.968,12 3.816,13 0.072,14 0.006,15 6.942,16 3.116,17 2.875,18 197,19 3.391,20 302.8,21 3.894,22 2.995,23 425,24 5.649,25 11.949,26 14.803,27 82.433,28 13.401,29 3.007,30 137.58,31 241.67,32 7564,33 2.554,34 350.005,35 0.595,37 4.66,38 15.84,39 9.663,40 2.687,41 3.218,42 2.236,43 10.446,44 30.185,45 0.737,46 14266,47 64,48 7.239,49 3.629,50 645.045,51 6694.27,52 89.96,53 20.251,54 3.312,55 146.105,56 348.256,57 3.271,58 2.194,59 6.581,60 474,61 3.65,62 3.525,63 1.363,64 1.314,65 3.738,66 -0.208,67 -0.261,68 -0.142,69 -0.208,70 6}
{0 CHEMBL1081312,1 3.111,2 1.135,3 3.02,4 1,5 7.958,6 3.145,7 3.246,8 3.756,9 2.44,10 5.283,11 3.543,12 3.667,13 0.148,14 0.008,15 21.629,16 3.763,17 3.395,18 191,19 3.609,20 319.41,21 3.068,22 3.667,23 437,24 5.036,25 13.106,26 16.096,27 92.691,28 13.937,29 6.355,30 197.66,31 253.14,32 8972,33 2.583,34 355.925,35 0.622,37 5.388,38 17.167,39 11.719,40 2.869,41 3.4,42 2.619,43 11.81,44 30.081,45 1.154,46 14821,47 66,48 8.233,49 6.635,50 868.043,51 9735.16,52 110.695,53 22.753,54 2.139,55 161.014,56 384.635,57 3.399,58 2.488,59 7.803,60 760,61 3.677,62 4.503,63 1.86,64 1.59,65 3.945,66 0.683,67 0.792,68 0.666,69 0.683,70 6.2}
{0 CHEMBL1082440,2 1.017,3 2.853,5 7.182,6 2.953,7 2.916,8 3.491,9 2.204,10 5.958,11 3.575,12 3.61,13 0.09,14 0.008,15 22.632,16 3.746,17 3.325,18 158,19 3.283,20 319.47,21 4.175,22 3.568,23 336,24 4.523,25 13.728,26 15.992,27 87.781,28 15.417,29 8.108,30 213.82,31 282.37,32 6560,33 2.509,34 404.765,35 0.901,37 5.252,38 12.818,39 9.277,40 2.979,41 3.36,42 2.516,43 11.304,44 34.076,45 1.096,46 10220,47 50,48 9.015,49 8.121,50 682.077,51 7175.9,52 97.41,53 20.831,54 2.777,55 166.937,56 399.086,57 3.427,58 2.557,59 5.094,60 574,61 3.504,62 4.555,63 1.888,64 1.631,65 3.824,66 -0.213,67 -0.28,68 -0.207,69 -0.213,70 5.9}
{0 CHEMBL1084546,2 1.954,3 3.588,5 12.6,6 3.807,7 4.381,8 4.17,9 3.065,10 9.422,11 3.967,12 3.879,13 0.689,14 0.013,15 22.524,16 3.971,17 4.004,18 441,19 4.216,20 507.55,21 6.694,22 3.981,23 939,24 7.658,25 19.328,26 23.13,27 125.221,28 24.864,29 8.623,30 295.71,31 403.41,32 33557,33 2.97,34 545.954,35 0.482,37 6.417,38 36.485,39 11.775,40 3.277,41 3.667,42 2.92,43 16.097,44 59.334,45 1.978,46 67899,47 171,48 12.021,49 9.082,50 2265.17,51 35659.4,52 189.229,53 32.13,54 5.706,55 227.636,56 547.193,57 3.651,58 3.262,59 6.804,60 2486,61 3.749,62 4.804,63 1.802,64 1.756,65 4.274,66 1.483,67 2.007,68 1.422,69 1.483,70 6.2}
{0 CHEMBL1089101,1 3.072,2 1.725,3 3.311,5 10.12,6 3.469,7 3.348,8 3.538,9 2.779,10 6.49,11 3.331,12 3.617,13 0.171,14 0.009,15 15.981,16 3.499,17 3.285,18 253,19 3.517,20 338.42,21 4.179,22 3.457,23 556,24 6.005,25 13.681,26 16.518,27 93.438,28 16.099,29 4.68,30 228.215,31 292.86,32 11277,33 2.783,34 397.716,35 0.553,37 5.676,38 22.17,39 10.855,40 2.936,41 3.447,42 2.733,43 11.72,44 35.998,45 1.296,46 18909,47 89,48 8.45,49 6.385,50 1040.76,51 12367,52 120.013,53 24.152,54 3.003,55 172.404,56 412.425,57 3.46,58 2.643,59 6.862,60 852,61 3.605,62 4.232,63 1.918,64 1.742,65 3.965,66 1,67 1,68 0.952,69 1,70 5.7}
{0 CHEMBL1090356,2 2.852,3 4.006,5 17.093,6 4.204,7 4.321,8 4.48,9 3.489,10 12.539,11 4.38,12 3.875,13 0.545,14 0.009,15 35.305,16 4.428,17 4.295,18 735,19 4.409,20 587.76,21 8.038,22 4.34,23 1652,24 9.626,25 24.128,26 29.365,27 169.241,28 27.566,29 12.691,30 392.625,31 498.39,32 53511,33 3.27,34 679.889,35 0.297,37 6.056,38 66.581,39 15.902,40 3.554,41 3.973,42 3.103,43 21.646,44 58.258,45 2.25,46 93798,47 280,48 15.005,49 13.288,50 3796.62,51 70880.2,52 250.255,53 38.548,54 6.262,55 295.409,56 712.558,57 3.997,58 3.346,59 7.535,60 4620,61 3.849,62 5.045,63 2.007,64 1.901,65 4.514,66 1.447,67 2.081,68 1.418,69 1.447,70 5.6}
{0 CHEMBL1090360,2 2.795,3 3.962,5 16.395,6 4.15,7 4.352,8 4.524,9 3.472,10 12.539,11 4.421,12 3.875,13 0.493,14 0.008,15 38.312,16 4.48,17 4.338,18 705,19 4.456,20 587.76,21 8.038,22 4.391,23 1583,24 9.336,25 24.128,26 29.365,27 169.241,28 27.566,29 13.346,30 397.87,31 498.39,32 52183,33 3.27,34 679.889,35 0.308,37 6.116,38 62.919,39 15.952,40 3.552,41 3.973,42 3.104,43 21.646,44 58.174,45 2.236,46 91438,47 269,48 15.005,49 14.174,50 3747.48,51 69173.3,52 249.226,53 38.353,54 6.262,55 295.409,56 712.558,57 3.997,58 3.324,59 7.535,60 4506,61 3.849,62 5.111,63 2.007,64 1.901,65 4.514,66 1.448,67 2.084,68 1.418,69 1.448,70 7.3}
{0 CHEMBL116070,2 1.25,3 3.092,5 8.55,6 3.195,7 3.575,8 3.611,9 2.485,10 5.502,11 3.012,12 3.748,13 0.158,14 0.013,15 14.306,16 3.296,17 2.831,18 171,19 3.523,20 349.22,21 3.721,22 3.124,23 366,24 5.04,25 12.571,26 15.466,27 81.507,28 13.525,29 4.157,30 130.881,31 237.23,32 7291,33 2.564,34 333.857,35 0.715,37 4.712,38 13.92,39 9.963,40 2.886,41 3.191,42 2.074,43 10.617,44 29.947,45 0.928,46 14403,47 64,48 7.35,49 4.995,50 607.072,51 6117.76,52 88.066,53 19.768,54 2.864,55 144.09,56 343.339,57 3.235,58 2.445,59 6.862,60 488,61 3.31,62 3.513,63 1.538,64 1.535,65 3.736,66 -0.356,67 -0.46,68 -0.243,69 -0.356,70 5.9}
{0 CHEMBL1164180,2 2.243,3 3.656,5 13.486,6 3.887,7 4.217,8 4.387,9 3.122,10 9.846,11 4.116,12 3.795,13 0.496,14 0.011,15 38.216,16 4.197,17 4.048,18 472,19 4.284,20 503.02,21 6.801,22 4.15,23 1030,24 7.902,25 20.072,26 22.579,27 136.031,28 24.175,29 11.371,30 316.755,31 422.22,32 31017,33 2.997,34 568.765,35 0.412,37 6.288,38 40.661,39 12.101,40 3.334,41 3.742,42 2.941,43 15.852,44 52.274,45 1.856,46 56534,47 195,48 11.9,49 11.707,50 2312.94,51 36128.7,52 189.699,53 32.26,54 5.35,55 239.959,56 577.259,57 3.745,58 3.221,60 2332,61 3.686,62 4.976,63 1.952,64 1.799,65 4.294,66 1.291,67 1.611,68 1.201,69 1.291,70 5.7}
{0 CHEMBL1164265,2 2.129,3 3.66,5 13.242,6 3.845,7 3.972,8 4.175,9 3.132,10 9.415,11 4.014,12 3.793,13 0.41,14 0.011,15 28.72,16 4.095,17 3.922,18 437,19 4.182,20 471,21 6.371,22 4.036,23 962,24 7.649,25 19.117,26 21.709,27 130.49,28 22.331,29 10.055,30 297.498,31 398.85,32 25949,33 2.994,34 539.854,35 0.413,37 5.934,38 36.863,39 11.885,40 3.316,41 3.696,42 2.935,43 15.459,44 47.937,45 1.856,46 46104,47 173,48 11.383,49 10.127,50 2030.13,51 30365.3,52 175.717,53 30.79,54 4.63,55 229.168,56 550.93,57 3.704,58 3.126,60 1937,61 3.684,62 4.8,63 1.925,64 1.795,65 4.241,66 1.211,67 1.534,68 1.158,69 1.211,70 6.7}
{0 CHEMBL1173655,2 1.841,3 3.565,5 12.294,6 3.759,7 4.257,8 4.295,9 3.067,10 11.106,11 4.155,12 3.683,13 0.501,14 0.01,15 34.542,16 4.226,17 4.11,18 418,19 4.308,20 485.99,21 7.958,22 4.183,23 888,24 7.427,25 19.603,26 23.709,27 129.707,28 24.361,29 11.01,30 321.566,31 417.87,32 27786,33 3.013,34 585.404,35 0.507,37 6.172,38 41.059,39 11.54,40 3.341,41 3.692,42 2.804,43 16.263,44 56.504,45 2.037,46 50340,47 166,48 11.141,49 10.965,50 2108.56,51 32537.3,52 181.75,53 31.382,54 6.435,55 237.63,56 571.578,57 3.687,58 3.144,59 6.26,60 2346,61 3.6,62 4.972,63 1.902,64 1.699,65 4.254,66 1.315,67 1.687,68 1.19,69 1.315,70 5}
{0 CHEMBL117697,2 1.08,3 3.009,5 7.895,6 3.087,7 2.745,8 3.13,9 2.394,10 5.145,11 2.936,12 3.334,13 0.086,14 0.008,15 9.272,16 3.191,17 2.837,18 150,19 3.023,20 251.31,21 3.192,22 3.096,23 325,24 4.772,25 10.499,26 13.079,27 74.095,28 11.785,29 3.397,30 150.49,31 218.95,32 5300,33 2.495,34 314.192,35 0.731,37 4.764,38 11.296,39 10.037,40 2.719,41 3.15,42 2.474,43 9.365,44 27.765,45 0.924,46 8765,47 54,48 5.975,49 4.387,50 527.8,51 5151.62,52 81.803,53 18.846,54 2.453,55 133.435,56 317.342,57 3.156,58 2.246,60 406,61 3.237,62 3.749,63 1.574,64 1.356,65 3.697,66 -0.523,67 -0.719,68 -0.497,69 -0.523,70 4.6}
{0 CHEMBL1190711,2 1.577,3 3.341,5 10.241,6 3.496,7 3.865,8 4.008,9 2.76,10 7.971,11 3.841,12 3.831,13 0.404,14 0.011,15 20.111,16 3.949,17 3.797,18 297,19 3.979,20 390.44,21 5.229,22 3.918,23 637,24 6.248,25 15.787,26 20.38,27 105.109,28 19.024,29 7.468,30 237.556,31 324.85,32 17110,33 2.901,34 462.29,35 0.573,37 5.866,38 25.42,39 12.03,40 3.07,41 3.503,42 2.851,43 14.101,44 44.446,45 1.477,46 30958,47 113,48 8.688,49 7.57,50 1419.3,51 18817.4,52 145.456,53 27.084,54 3.69,55 193.597,56 464.136,57 3.472,58 2.805,59 6.605,60 1326,61 3.743,62 4.631,63 1.796,64 1.718,65 4.105,66 1,67 1.476,68 0.976,69 1,70 7}
{0 CHEMBL119385,2 1.745,3 3.35,5 10.857,6 3.537,7 3.814,8 4.1,9 2.901,10 7.61,11 3.378,12 3.802,13 0.222,14 0.01,15 15.059,16 3.576,17 3.275,18 304,19 3.773,20 436.28,21 5.174,22 3.494,23 659,24 6.335,25 16.195,26 19.449,27 108.721,28 19.037,29 5.159,30 184.75,31 339.84,32 18837,33 2.916,34 434.149,35 0.554,37 5.329,38 25.98,39 11.246,40 3.16,41 3.475,42 2.733,43 13.617,44 42.438,45 2.108,46 40448,47 114,48 9.471,49 5.842,50 1337.15,51 17189.3,52 139.301,53 26.455,54 3.701,55 185.822,56 445.166,57 3.491,58 2.859,60 1112,61 3.66,62 3.952,63 1.807,64 1.722,65 4.069,66 0.871,67 1.291,68 0.8,69 0.871,70 5.15}
{0 CHEMBL1230020,1 2.728,2 1.556,3 3.28,4 1,5 10,6 3.426,7 3.938,8 4.131,9 2.718,10 7.451,11 3.524,12 3.89,13 0.351,14 0.013,15 20.115,16 3.632,17 3.479,18 270,19 4.02,20 413.86,21 5.406,22 3.635,23 566,24 5.899,25 15.587,26 18.777,27 98.861,28 19.589,29 7.122,30 208.905,31 316.99,32 15673,33 2.808,34 434.639,35 0.705,37 5.865,38 22.217,39 10.574,40 3.155,41 3.441,42 2.594,43 13.035,44 46.765,45 1.261,46 31568,47 109,48 9.92,49 7.11,50 1202.48,51 14929.7,52 131.774,53 25.434,54 3.92,55 182.473,56 436.993,57 3.455,58 2.92,59 6.843,60 1117,61 3.767,62 4.354,63 1.877,64 1.748,65 4.011,66 0.545,67 0.778,68 0.489,69 0.545,70 5}
{0 CHEMBL1230122,2 2.258,3 3.505,5 11.893,6 3.676,7 3.711,8 3.906,9 3.067,10 7.82,11 3.674,12 3.685,13 0.312,14 0.011,15 22.284,16 3.765,17 3.624,18 333,19 3.806,20 388.41,21 5.248,22 3.735,23 725,24 6.802,25 15.115,26 17.933,27 100.648,28 18.789,29 7.417,30 229.329,31 327.41,32 17723,33 2.866,34 442.329,35 0.504,37 5.963,38 30.352,39 10.371,40 2.964,41 3.477,42 2.733,43 12.704,44 42.538,45 1.907,46 33537,47 112,48 8.85,49 7.345,50 1389.44,51 18222,52 140.899,53 26.866,54 4.012,55 181.594,56 434.85,57 3.442,58 2.985,60 1118,61 3.638,62 4.601,63 1.895,64 1.762,65 4.071,66 1,67 1,68 0.963,69 1,70 5.6}
{0 CHEMBL1230164,1 2.197,2 1.167,3 2.993,5 8,6 3.143,7 3.456,8 3.676,9 2.44,10 5.303,11 2.564,12 3.455,13 0.411,14 0.022,15 5.527,16 2.973,17 2.848,18 192,19 3.65,20 347.24,21 3.633,22 3.169,23 399,24 5.055,25 11.496,26 12.698,27 72.463,28 16.442,29 3.29,30 138.07,31 240.71,32 12464,33 2.444,34 320.913,35 0.819,37 5.705,38 16.424,39 10.419,40 2.72,41 3.215,42 2.239,43 8.648,44 38.958,45 1.059,46 28851,47 62,48 6.403,49 4.309,50 867.421,51 9777.54,52 110.828,53 22.586,54 3.02,55 133.96,56 318.621,57 3.117,58 2.646,59 6.862,60 746,61 3.184,62 3.831,63 1.31,64 1.251,65 3.896,66 -0.315,67 -0.403,68 -0.286,69 -0.315,70 5.3}
{0 CHEMBL1233887,1 3.327,2 1.17,3 3.002,4 2,5 7.81,6 3.091,7 2.854,8 3.426,9 2.453,10 4.603,11 3.098,12 3.439,13 0.128,14 0.011,15 11.769,16 3.337,17 2.98,18 164,19 3.234,20 278.34,21 2.722,22 3.268,23 365,24 4.785,25 11.791,26 14.397,27 79.871,28 12.419,29 3.613,30 168.015,31 223.99,32 6618,33 2.508,34 320.369,35 0.696,37 4.959,38 14.045,39 11.387,40 2.858,41 3.253,42 2.471,43 10.258,44 27.889,45 1.017,46 11108,47 61,48 6.692,49 4.676,50 649.197,51 6627.37,52 92.691,53 20.313,54 1.911,55 142.429,56 339.286,57 3.247,58 2.454,59 7.636,60 529,61 3.353,62 3.965,63 1.797,64 1.665,65 3.804,66 0.347,67 0.51,68 0.321,69 0.347,70 5.3}
{0 CHEMBL1236107,2 1.675,3 3.413,5 10.731,6 3.537,7 3.466,8 3.757,9 2.902,10 6.114,11 3.445,12 3.851,13 0.172,14 0.007,15 8.904,16 3.532,17 3.387,18 279,19 3.696,20 359.45,21 3.61,22 3.485,23 634,24 6.261,25 14.629,26 17.863,27 103.098,28 15.354,29 4.082,30 201.376,31 270.13,32 13651,33 2.736,34 388.113,35 0.465,37 5.121,38 22.385,39 13.074,40 3.007,41 3.437,42 2.633,43 13.167,44 33.97,45 1.414,46 24672,47 93,48 8.82,49 4.658,50 1149.49,51 14195.1,52 127.048,53 25.09,54 2.841,55 172.955,56 413.771,57 3.455,58 2.752,59 7.391,60 988,61 3.65,62 4.023,63 1.724,64 1.502,65 4.022,66 0.761,67 1.098,68 0.714,69 0.761,70 5}
{0 CHEMBL1236126,2 1.969,3 3.521,5 11.656,6 3.74,7 3.981,8 4.119,9 2.977,10 9.572,11 3.964,12 3.691,13 0.527,14 0.013,15 27.739,16 4.061,17 3.917,18 373,19 4.008,20 440.5,21 7.043,22 4,23 768,24 7.274,25 17.993,26 23.466,27 115.911,28 23.544,29 8.755,30 283.928,31 389.72,32 23852,33 2.878,34 582.768,35 0.595,37 6.116,38 36.977,39 10.948,40 3.293,41 3.608,42 2.795,43 15.096,44 60.984,45 1.933,46 42978,47 128,48 9.992,49 10.638,50 1854.85,51 27365.6,52 168.214,53 29.842,54 5.583,55 221.502,56 532.226,57 3.601,58 2.919,59 7.034,60 1930,61 3.637,62 4.822,63 1.967,64 1.745,65 4.177,66 1.054,67 1.588,68 1.043,69 1.054,70 5.3}
{0 CHEMBL1240703,2 1.508,3 3.332,4 2,5 10.955,6 3.497,7 4.64,8 5.004,9 2.771,10 9.005,11 4.855,12 3.885,13 0.966,14 0.012,15 67.314,16 5.022,17 4.751,18 482,19 4.881,20 586.69,21 5.397,22 4.938,23 1118,24 6.401,25 24.444,26 30.068,27 162.643,28 26.371,29 25.466,30 405.583,31 488.41,32 39485,33 3.228,34 661.162,35 0.473,37 6.751,38 42.955,39 17.257,40 3.432,41 4.027,42 3.132,43 21.346,44 51.439,45 2.377,46 69378,47 213,48 14.887,49 28.908,50 3308.49,51 52353.2,52 241.215,53 36.54,54 3.203,55 286.137,56 689.934,57 4.028,58 3.482,59 8.367,60 3014,61 3.858,62 5.703,63 2.019,64 1.907,65 4.548,66 1.736,67 2.21,68 1.668,69 1.736,70 5}
{0 CHEMBL1241473,2 1.672,3 3.455,5 11.25,6 3.651,7 4.039,8 4.119,9 2.854,10 10.236,11 3.76,12 3.828,13 0.385,14 0.009,15 26.029,16 3.925,17 3.802,18 360,19 4.111,20 440.46,21 7.426,22 3.929,23 744,24 6.994,25 17.41,26 23.25,27 115.249,28 23.214,29 6.202,30 249.139,31 374.48,32 24162,33 2.976,34 540.061,35 0.611,37 6.356,38 31.25,39 11.04,40 3.144,41 3.546,42 2.868,43 15.371,44 60.943,45 1.878,46 45694,47 122,48 9.118,49 8.375,50 1810.85,51 26520.7,52 167.329,53 29.626,54 5.252,55 212.979,56 511.429,57 3.498,58 2.972,60 1728,61 3.66,62 4.767,63 1.799,64 1.746,65 4.181,66 1.116,67 1.475,68 1.01,69 1.116,70 7.8}
{0 CHEMBL1241674,1 3.313,2 1.18,3 3.012,4 1,5 8.043,6 3.132,7 3.148,8 3.621,9 2.442,10 5.047,11 3.372,12 3.445,13 0.24,14 0.014,15 18.592,16 3.616,17 3.239,18 185,19 3.399,20 308.38,21 3.112,22 3.508,23 405,24 4.958,25 12.778,26 16.137,27 89.221,28 14.182,29 5.846,30 186.621,31 245.99,32 8299,33 2.499,34 366.651,35 0.703,37 5.26,38 16.246,39 11.553,40 2.868,41 3.326,42 2.618,43 11.042,44 31.647,45 1.019,46 14062,47 72,48 7.351,49 5.868,50 792.445,51 8611.62,52 104.624,53 21.866,54 2.186,55 156.017,56 372.442,57 3.316,58 2.681,59 7.662,60 675,61 3.413,62 4.324,63 1.839,64 1.68,65 3.883,66 0.468,67 0.683,68 0.449,69 0.468,70 5.886}
{0 CHEMBL1242373,2 1.922,3 3.502,5 11.759,6 3.693,7 3.493,8 3.814,9 2.962,10 7.213,11 3.641,12 3.823,13 0.246,14 0.01,15 19.142,16 3.728,17 3.52,18 341,19 3.578,20 401.53,21 4.533,22 3.633,23 766,24 6.975,25 16.638,26 20.311,27 117.722,28 18.226,29 7.447,30 247.323,31 337.02,32 17910,33 2.921,34 453.433,35 0.432,37 5.344,38 28.775,39 12.655,40 3.118,41 3.602,42 2.811,43 14.489,44 39.843,45 1.906,46 31373,47 115,48 10.198,49 7.172,50 1499.32,51 20251.6,52 147.745,53 27.622,54 3.39,55 201.732,56 483.987,57 3.639,58 2.991,59 7.081,60 1232,61 3.769,62 4.367,63 1.787,64 1.759,65 4.121,66 1.181,67 1.729,68 1.178,69 1.181,70 5.6}
{0 CHEMBL124660,2 3.243,3 4.128,5 18.659,6 4.34,7 4.174,8 4.265,9 3.647,10 14.388,11 4.308,12 3.725,13 0.448,14 0.009,15 42.617,16 4.386,17 4.223,18 765,19 4.214,20 562.79,21 10.415,22 4.276,23 1652,24 10.427,25 24.473,26 28.606,27 160.828,28 29.679,29 12.756,30 437.354,31 527.76,32 46350,33 3.216,34 755.002,35 0.32,37 6.094,38 71.748,39 12.159,40 3.419,41 3.939,42 3.02,43 19.996,44 66.785,45 2.195,46 72394,47 273,48 14.754,49 14.519,50 3558.6,51 67410.3,52 239.147,53 37.724,54 7.936,55 301.57,56 727.591,57 3.959,58 3.274,60 4089,61 3.701,62 5.196,63 1.999,64 1.836,65 4.448,66 1.497,67 1.753,68 1.41,69 1.497,70 5.15}
{0 CHEMBL127898,2 1.737,3 3.579,5 13,6 3.802,7 4.44,8 4.33,9 3.006,10 10.951,11 4.365,12 3.788,13 0.828,14 0.012,15 27.347,16 4.359,17 4.351,18 494,19 4.365,20 519.52,21 7.696,22 4.315,23 1041,24 7.677,25 20.23,26 24.949,27 134.423,28 26.705,29 12.067,30 307.498,31 453.5,32 39867,33 3.055,34 610.122,35 0.521,37 6.375,38 43.235,39 10.686,40 3.336,41 3.746,42 2.892,43 16.96,44 67.116,45 2.44,46 80312,47 194,48 11.18,49 13.533,50 2672.77,51 43808.8,52 208.94,53 34.045,54 5.98,55 245.834,56 591.595,57 3.716,58 3.311,59 6.555,60 3068,61 3.687,62 5.058,63 1.836,64 1.731,65 4.355,66 1.147,67 1.586,68 1.047,69 1.147,70 5}
{0 CHEMBL1287853,2 2.793,3 3.948,5 16.351,6 4.193,7 4.098,8 4.156,9 3.422,10 11.782,11 4.27,12 3.803,13 0.432,14 0.01,15 41.493,16 4.337,17 4.136,18 605,19 4.197,20 524.76,21 8.705,22 4.205,23 1286,24 9.572,25 22.73,26 26.718,27 147.876,28 27.337,29 13.165,30 377.063,31 480.64,32 35731,33 3.055,34 694.546,35 0.374,37 6.039,38 54.171,39 11.661,40 3.491,41 3.842,42 2.976,43 18.393,44 65.257,45 1.746,46 57016,47 223,48 14.027,49 13.852,50 2792.67,51 48931,52 209.085,53 34.67,54 8.141,55 277.729,56 669.419,57 3.889,58 3.387,59 6.26,60 2967,61 3.706,62 5.076,63 1.955,64 1.774,65 4.33,66 1.353,67 1.654,68 1.278,69 1.353,70 5}
{0 CHEMBL1289926,1 3.076,2 2.265,3 3.561,5 12.286,6 3.752,7 3.583,8 3.804,9 3.067,10 8.322,11 3.705,12 3.805,13 0.271,14 0.01,15 18.187,16 3.841,17 3.601,18 344,19 3.746,20 386.51,21 5.448,22 3.752,23 746,24 7.218,25 16.033,26 19.7,27 114.788,28 18.33,29 6.853,30 242.574,31 335.74,32 17078,33 2.789,34 466.205,35 0.457,37 5.489,38 31.077,39 12.607,40 3.169,41 3.55,42 2.789,43 14.15,44 42.629,45 1.441,46 29751,47 118,48 9.623,49 7.871,50 1418.13,51 19263.3,52 142.529,53 27.141,54 4.128,55 199.404,56 478.306,57 3.596,58 2.759,59 6.823,60 1178,61 3.767,62 4.411,63 1.936,64 1.831,65 4.076,66 1,67 1.5,68 0.956,69 1,70 6.456}
{0 CHEMBL1336,2 2.451,3 3.763,5 14.281,6 4.01,7 3.681,8 3.841,9 3.254,10 10.003,11 3.61,12 3.792,13 0.411,14 0.014,15 16.236,16 3.684,17 3.582,18 457,19 3.977,20 464.86,21 7.36,22 3.67,23 952,24 8.626,25 17.213,26 21.303,27 110.459,28 23.544,29 6.388,30 243.814,31 376.83,32 31467,33 2.861,34 514.074,35 0.452,37 5.663,38 37.637,39 10.836,40 3.356,41 3.555,42 2.786,43 14.229,44 61.745,45 1.789,46 65351,47 152,48 9.441,49 6.854,50 1989.05,51 31334,52 172.898,53 30.681,54 6.443,55 208.921,56 501.528,57 3.517,58 3.124,60 1830,61 3.731,62 4.383,63 1.896,64 1.8,65 4.178,66 1.102,67 1.566,68 1.069,69 1.102,70 5.41}
{0 CHEMBL1375418,2 1.625,3 3.403,5 10.75,6 3.529,7 3.216,8 3.469,9 2.892,10 6.324,11 3.45,12 3.753,13 0.189,14 0.009,15 13.599,16 3.542,17 3.336,18 258,19 3.322,20 315.41,21 3.875,22 3.444,23 572,24 6.204,25 13.347,26 16.355,27 98.445,28 14.705,29 5.327,30 190.15,31 272.82,32 10312,33 2.687,34 388.599,35 0.504,37 5.046,38 21.382,39 11.418,40 2.834,41 3.397,42 2.735,43 11.793,44 33.99,45 1,46 16664,47 94,48 7.868,49 5.174,50 973.943,51 11541.2,52 114.92,53 23.639,54 3.118,55 168.149,56 402.043,57 3.417,58 2.714,59 6.843,60 782,61 3.723,62 4.15,63 1.885,64 1.79,65 3.932,66 0.782,67 0.988,68 0.742,69 0.782,70 5.1}
{0 CHEMBL1375640,2 1.545,3 3.243,5 9.5,6 3.403,7 3.198,8 3.745,9 2.704,10 6.588,11 3.185,12 3.721,13 0.147,14 0.009,15 11.148,16 3.335,17 3.081,18 209,19 3.359,20 332.84,21 4.549,22 3.222,23 447,24 5.802,25 13.357,26 16.38,27 89.112,28 15.192,29 4.123,30 168.77,31 263.67,32 9323,33 2.637,34 382.453,35 0.606,37 4.961,38 17.545,39 9.774,40 2.952,41 3.277,42 2.596,43 11.328,44 34.595,45 1.031,46 17262,47 64,48 7.752,49 4.835,50 785.996,51 8790.84,52 102.018,53 21.872,54 3.561,55 159.693,56 381.412,57 3.314,58 2.438,59 6.804,60 620,61 3.537,62 3.869,63 1.695,64 1.484,65 3.826,66 -0.165,67 -0.196,68 -0.114,69 -0.165,70 5.8}
{0 CHEMBL1419458,2 1.592,3 3.332,5 10.607,6 3.546,7 3.543,8 3.938,9 2.727,10 7.882,11 3.433,12 3.762,13 0.206,14 0.008,15 14.652,16 3.57,17 3.433,18 297,19 3.856,20 375.39,21 4.975,22 3.621,23 650,24 6.449,25 14.298,26 19.347,27 104.153,28 17.675,29 4.222,30 198.905,31 294.52,32 17295,33 2.687,34 425.945,35 0.536,37 5.637,38 27.495,39 10.873,40 2.952,41 3.412,42 2.735,43 13.737,44 42.273,45 1.309,46 32963,47 125,48 8.068,49 4.549,50 1340.31,51 17709.9,52 140.017,53 26.705,54 3.718,55 178.279,56 426.761,57 3.366,58 2.536,59 7.413,60 1370,61 3.612,62 4.325,63 1.595,64 1.536,65 4.072,66 1,67 1.5,68 0.983,69 1,70 5}
{0 CHEMBL1421,2 2.349,3 3.77,5 14.515,6 3.973,7 3.899,8 4.3,9 3.242,10 10.847,11 3.905,12 3.872,13 0.28,14 0.008,15 32.202,16 4.07,17 3.791,18 479,19 4.105,20 488.07,21 7.884,22 3.938,23 1026,24 8.272,25 20.08,26 24.225,27 130.334,28 23.984,29 9.003,30 313.566,31 411.56,32 27529,33 2.993,34 599.738,35 0.419,37 5.736,38 39.278,39 11.14,40 3.265,41 3.681,42 2.957,43 16.62,44 54.607,45 1.66,46 48685,47 182,48 11.853,49 11.075,50 2097.49,51 32631.5,52 178.143,53 31.192,54 6.05,55 240.898,56 579.551,57 3.71,58 3.091,59 6.581,60 2001,61 3.722,62 4.729,63 1.843,64 1.692,65 4.224,66 1.12,67 1.553,68 1.051,69 1.12,70 5.505}
{0 CHEMBL1421720,2 1.284,3 3.049,5 8.056,6 3.182,7 2.778,8 3.307,9 2.461,10 5.145,11 2.932,12 3.515,13 0.068,14 0.007,15 8.426,16 3.061,17 2.753,18 145,19 3.182,20 274.39,21 3.369,22 2.917,23 319,24 5.048,25 11.054,26 13.079,27 75.278,28 11.785,29 3.363,30 130.606,31 213.01,32 5391,33 2.289,34 304.931,35 0.64,37 4.403,38 12.123,39 9.08,40 2.682,41 3.138,42 2.164,43 9.672,44 25.91,45 0.591,46 9674,47 42,48 7.185,49 3.454,50 486.785,51 4672.51,52 77.189,53 18.339,54 2.774,55 132.646,56 315.415,57 3.227,58 2.333,59 7.273,60 344,61 3.355,62 3.429,63 1.557,64 1.432,65 3.639,66 -0.508,67 -0.704,68 -0.508,69 -0.508,70 5.3}
{0 CHEMBL1461728,1 2.827,2 1.219,3 3.059,5 8.053,6 3.174,7 2.803,8 3.014,9 2.458,10 4.729,11 2.824,12 3.417,13 0.103,14 0.009,15 7.119,16 3.006,17 2.778,18 153,19 3.046,20 255.27,21 2.918,22 2.968,23 334,24 5.034,25 9.852,26 12.372,27 69.544,28 11.724,29 3.033,30 140.881,31 207.72,32 6201,33 2.175,34 285.477,35 0.665,37 4.856,38 11.889,39 9.528,40 2.792,41 3.112,42 2.05,43 8.826,44 27.923,45 0.633,46 11608,47 45,48 5.723,49 3.333,50 542.804,51 5359.8,52 82.627,53 19.068,54 2.428,55 125.041,56 296.86,57 3.099,58 2.327,59 6.581,60 392,61 3.242,62 3.589,63 1.465,64 1.313,65 3.689,66 -0.408,67 -0.516,68 -0.353,69 -0.408,70 5.2}
{0 CHEMBL14762,2 1.462,3 3.228,5 9.462,6 3.393,7 3.736,8 3.827,9 2.676,10 8.475,11 4.031,12 3.6,13 0.38,14 0.012,15 30.375,16 3.969,17 3.9,18 246,19 3.846,20 354.51,21 6.069,22 3.896,23 513,24 5.937,25 15.476,26 18.518,27 106.143,28 18.617,29 9.501,30 257.403,31 323.79,32 11124,33 2.717,34 500.084,35 0.678,37 5.779,38 24.935,39 10.168,40 3.093,41 3.472,42 2.735,43 12.618,44 43.987,45 1.075,46 16884,47 96,48 9.017,49 6.888,50 1102.79,51 13859,52 126.185,53 24.877,54 4.34,55 195.115,56 467.841,57 3.496,58 2.77,59 6.862,60 1070,61 3.55,62 4.877,63 1.937,64 1.691,65 3.986,66 0.618,67 0.618,68 0.572,69 0.618,70 5}
{0 CHEMBL1516890,2 0.984,3 2.984,4 1,5 7.905,6 3.071,7 2.901,8 3.405,9 2.332,10 4.487,11 3.166,12 3.418,13 0.089,14 0.007,15 11.775,16 3.336,17 3.07,18 166,19 3.316,20 275.33,21 2.61,22 3.294,23 372,24 4.779,25 11.499,26 14.397,27 81.405,28 12.215,29 3.82,30 166.219,31 238.55,32 6630,33 2.539,34 317.225,35 0.68,37 5.129,38 12.327,39 11.159,40 2.724,41 3.273,42 2.394,43 10.237,44 27.912,45 1.064,46 11147,47 50,48 6.764,49 4.17,50 644.947,51 6637.01,52 92.787,53 20.324,54 1.851,55 142.299,56 338.97,57 3.282,58 2.629,59 7.711,60 489,61 3.404,62 4.002,63 1.792,64 1.65,65 3.804,66 -0.077,67 -0.103,68 -0.075,69 -0.077,70 6.5}
{0 CHEMBL1614701,2 1.317,3 3.224,5 9.815,6 3.374,7 4.302,8 4.272,9 2.658,10 8.541,11 3.728,12 3.944,13 0.417,14 0.013,15 26.345,16 3.795,17 3.674,18 265,19 4.239,20 457.71,21 6.34,22 3.784,23 553,24 5.818,25 16.435,26 20.181,27 102.384,28 20.044,29 8.19,30 217.722,31 322.69,32 15494,33 2.813,34 470.565,35 0.728,37 5.806,38 23.923,39 10.541,40 3.238,41 3.419,42 2.615,43 13.356,44 46.543,45 1.772,46 31134,47 120,48 8.977,49 7.214,50 1184.36,51 14907.7,52 131.576,53 25.445,54 4.253,55 188.852,56 452.558,57 3.406,58 2.729,59 6.823,60 1213,61 3.385,62 4.555,63 1.738,64 1.498,65 4.016,66 0.664,67 0.724,68 0.587,69 0.664,70 5}
{0 CHEMBL1614705,1 3.078,2 1.565,3 3.328,5 10.621,6 3.495,7 3.956,8 4.108,9 2.86,10 8.478,11 3.915,12 3.73,13 0.439,14 0.013,15 31.558,16 4.062,17 3.827,18 308,19 4.083,20 415.89,21 5.791,22 3.985,23 661,24 6.187,25 16.233,26 20.01,27 107.681,28 19.807,29 10.025,30 246.078,31 342.52,32 17925,33 2.8,34 488.886,35 0.598,37 6.032,38 28.145,39 10.334,40 3.236,41 3.539,42 2.733,43 13.958,44 44.382,45 1.425,46 34431,47 131,48 9.647,49 10.25,50 1418.97,51 18614.6,52 145.011,53 27.074,54 3.98,55 198.192,56 475.349,57 3.537,58 2.833,59 6.862,60 1481,61 3.637,62 4.83,63 1.841,64 1.737,65 4.103,66 1,67 1.257,68 0.939,69 1,70 6}
{0 CHEMBL162,2 0.986,3 2.956,4 2,5 8.057,6 3.062,7 3.935,8 4.686,9 2.248,10 6.65,11 4.389,12 3.781,13 0.411,14 0.012,15 47.876,16 4.709,17 4.21,18 282,19 4.425,20 466.58,21 3.859,22 4.58,23 655,24 5.059,25 19.884,26 23.637,27 131.874,28 20.312,29 17.849,30 323.51,31 383.55,32 19467,33 3.042,34 507.97,35 0.616,37 6.201,38 25.211,39 15.919,40 3.272,41 3.826,42 2.985,43 17.08,44 39.627,45 2.011,46 32464,47 104,48 12.253,49 21.781,50 1821.68,51 24785.1,52 176.229,53 29.807,54 2.213,55 230.101,56 553.206,57 3.832,58 3.365,59 8.32,60 1554,61 3.692,62 5.314,63 1.955,64 1.889,65 4.332,66 1.435,67 1.997,68 1.418,69 1.435,70 7.62}
{0 CHEMBL1624529,2 1.307,3 3.256,5 10.033,6 3.392,7 3.925,8 4.225,9 2.681,10 6.56,11 3.717,12 3.808,13 0.522,14 0.015,15 21.116,16 3.862,17 3.741,18 301,19 4.23,20 416.39,21 4.177,22 3.925,23 665,24 5.881,25 15.35,26 18.706,27 101.04,28 19.103,29 8.267,30 231.133,31 335.78,32 19356,33 2.822,34 433.392,35 0.575,37 6.209,38 26.596,39 10.777,40 3.049,41 3.545,42 2.645,43 13.042,44 41.214,45 2.028,46 38791,47 126,48 9.211,49 8.258,50 1475.55,51 19389.5,52 149.877,53 27.505,54 3.008,55 182.064,56 435.997,57 3.501,58 3.205,59 8.304,60 1442,61 3.745,62 4.664,63 1.732,64 1.573,65 4.136,66 1.08,67 1.397,68 1.018,69 1.08,70 5}
{0 CHEMBL1682358,1 2.775,2 1.636,3 3.241,5 9.5,6 3.402,7 2.865,8 3.359,9 2.698,10 5.316,11 3.13,12 3.728,13 0.056,14 0.004,15 8.671,16 3.201,17 3.02,18 209,19 3.147,20 290.35,21 3.166,22 3.145,23 469,24 5.767,25 11.783,26 14.941,27 85.546,28 13.105,29 3.638,30 171.362,31 238.65,32 8567,33 2.456,34 334.479,35 0.529,37 4.679,38 17.901,39 11.197,40 2.789,41 3.309,42 2.356,43 10.793,44 30.076,45 1,46 14702,47 72,48 7.029,49 3.993,50 785.953,51 8673.32,52 101.742,53 21.857,54 2.524,55 149.094,56 355.548,57 3.315,58 2.492,59 7.391,60 614,61 3.603,62 3.766,63 1.644,64 1.489,65 3.848,66 0.61,67 0.889,68 0.599,69 0.61,70 6.3}
{0 CHEMBL1682540,1 2.937,2 1.136,3 2.924,5 7.222,6 3.002,7 2.41,8 2.999,9 2.281,10 3.57,11 2.5,12 3.382,13 0.054,14 0.007,15 5.727,16 2.825,17 2.408,18 130,19 2.772,20 235.27,21 1.915,22 2.761,23 299,24 4.498,25 9.408,26 11.949,27 68.032,28 9.656,29 2.102,30 128.382,31 174.3,32 4824,33 2.045,34 248.393,35 0.679,37 4.288,38 10.617,39 11.018,40 2.727,41 3.077,42 2.031,43 8.899,44 22.733,45 0.402,46 8503,47 36,48 5.633,49 2.341,50 459.265,51 4207.15,52 75.274,53 17.872,54 1.499,55 116.45,56 275.897,57 3.059,58 2.444,59 7.413,60 316,61 3.309,62 3.293,63 1.475,64 1.364,65 3.667,66 -0.589,67 -0.815,68 -0.574,69 -0.589,70 5}
{0 CHEMBL1682545,1 2.956,2 1.601,3 3.236,5 9.381,6 3.374,7 2.803,8 3.399,9 2.701,10 5.299,11 3.03,12 3.795,13 0.056,14 0.004,15 7.291,16 3.18,17 2.913,18 197,19 3.18,20 292.39,21 3.164,22 3.068,23 446,24 5.633,25 11.893,26 14.424,27 85.95,28 12.539,29 3.215,30 155.71,31 231.07,32 7767,33 2.48,34 323.534,35 0.53,37 4.556,38 16.653,39 11.065,40 2.829,41 3.278,42 2.262,43 10.836,44 28.192,45 1,46 13564,47 65,48 7.475,49 3.84,50 708.442,51 7553.57,52 95.579,53 21.045,54 2.545,55 146.636,56 349.551,57 3.322,58 2.469,59 7.273,60 537,61 3.716,62 3.593,63 1.469,64 1.356,65 3.808,66 0.394,67 0.588,68 0.377,69 0.394,70 6.3}
{0 CHEMBL1682546,1 2.962,2 1.727,3 3.339,5 10.182,6 3.495,7 2.887,8 3.521,9 2.777,10 5.894,11 3.158,12 3.824,13 0.076,14 0.005,15 10.856,16 3.339,17 3.019,18 224,19 3.348,20 306.42,21 3.608,22 3.206,23 505,24 6.098,25 12.6,26 15.131,27 92.27,28 13.467,29 4.286,30 173.362,31 248.37,32 8961,33 2.521,34 349.611,35 0.484,37 4.661,38 18.942,39 11.087,40 2.835,41 3.334,42 2.458,43 11.336,44 30.157,45 1,46 15407,47 74,48 7.932,49 4.594,50 807.332,51 9097.63,52 102.821,53 22.127,54 2.908,55 156.228,56 372.957,57 3.384,58 2.514,59 7.273,60 620,61 3.742,62 3.783,63 1.56,64 1.396,65 3.851,66 0.519,67 0.65,68 0.468,69 0.519,70 5}
{0 CHEMBL1682552,1 3.002,2 1.258,3 3.103,5 8.56,6 3.237,7 3.476,8 3.863,9 2.504,10 6.158,11 3.883,12 3.704,13 0.186,14 0.008,15 25.212,16 4.015,17 3.714,18 214,19 3.775,20 332.45,21 3.673,22 3.9,23 488,24 5.375,25 13.943,26 16.64,27 98.492,28 14.912,29 9.285,30 219.624,31 276.74,32 9971,33 2.801,34 390.068,35 0.574,37 5.499,38 19.373,39 11.957,40 2.949,41 3.467,42 2.773,43 12.382,44 31.82,45 1.266,46 15881,47 81,48 8.915,49 8.877,50 971.075,51 11459.3,52 117.972,53 23.787,54 2.687,55 173.405,56 414.867,57 3.484,58 2.518,59 7.535,60 908,61 3.721,62 4.706,63 1.911,64 1.809,65 3.988,66 1,67 1,68 0.998,69 1,70 5}
{0 CHEMBL1682553,1 2.968,2 1.136,3 2.925,5 7.409,6 3.068,7 2.996,8 3.608,9 2.244,10 5.109,11 3.42,12 3.479,13 0.162,14 0.012,15 18.859,16 3.691,17 3.227,18 163,19 3.397,20 292.38,21 3.085,22 3.55,23 361,24 4.847,25 12.408,26 15.104,27 86.645,28 13.286,29 6.66,30 181.911,31 237.2,32 7223,33 2.499,34 347.961,35 0.699,37 5.135,38 15.215,39 11.436,40 2.806,41 3.296,42 2.57,43 10.72,44 29.666,45 1.053,46 11763,47 56,48 7.253,49 7.06,50 708.695,51 7601.44,52 98.66,53 21.144,54 2.273,55 152.021,56 362.691,57 3.298,58 2.518,59 7.535,60 624,61 3.459,62 4.354,63 1.878,64 1.637,65 3.848,66 0.399,67 0.595,68 0.384,69 0.399,70 5.5}
{0 CHEMBL1682554,1 2.978,2 1.282,3 3.083,5 8.478,6 3.217,7 3.266,8 3.652,9 2.509,10 6.012,11 3.635,12 3.505,13 0.151,14 0.008,15 20.012,16 3.776,17 3.473,18 195,19 3.559,20 306.41,21 3.717,22 3.662,23 431,24 5.236,25 12.952,26 15.648,27 91.352,28 14.218,29 7.061,30 208.905,31 254.5,32 8210,33 2.704,34 369.853,35 0.647,37 5.327,38 18.302,39 11.518,40 2.934,41 3.351,42 2.559,43 11.365,44 31.629,45 1.119,46 13002,47 87,48 7.87,49 7.116,50 813.911,51 9080.44,52 105.767,53 22.209,54 2.574,55 161.613,56 386.096,57 3.362,58 2.518,59 7.535,60 751,61 3.525,62 4.477,63 1.906,64 1.689,65 3.893,66 0.495,67 0.602,68 0.47,69 0.495,70 5.8}
{0 CHEMBL1682558,1 2.995,2 1.486,3 3.299,5 10.034,6 3.469,7 3.891,8 4.019,9 2.738,10 7.975,11 4.059,12 3.74,13 0.258,14 0.007,15 29.431,16 4.156,17 3.96,18 291,19 4.032,20 391.49,21 5.046,22 4.066,23 651,24 6.25,25 16.014,26 18.761,27 111.013,28 18.347,29 10.384,30 254.539,31 329.86,32 16678,33 2.824,34 455.618,35 0.508,37 5.842,38 28.54,39 11.575,40 3.106,41 3.582,42 2.799,43 13.882,44 39.268,45 1.475,46 29337,47 122,48 9.825,49 10.895,50 1408.59,51 18930.3,52 145.501,53 27.26,54 3.782,55 197.654,56 474.037,57 3.586,58 2.997,59 7.413,60 1582,61 3.644,62 4.878,63 1.96,64 1.752,65 4.123,66 1,67 1.484,68 1,69 1,70 6.4}
{0 CHEMBL1721885,1 3.144,2 2.219,3 3.644,4 1,5 13.219,6 3.863,7 3.934,8 4.038,9 3.082,10 9.549,11 3.971,12 3.711,13 0.43,14 0.012,15 32.436,16 4.053,17 3.912,18 423,19 4.002,20 442.54,21 6.767,22 3.982,23 916,24 7.755,25 18.127,26 21.957,27 119.219,28 22.679,29 9.999,30 313.566,31 399.33,32 24393,33 2.879,34 558.306,35 0.45,37 6.219,38 36,39 10.638,40 3.157,41 3.661,42 2.941,43 14.936,44 52.053,45 2.075,46 43244,47 158,48 10.617,49 10.501,50 1916.02,51 28585.6,52 169.78,53 30.254,54 4.968,55 222.762,56 535.299,57 3.66,58 3.048,59 7.703,60 1848,61 3.614,62 4.921,63 1.852,64 1.708,65 4.192,66 1.311,67 1.412,68 1.188,69 1.311,70 6.585}
{0 CHEMBL1727312,2 0.781,3 2.594,5 5.75,6 2.602,7 0.441,8 2.427,9 1.805,10 3.56,11 1.458,12 3.254,15 3.585,16 2.339,17 1.12,18 92,19 1.674,20 210.25,21 2.065,22 2.115,23 203,24 3.602,25 8.527,26 10.958,27 61.741,28 9.278,29 1.341,30 102.702,31 186.89,32 3020,33 1.793,34 247.306,35 1.014,37 2.996,38 7.172,39 9.09,40 2.575,41 3.008,42 1.613,43 7.843,44 21.588,45 0.137,46 4944,47 22,48 5.109,49 2.328,50 312.203,51 2618.89,52 61.927,53 15.539,54 1.559,55 110.384,56 261.096,57 3.019,58 2.285,59 5.38,60 154,61 3.095,62 2.554,63 1.349,64 1.207,65 3.537,66 -0.86,67 -1.204,68 -0.856,69 -0.86,70 5}
{0 CHEMBL17370,1 3.425,2 1.402,3 3.259,5 9.923,6 3.403,7 3.648,8 3.87,9 2.724,10 7.247,11 3.839,12 3.781,13 0.326,14 0.012,15 20.731,16 3.942,17 3.703,18 258,19 3.832,20 361.47,21 4.659,22 3.834,23 562,24 5.851,25 14.925,26 17.416,27 104.37,28 16.713,29 8.701,30 193.722,31 307.36,32 12768,33 2.687,34 422.22,35 0.597,37 5.612,38 23.663,39 10.68,40 2.849,41 3.488,42 2.735,43 12.905,44 37.756,45 1.169,46 22824,47 108,48 9.376,49 7.839,50 1105.88,51 13579.8,52 125.644,53 24.817,54 3.485,55 183.147,56 438.638,57 3.535,58 2.723,59 6.862,60 1030,61 3.744,62 4.553,63 1.92,64 1.812,65 4.005,66 1,67 1.5,68 0.983,69 1,70 6.2}
{0 CHEMBL178737,2 2.107,3 3.593,4 1,5 12.811,6 3.763,7 4.14,8 4.429,9 3.123,10 8.751,11 4.25,12 3.766,13 0.432,14 0.009,15 34.763,16 4.382,17 4.181,18 474,19 4.349,20 496.57,21 5.34,22 4.335,23 1083,24 7.267,25 20.015,26 25.095,27 134.974,28 22.577,29 12.003,30 331.775,31 415.02,32 31635,33 3.012,34 540.73,35 0.404,37 6.169,38 40.634,39 14.042,40 3.357,41 3.806,42 2.941,43 18.097,44 46.7,45 2.237,46 57462,47 182,48 12.351,49 13.907,50 2505.89,51 38153.2,52 199.723,53 33.086,54 3.581,55 239.632,56 576.462,57 3.79,58 3.111,59 8.138,60 2401,61 3.646,62 5.081,63 1.926,64 1.732,65 4.371,66 1.513,67 2.009,68 1.445,69 1.513,70 5.5}
{0 CHEMBL1789941,1 3.103,2 1.338,3 3.049,4 1,5 8.217,6 3.233,7 3.265,8 3.475,9 2.392,10 6.043,11 3.408,12 3.661,13 0.136,14 0.006,15 11.964,16 3.392,17 3.326,18 189,19 3.14,20 306.41,21 3.749,22 3.28,23 419,24 5.368,25 12.813,26 15.648,27 87.719,28 14.267,29 4.393,30 197.66,31 265.4,32 8528,33 2.583,34 384.706,35 0.606,37 5.073,38 17.149,39 10.256,40 2.871,41 3.361,42 2.544,43 11.365,44 31.766,45 1.107,46 13930,47 62,48 8.061,49 4.675,50 817.862,51 9238.71,52 106.314,53 22.279,54 2.59,55 161.613,56 386.096,57 3.379,58 2.479,59 7.609,60 634,61 3.603,62 4.06,63 1.86,64 1.577,65 3.888,66 0.618,67 0.652,68 0.618,69 0.618,70 5}
{0 CHEMBL180022,2 2.538,3 3.876,5 15.75,6 4.088,7 4.403,8 4.487,9 3.383,10 13.884,11 4.344,12 3.799,13 0.639,14 0.011,15 42.208,16 4.435,17 4.271,18 630,19 4.498,20 557.1,21 10.068,22 4.376,23 1326,24 8.962,25 23.197,26 28.985,27 155.746,28 29.007,29 13.335,30 393.224,31 502.5,32 43287,33 3.244,34 711.879,35 0.444,37 6.311,38 59.85,39 13.085,40 3.349,41 3.856,42 3.05,43 19.66,44 73.126,45 2.227,46 75280,47 248,48 12.966,49 13.007,50 3188.76,51 56274.5,52 227.222,53 36.24,54 7.791,55 286.144,56 689.95,57 3.866,58 3.179,60 3800,61 3.747,62 5.1,63 1.919,64 1.818,65 4.412,66 1.439,67 1.962,68 1.314,69 1.439,70 6.481}
{0 CHEMBL1825138,2 1.916,3 3.52,5 11.767,6 3.698,7 3.976,8 4.013,9 2.94,10 9.103,11 3.926,12 3.763,13 0.396,14 0.012,15 30.777,16 3.992,17 3.828,18 353,19 4.129,20 450.38,21 6.487,22 3.904,23 762,24 7.009,25 17.92,26 21.38,27 118.112,28 21.378,29 9.101,30 269.668,31 368.88,32 20405,33 2.927,34 520.968,35 0.491,37 5.886,38 28.804,39 10.871,40 3.258,41 3.597,42 2.811,43 14.602,44 47.079,45 1.627,46 37175,47 128,48 10.501,49 9.058,50 1608.53,51 22407.8,52 154.477,53 28.367,54 4.597,55 215.049,56 516.478,57 3.612,58 2.845,59 6.605,60 1486,61 3.681,62 4.731,63 1.903,64 1.815,65 4.132,66 1,67 1.145,68 0.983,69 1,70 5.3}
{0 CHEMBL183844,2 2,3 3.502,5 11.75,6 3.707,7 3.48,8 3.708,9 2.942,10 7.49,11 3.708,12 3.792,13 0.286,14 0.011,15 19.684,16 3.792,17 3.594,18 329,19 3.571,20 371.47,21 4.887,22 3.692,23 720,24 7.041,25 15.797,26 19.673,27 109.742,28 18.268,29 7.566,30 246.856,31 345.86,32 16183,33 2.861,34 464.328,35 0.466,37 5.499,38 27.378,39 11.01,40 3.005,41 3.564,42 2.855,43 13.508,44 42.677,45 1.655,46 27319,47 106,48 9.169,49 7.894,50 1401.38,51 18829.6,52 141.958,53 27.006,54 3.809,55 197.995,56 474.867,57 3.59,58 2.818,59 6.823,60 1156,61 3.769,62 4.486,63 1.906,64 1.79,65 4.07,66 1.171,67 1.651,68 1.164,69 1.171,70 5}
{0 CHEMBL184847,2 2.031,3 3.585,5 12.536,6 3.776,7 3.38,8 3.613,9 3.04,10 7.49,11 3.521,12 3.772,13 0.29,14 0.013,15 16.203,16 3.627,17 3.444,18 351,19 3.469,20 371.47,21 4.887,22 3.543,23 768,24 7.377,25 15.797,26 19.673,27 109.742,28 18.268,29 5.772,30 234.856,31 345.86,32 16739,33 2.869,34 464.328,35 0.432,37 5.402,38 27.857,39 11.092,40 3,41 3.564,42 2.812,43 13.508,44 42.813,45 1.634,46 28055,47 114,48 9.169,49 6.742,50 1427.29,51 19576.9,52 143.126,53 27.2,54 3.809,55 197.995,56 474.867,57 3.59,58 2.876,59 6.823,60 1176,61 3.743,62 4.29,63 1.881,64 1.769,65 4.07,66 1,67 1.5,68 1,69 1,70 5.5}
{0 CHEMBL185569,2 1.953,3 3.515,5 11.852,6 3.719,7 3.323,8 3.578,9 2.94,10 7.256,11 3.457,12 3.769,13 0.24,14 0.011,15 14.209,16 3.565,17 3.375,18 320,19 3.386,20 357.44,21 4.654,22 3.48,23 703,24 7.123,25 14.874,26 18.803,27 104.701,28 17.317,29 5.514,30 224.574,31 328.56,32 15388,33 2.72,34 438.251,35 0.443,37 5.257,38 26.052,39 10.984,40 2.976,41 3.52,42 2.735,43 13.097,44 40.545,45 1.383,46 26382,47 99,48 8.752,49 6.209,50 1305.2,51 17363.5,52 136.085,53 26.358,54 3.712,55 188.402,56 451.462,57 3.54,58 2.811,59 6.823,60 1037,61 3.742,62 4.187,63 1.881,64 1.768,65 4.038,66 1,67 1.5,68 1,69 1,70 6.4}
{0 CHEMBL1870106,2 1.344,3 3.091,5 8.6,6 3.225,7 3.319,8 3.877,9 2.519,10 6.187,11 3.455,12 3.708,13 0.231,14 0.013,15 21.544,16 3.722,17 3.324,18 215,19 3.698,20 342.41,21 3.996,22 3.664,23 469,24 5.245,25 13.715,26 17.552,27 90.973,28 16.148,29 5.78,30 216.574,31 273.02,32 10724,33 2.624,34 398.846,35 0.683,37 5.592,38 18.854,39 10.395,40 2.948,41 3.364,42 2.507,43 12.097,44 35.629,45 1.241,46 18821,47 84,48 8.073,49 5.941,50 967.357,51 11165.2,52 117.32,53 23.559,54 2.608,55 166.937,56 399.086,57 3.334,58 2.72,59 7.854,60 859,61 3.51,62 4.488,63 1.81,64 1.598,65 3.959,66 0.708,67 0.919,68 0.671,69 0.708,70 5.5}
{0 CHEMBL1879463,2 1.988,3 3.596,5 12.778,6 3.769,7 4.154,8 4.163,9 3.051,10 8.073,11 4.259,12 3.88,13 0.698,14 0.013,15 26.695,16 4.274,17 4.188,18 460,19 4.144,20 469.58,21 4.95,22 4.201,23 1024,24 7.32,25 20.227,26 25.026,27 138.345,28 22.074,29 11.189,30 310.811,31 420.45,32 28481,33 2.905,34 572.755,35 0.428,37 6.007,38 39.957,39 14.95,40 3.345,41 3.809,42 2.871,43 17.369,44 48.896,45 2.028,46 48630,47 172,48 11.748,49 10.54,50 2374.53,51 36183,52 193.699,53 32.484,54 3.497,55 245.31,56 590.316,57 3.831,58 3.435,59 7.222,60 2486,61 3.879,62 4.9,63 2.031,64 1.933,65 4.332,66 1.52,67 2.179,68 1.509,69 1.52,70 5.4}
{0 CHEMBL189963,2 1.925,3 3.56,5 12.697,6 3.776,7 3.76,8 4.13,9 3.021,10 9.204,11 3.992,12 3.679,13 0.26,14 0.008,15 33.506,16 4.112,17 3.861,18 419,19 3.913,20 447.6,21 6.135,22 4.009,23 924,24 7.385,25 19.096,26 22.949,27 127.466,28 21.998,29 9.942,30 319.65,31 410.98,32 22815,33 2.921,34 562.702,35 0.437,37 5.853,38 35.416,39 11.053,40 3.17,41 3.715,42 2.937,43 16.025,44 47.929,45 1.938,46 37061,47 165,48 11.642,49 9.921,50 1993.8,51 29368.7,52 174.58,53 30.623,54 4.255,55 233.226,56 560.831,57 3.73,58 3.054,59 6.293,60 1872,61 3.696,62 4.939,63 1.86,64 1.659,65 4.238,66 1.117,67 1.5,68 1.071,69 1.117,70 5.9}
{0 CHEMBL1908391,2 2.722,3 3.996,5 16.667,6 4.174,7 3.998,8 4.12,9 3.51,10 11.297,11 4.113,12 3.835,13 0.349,14 0.009,15 28.205,16 4.197,17 4.011,18 600,19 3.976,20 498.71,21 7.711,22 4.063,23 1323,24 9.392,25 21.386,26 25.261,27 146.666,28 24.572,29 10.532,30 345.91,31 449.18,32 34149,33 2.911,34 626.853,35 0.326,37 5.832,38 51.028,39 12.546,40 3.336,41 3.817,42 2.941,43 17.984,44 54.839,45 1.869,46 56104,47 216,48 12.961,49 12.794,50 2629.52,51 45020.9,52 201.777,53 33.937,54 6.371,55 263.153,56 633.854,57 3.864,58 3.227,59 6.581,60 2730,61 3.821,62 4.807,63 1.951,64 1.847,65 4.323,66 1.265,67 1.75,68 1.276,69 1.265,70 5}
{0 CHEMBL1908392,1 3.059,2 2.179,3 3.681,4 1,5 14.139,6 3.925,7 3.926,8 4.281,9 3.155,10 10.668,11 4.318,12 3.795,13 0.41,14 0.011,15 40.207,16 4.463,17 4.158,18 509,19 4.18,20 481.65,21 7.19,22 4.337,23 1121,24 8.169,25 20.685,26 25.07,27 143.007,28 24.262,29 14.942,30 341.309,31 445.76,32 29678,33 2.998,34 626.71,35 0.396,37 6.018,38 40.701,39 11.742,40 3.352,41 3.814,42 2.941,43 17.491,44 54.555,45 1.915,46 47913,47 206,48 12.211,49 15.806,50 2473.04,51 39940,52 197.391,53 33.139,54 5.39,55 258.817,56 623.272,57 3.839,58 3.11,59 7.034,60 2470,61 3.796,62 5.154,63 1.997,64 1.864,65 4.321,66 1.354,67 1.982,68 1.329,69 1.354,70 6.824}
{0 CHEMBL1908393,2 3.28,3 4.232,5 20.217,6 4.441,7 4.382,8 4.52,9 3.754,10 14.37,11 4.361,12 3.835,13 0.6,14 0.01,15 45.289,16 4.472,17 4.315,18 930,19 4.468,20 634.74,21 10.07,22 4.422,23 2039,24 11.185,25 25.522,26 30.357,27 168.034,28 32.235,29 15.112,30 476.564,31 567.1,32 71800,33 3.193,34 767.721,35 0.279,37 6.46,38 81.323,39 12.846,40 3.487,41 4.019,42 2.971,43 21.536,44 71.162,45 2.406,46 129162,47 328,48 15.369,49 16.613,50 4596.73,51 94747.1,52 277.171,53 41.253,54 7.822,55 310.972,56 750.532,57 4.011,58 3.435,59 7.917,60 5294,61 3.789,62 5.262,63 1.976,64 1.852,65 4.557,66 1.642,67 2.144,68 1.587,69 1.642,70 6.721}
{0 CHEMBL1908394,2 2.316,3 3.737,5 14,6 3.944,7 4.487,8 4.368,9 3.249,10 10.776,11 4.302,12 3.916,13 0.688,14 0.012,15 41.697,16 4.346,17 4.253,18 532,19 4.428,20 543.67,21 7.607,22 4.281,23 1148,24 8.21,25 21.85,26 24.88,27 142.371,28 26.826,29 13.851,30 343.91,31 453.16,32 37959,33 3.21,34 622.201,35 0.415,37 6.332,38 45.186,39 12.823,40 3.347,41 3.824,42 3,43 17.293,44 59.042,45 2.151,46 68915,47 217,48 13.052,49 13.693,50 2772.43,51 45852.4,52 210.842,53 34.394,54 5.817,55 260.212,56 626.678,57 3.839,58 3.337,59 7.535,60 2898,61 3.834,62 5.093,63 1.95,64 1.756,65 4.366,66 1.424,67 2.006,68 1.331,69 1.424,70 5}
{0 CHEMBL1908395,1 2.768,2 2.176,3 3.695,5 13.5,6 3.878,7 4.051,8 4.153,9 3.257,10 10.994,11 4.347,12 3.749,13 0.441,14 0.01,15 44.144,16 4.409,17 4.207,18 459,19 4.101,20 460.64,21 7.824,22 4.27,23 976,24 7.819,25 19.933,26 24.079,27 132.718,28 24.198,29 15.101,30 347.42,31 444.3,32 25792,33 2.952,34 620.991,35 0.474,37 6.12,38 42.291,39 10.072,40 3.283,41 3.752,42 2.945,43 16.44,44 56.78,45 2.238,46 41855,47 174,48 11.97,49 15.464,50 2175.75,51 33647.9,52 182.986,53 31.59,54 5.961,55 250.082,56 601.96,57 3.783,58 3.113,59 6.581,60 2378,61 3.726,62 5.236,63 1.885,64 1.709,65 4.253,66 1.075,67 1.29,68 1.057,69 1.075,70 6.854}
{0 CHEMBL1908396,2 2.256,3 3.74,5 13.882,6 3.941,7 4.052,8 4.112,9 3.282,10 10.994,11 4.041,12 3.867,13 0.365,14 0.009,15 29.803,16 4.096,17 3.962,18 472,19 4.059,20 480.59,21 7.824,22 4.024,23 1012,24 8.16,25 19.934,26 24.432,27 127.926,28 24.198,29 10.812,30 299.724,31 408.14,32 29673,33 3.058,34 591.951,35 0.437,37 5.849,38 39.27,39 11.975,40 3.12,41 3.691,42 2.958,43 16.97,44 57.09,45 1.932,46 54100,47 156,48 11.235,49 10.886,50 2211.08,51 34684.5,52 184.239,53 31.799,54 5.6,55 237.501,56 571.262,57 3.695,58 3.085,59 6.293,60 2118,61 3.804,62 4.825,63 1.822,64 1.636,65 4.254,66 1.347,67 1.751,68 1.214,69 1.347,70 5}
{0 CHEMBL1908397,1 3.053,2 1.904,3 3.504,5 11.68,6 3.671,7 3.138,8 3.443,9 2.919,10 7.116,11 3.439,12 3.659,13 0.108,14 0.006,15 14.848,16 3.628,17 3.309,18 292,19 3.334,20 332.44,21 4.53,22 3.496,23 649,24 6.868,25 13.905,26 17.062,27 100.285,28 15.915,29 5.646,30 213.133,31 301.45,32 12265,33 2.733,34 413.221,35 0.439,37 5.085,38 23.357,39 11.177,40 2.952,41 3.457,42 2.735,43 12.31,44 36.262,45 1.203,46 20263,47 88,48 8.524,49 6.932,50 1101.36,51 13891,52 123.075,53 24.812,54 3.444,55 177.871,56 425.764,57 3.483,58 2.528,59 6.823,60 873,61 3.58,62 4.195,63 1.941,64 1.731,65 3.97,66 0.878,67 1,68 0.863,69 0.878,70 7.481}
{0 CHEMBL191003,2 1.786,3 3.394,5 11.074,6 3.624,7 3.564,8 3.821,9 2.908,10 7.042,11 3.28,12 3.811,13 0.314,14 0.014,15 13.325,16 3.348,17 3.266,18 299,19 3.609,20 394.4,21 4.934,22 3.355,23 626,24 6.705,25 14.243,26 18.277,27 95.039,28 18.92,29 4.612,30 184.131,31 297.54,32 18059,33 2.687,34 405.579,35 0.578,37 5.69,38 24.735,39 10.433,40 2.913,41 3.377,42 2.658,43 12.737,44 47.186,45 1.356,46 38044,47 95,48 8.824,49 3.884,50 1272.16,51 16517.3,52 134.659,53 26.005,54 3.955,55 172.411,56 412.442,57 3.35,58 2.787,59 6.804,60 1064,61 3.608,62 4.157,63 1.514,64 1.486,65 4.01,66 0.737,67 1.066,68 0.715,69 0.737,70 5.2}
{0 CHEMBL1949855,2 0.667,3 2.281,5 4.333,6 2.213,8 0.549,9 1.459,10 2.699,12 3.202,16 0.255,18 52,19 0.014,20 180.6,21 1.679,22 0.13,23 108,24 2.923,25 6.799,26 9.052,27 45.09,28 7.466,30 69.487,31 144.14,32 1697,33 0.901,34 197.369,35 1.462,38 4,39 7.229,40 2.143,41 2.646,42 1.073,43 6.076,44 16.939,45 -0.666,46 3136,47 14,48 3.786,49 0.281,50 146.078,51 1037.22,52 40.393,53 11.626,54 1.168,55 84.003,56 196.728,57 2.636,58 0.927,60 88,61 2.9,63 1.078,64 0.957,65 3.233,66 -1.704,67 -2.255,68 -1.656,69 -1.704,70 4.9}
{0 CHEMBL1958401,2 1.3,3 3.106,5 8.5,6 3.201,7 2.818,8 3.377,9 2.522,10 6.081,11 3.274,12 3.595,13 0.029,14 0.002,15 13.601,16 3.384,17 3.107,18 170,19 3.167,20 270.37,21 4.003,22 3.28,23 368,24 5.092,25 11.302,26 13.786,27 77.538,28 13.166,29 5.238,30 163.911,31 257.03,32 5878,33 2.687,34 354.817,35 0.687,37 4.97,38 14.13,39 8.26,40 2.863,41 3.234,42 2.61,43 9.81,44 29.892,45 1,46 9100,47 56,48 7.094,49 5.193,50 608.21,51 6218.64,52 88.403,53 19.924,54 3.397,55 146.084,56 348.206,57 3.259,58 2.381,60 474,61 3.463,62 4.087,63 1.684,64 1.573,65 3.743,66 -0.387,67 -0.542,68 -0.381,69 -0.387,70 6.3}
{0 CHEMBL196363,2 1.953,3 3.514,5 11.852,6 3.718,7 3.382,8 3.617,9 2.94,10 7.43,11 3.51,12 3.802,13 0.193,14 0.009,15 15.179,16 3.547,17 3.387,18 320,19 3.435,20 375.49,21 4.84,22 3.463,23 703,24 7.122,25 15.378,26 19.156,27 109.616,28 17.588,29 6.289,30 218.705,31 314.78,32 15989,33 2.751,34 437.403,35 0.444,37 5.202,38 26.123,39 11.695,40 3,41 3.501,42 2.735,43 13.551,44 40.549,45 1.24,46 28348,47 99,48 9.207,49 5.301,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.82,55 189.941,56 455.216,57 3.534,58 2.863,59 6.862,60 1035,61 3.759,62 4.186,63 1.789,64 1.748,65 4.038,66 1,67 1.5,68 0.979,69 1,70 6.1}
{0 CHEMBL1964288,1 3.094,2 2.41,3 3.791,5 14.303,6 3.954,7 3.8,8 3.959,9 3.238,10 8.456,11 3.851,12 3.876,13 0.231,14 0.006,15 17.041,16 3.874,17 3.795,18 472,19 3.87,20 432.53,21 5.021,22 3.83,23 1071,24 8.132,25 17.705,26 22.037,27 131.35,28 19.596,29 6.439,30 244.07,31 352.54,32 26471,33 2.875,34 494.979,35 0.344,37 5.527,38 42.986,39 14.69,40 3.23,41 3.692,42 2.841,43 16.315,44 43.404,45 1.556,46 45921,47 164,48 10.687,49 6.355,50 2087.51,51 32009.6,52 177.416,53 31.188,54 4.067,55 219.589,56 527.558,57 3.699,58 3.126,59 7.774,60 2092,61 3.854,62 4.489,63 2.021,64 1.911,65 4.256,66 1.272,67 1.826,68 1.232,69 1.272,70 7}
{0 CHEMBL1964290,1 3.244,2 1.187,3 3.023,4 1,5 7.957,6 3.157,7 3.244,8 3.691,9 2.442,10 5.859,11 3.386,12 3.654,13 0.193,14 0.011,15 18.055,16 3.606,17 3.284,18 183,19 3.483,20 307.39,21 3.886,22 3.524,23 386,24 5.085,25 12.921,26 16.56,27 90.446,28 15.254,29 5.324,30 193.367,31 272.91,32 8360,33 2.577,34 384.244,35 0.784,37 5.621,38 16.817,39 9.959,40 2.936,41 3.33,42 2.559,43 10.969,44 36.528,45 1.046,46 13942,47 65,48 7.154,49 6.434,50 798.847,51 8874.43,52 105.287,53 22.015,54 2.832,55 163.281,56 390.166,57 3.34,58 2.493,59 6.862,60 695,61 3.535,62 4.338,63 1.655,64 1.547,65 3.863,66 0.108,67 0.127,68 0.107,69 0.108,70 5.9}
{0 CHEMBL1964382,2 1.224,3 2.95,5 7.762,6 3.057,7 5.826,8 4.655,9 2.416,10 6.721,11 3.691,12 6.882,13 0.23,14 0.018,15 247.445,16 3.665,17 3.066,18 163,19 4.468,20 637.87,21 5.8,22 3.305,23 330,24 4.718,25 18.703,26 20.947,27 108.269,28 18.123,29 13.94,30 124.955,31 312.4,32 8032,33 2.706,34 479.906,35 1.015,37 4.85,38 13.197,39 8.469,40 3.578,41 3.302,42 2.618,43 12.528,44 39.056,45 1.107,46 16640,47 53,48 9.756,49 10.881,50 641.953,51 6576.92,52 92.538,53 20.168,54 3.655,55 189.294,56 453.638,57 3.453,58 2.661,60 534,61 3.585,62 3.579,63 1.642,64 1.462,65 3.744,66 -0.347,67 -0.445,68 -0.121,69 -0.347,70 5.3}
{0 CHEMBL1964413,1 2.794,2 1.696,3 3.421,5 11.172,6 3.643,7 3.556,8 4.199,9 2.867,10 6.805,11 3.258,12 3.781,13 0.288,14 0.011,15 5.657,16 3.307,17 3.303,18 324,19 3.702,20 411.34,21 4.534,22 3.377,23 700,24 6.807,25 14.383,26 15.811,27 95.845,28 19.322,29 3.977,30 193.367,31 294.58,32 22152,33 2.714,34 388.571,35 0.501,37 5.533,38 27.201,39 11.923,40 3.163,41 3.441,42 2.557,43 11.187,44 44.81,45 1.448,46 48328,47 104,48 8.221,49 4.716,50 1479.15,51 20026.2,52 147.418,53 27.511,54 3.931,55 168.673,56 403.322,57 3.376,58 3.062,59 7.273,60 1284,61 3.573,62 3.937,63 1.617,64 1.477,65 4.095,66 1.029,67 1.522,68 0.989,69 1.029,70 5}
{0 CHEMBL1964441,2 2.369,3 3.774,5 14.406,6 3.966,7 3.743,8 3.975,9 3.296,10 9.926,11 3.952,12 3.805,13 0.327,14 0.01,15 26.318,16 3.996,17 3.813,18 461,19 3.856,20 441.6,21 6.818,22 3.889,23 988,24 8.203,25 18.638,26 22.855,27 132.621,28 21.978,29 9.969,30 289.71,31 396,32 24325,33 2.966,34 546.091,35 0.422,37 5.635,38 40.41,39 12.733,40 3.377,41 3.68,42 2.98,43 16,44 52.187,45 1.872,46 41095,47 168,48 10.971,49 8.613,50 1967.36,51 29889.4,52 171.182,53 30.481,54 5.168,55 232.048,56 557.957,57 3.724,58 3.056,59 6.88,60 1874,61 3.787,62 4.638,63 1.891,64 1.84,65 4.198,66 1.092,67 1.589,68 1.035,69 1.092,70 5.7}
{0 CHEMBL1964444,2 1.488,3 3.289,5 9.76,6 3.471,7 3.302,8 3.546,9 2.661,10 6.598,11 3.278,12 3.51,13 0.23,14 0.011,15 11.582,16 3.312,17 3.262,18 244,19 3.576,20 346.34,21 4.495,22 3.315,23 517,24 6.173,25 13.055,26 15.527,27 85.212,28 17.032,29 4.314,30 187.911,31 280.12,32 13675,33 2.633,34 381.086,35 0.597,37 5.357,38 19.139,39 10.432,40 2.934,41 3.333,42 2.527,43 10.614,44 41.858,45 1.189,46 26816,47 70,48 7.304,49 4.594,50 1041.29,51 12817.5,52 121.005,53 24.256,54 3.998,55 160.081,56 382.359,57 3.299,58 2.829,60 862,61 3.438,62 4.05,63 1.725,64 1.541,65 3.944,66 0.131,67 0.162,68 0.124,69 0.131,70 5.6}
{0 CHEMBL1964644,2 1.557,3 3.241,5 9.421,6 3.394,7 2.952,8 3.119,9 2.721,10 6.36,11 2.842,12 3.529,13 0.067,14 0.006,15 9.142,16 2.872,17 2.747,18 179,19 3.194,20 278.32,21 4.547,22 2.84,23 371,24 5.721,25 10.515,26 14.018,27 70.53,28 13.584,29 2.986,30 126.127,31 222.74,32 7240,33 2.358,34 327.242,35 0.668,37 4.708,38 14.576,39 8.034,40 2.687,41 3.044,42 2.196,43 9.556,44 33.955,45 1,46 13912,47 54,48 6.156,49 2.845,50 580.443,51 6000.06,52 84.789,53 19.568,54 4.084,55 131.304,56 312.143,57 3.055,58 2.052,59 6.581,60 443,61 3.227,62 3.492,63 1.529,64 1.453,65 3.664,66 -0.626,67 -0.843,68 -0.631,69 -0.626,70 5}
{0 CHEMBL1964687,2 1.951,3 3.511,5 11.867,6 3.724,7 3.555,8 3.871,9 2.966,10 7.458,11 3.712,12 3.833,13 0.271,14 0.01,15 20.615,16 3.777,17 3.59,18 356,19 3.623,20 415.56,21 4.764,22 3.687,23 795,24 7.162,25 17.56,26 21.181,27 122.763,28 19.164,29 7.995,30 253.029,31 354.32,32 19299,33 2.948,34 479.51,35 0.424,37 5.391,38 30.009,39 12.769,40 3.119,41 3.643,42 2.872,43 14.883,44 41.852,45 1.971,46 33110,47 110,48 10.608,49 7.397,50 1619.88,51 22553.6,52 154.735,53 28.408,54 3.609,55 211.325,56 507.392,57 3.684,58 3.002,59 7.081,60 1324,61 3.77,62 4.435,63 1.787,64 1.759,65 4.151,66 1.344,67 1.96,68 1.261,69 1.344,70 5.4}
{0 CHEMBL1964692,2 2.069,3 3.605,5 12.839,6 3.846,7 3.535,8 3.779,9 3.039,10 8.026,11 3.56,12 3.806,13 0.339,14 0.013,15 17.698,16 3.654,17 3.496,18 398,19 3.743,20 426.44,21 5.399,22 3.604,23 859,24 7.848,25 16.235,26 19.673,27 111.37,28 20.853,29 6.831,30 241.814,31 342.78,32 25851,33 2.788,34 463.645,35 0.425,37 5.545,38 31.74,39 12.115,40 3.223,41 3.556,42 2.764,43 13.508,44 49.84,45 1.789,46 51232,47 114,48 9.141,49 6.462,50 1788.62,51 26588.8,52 163.735,53 29.515,54 4.382,55 198.791,56 476.811,57 3.525,58 2.983,59 7.018,60 1552,61 3.759,62 4.383,63 1.861,64 1.762,65 4.162,66 1.112,67 1.6,68 1.078,69 1.112,70 6.1}
{0 CHEMBL1964777,2 1.22,3 3.016,5 7.9,6 3.142,7 3.067,8 3.509,9 2.466,10 5.175,11 2.773,12 3.506,13 0.138,14 0.012,15 9.286,16 3.183,17 2.721,18 158,19 3.243,20 288.32,21 3.365,22 3.084,23 337,24 4.933,25 10.985,26 13.596,27 74.101,28 13.005,29 3.645,30 138.881,31 224.02,32 7131,33 2.282,34 308.929,35 0.735,37 4.974,38 13.33,39 9.973,40 2.813,41 3.165,42 2.074,43 9.645,44 29.894,45 0.81,46 13955,47 52,48 6.557,49 4.744,50 596.928,51 6029.79,52 87.777,53 19.686,54 2.659,55 133.374,56 317.193,57 3.178,58 2.445,59 6.862,60 482,61 3.307,62 3.546,63 1.538,64 1.535,65 3.736,66 -0.408,67 -0.514,68 -0.351,69 -0.408,70 5.9}
{0 CHEMBL1964804,2 1.885,3 3.407,5 10.875,6 3.611,7 3.438,8 3.522,9 2.928,10 7.058,11 3.405,12 3.79,13 0.201,14 0.01,15 16.334,16 3.516,17 3.313,18 261,19 3.552,20 343.44,21 4.861,22 3.43,23 554,24 6.56,25 13.954,26 17.243,27 91.16,28 16.53,29 5.695,30 208.905,31 289.64,32 12158,33 2.623,34 413.654,35 0.544,37 5.487,38 23.403,39 10.667,40 2.929,41 3.382,42 2.513,43 12.438,44 39.5,45 1.11,46 22318,47 86,48 9.27,49 6.04,50 996.73,51 12121.5,52 116.101,53 23.847,54 4.593,55 171.743,56 410.814,57 3.419,58 2.561,60 862,61 3.721,62 4.255,63 1.758,64 1.738,65 3.911,66 0.428,67 0.468,68 0.375,69 0.428,70 5.9}
{0 CHEMBL1964902,2 1.812,3 3.546,5 12.286,6 3.749,7 4.19,8 4.231,9 3.05,10 9.828,11 4.229,12 3.747,13 0.585,14 0.011,15 35.087,16 4.228,17 4.18,18 430,19 4.195,20 471.55,21 6.833,22 4.182,23 915,24 7.374,25 19.61,26 25.165,27 129.809,28 24.336,29 12.451,30 302.374,31 425.25,32 28359,33 2.916,34 613.251,35 0.516,37 6.333,38 37.523,39 12.375,40 3.369,41 3.74,42 2.857,43 16.63,44 59.177,45 1.844,46 50029,47 169,48 11.023,49 11.821,50 2230.4,51 34561.7,52 188.014,53 31.94,54 5.483,55 242.498,56 583.455,57 3.747,58 3.172,59 6.862,60 2442,61 3.719,62 5.059,63 1.989,64 1.784,65 4.277,66 1.271,67 1.799,68 1.261,69 1.271,70 5.3}
{0 CHEMBL1964937,1 3.199,2 1.877,3 3.5,4 1,5 11.667,6 3.667,7 3.392,8 3.693,9 2.911,10 7.948,11 3.637,12 3.718,13 0.226,14 0.01,15 21.981,16 3.785,17 3.508,18 315,19 3.555,20 362.47,21 5.232,22 3.67,23 693,24 6.863,25 14.929,26 18.64,27 104.771,28 17.774,29 7.747,30 256.366,31 327.54,32 14714,33 2.744,34 464.957,35 0.467,37 5.524,38 25.654,39 10.658,40 3.099,41 3.522,42 2.735,43 13.258,44 40.425,45 1.388,46 24942,47 97,48 9.088,49 8.67,50 1287.2,51 16867.7,52 135.262,53 26.222,54 3.749,55 191.459,56 458.92,57 3.539,58 2.59,59 6.843,60 1071,61 3.652,62 4.532,63 1.912,64 1.779,65 4.04,66 1,67 1.293,68 0.983,69 1,70 6.8}
{0 CHEMBL1964948,2 2.264,3 3.755,5 14.462,6 3.978,7 4.277,8 4.324,9 3.246,10 12.124,11 4.498,12 3.787,13 0.709,14 0.012,15 52.059,16 4.485,17 4.397,18 564,19 4.352,20 526.75,21 8.86,22 4.4,23 1192,24 8.448,25 23.655,26 28.156,27 156.109,28 28.5,29 15.789,30 402.239,31 503.72,32 34644,33 3.237,34 734.795,35 0.466,37 6.393,38 49.918,39 12.698,40 3.406,41 3.886,42 3.091,43 18.524,44 70.164,45 2.132,46 53050,47 232,48 13.197,49 15.081,50 2947.57,51 50493.8,52 218.698,53 35.244,54 7.125,55 292.189,56 704.701,57 3.924,58 3.201,59 6.862,60 3464,61 3.74,62 5.386,63 1.992,64 1.784,65 4.38,66 1.335,67 1.9,68 1.303,69 1.335,70 5.3}
{0 CHEMBL1965033,2 2.059,3 3.595,5 12.655,6 3.808,7 3.521,8 3.813,9 3.047,10 8.059,11 3.331,12 3.692,13 0.369,14 0.015,15 11.303,16 3.415,17 3.364,18 367,19 3.722,20 406.37,21 5.714,22 3.435,23 769,24 7.54,25 14.894,26 17.811,27 97.759,28 20.562,29 4.691,30 213.82,31 337.84,32 23018,33 2.692,34 438.508,35 0.505,37 5.644,38 29.719,39 10.154,40 3.016,41 3.454,42 2.735,43 12.008,44 52.842,45 1.756,46 48099,47 123,48 8.248,49 5.438,50 1546.09,51 21866.5,52 150.058,53 27.974,54 5.009,55 181.533,56 434.701,57 3.409,58 3.016,60 1330,61 3.609,62 4.158,63 1.837,64 1.695,65 4.082,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL1965131,2 1.208,3 3.085,5 8.833,6 3.237,7 3.56,8 4.072,9 2.48,10 6.707,11 3.504,12 3.873,13 0.227,14 0.011,15 17.647,16 3.652,17 3.362,18 212,19 3.923,20 379.28,21 4.809,22 3.562,23 448,24 5.303,25 14.85,26 18.784,27 97.706,28 17.208,29 5.856,30 171.362,31 297.63,32 10836,33 2.822,34 412.611,35 0.755,37 5.341,38 17.271,39 10.186,40 3.267,41 3.375,42 2.676,43 12.366,44 39.008,45 1.344,46 20720,47 90,48 8.538,49 6.396,50 893.309,51 10210.3,52 111.842,53 22.899,54 3.3,55 174.691,56 418.007,57 3.424,58 2.835,59 7.066,60 834,61 3.454,62 4.079,63 1.6,64 1.567,65 3.901,66 0.19,67 0.229,68 0.11,69 0.19,70 5.9}
{0 CHEMBL1965169,1 3.264,2 1.197,3 2.958,4 1,5 7.647,6 3.011,7 3.036,8 3.105,9 2.469,10 4.06,11 2.692,12 3.775,13 0.071,14 0.012,15 16.899,16 2.866,17 2.441,18 130,19 3.188,20 288.16,21 2.54,22 2.734,23 283,24 4.448,25 10.822,26 12.828,27 70.931,28 10.635,29 3.619,30 115.627,31 197.48,32 4211,33 2.251,34 283.118,35 0.779,37 4.174,38 10.311,39 9.594,40 2.687,41 3.064,42 2.015,43 8.798,44 23.799,45 0.081,46 7203,47 45,48 6.098,49 2.249,50 409.512,51 3596.78,52 69.766,53 16.999,54 2.017,55 125.096,56 296.993,57 3.098,58 2.212,59 6.843,60 285,61 3.303,62 3.342,63 1.631,64 1.45,65 3.586,66 -0.863,67 -1.203,68 -0.782,69 -0.863,70 5.3}
{0 CHEMBL1965170,2 2.73,3 4.008,5 17.184,6 4.189,7 4.145,8 4.168,9 3.55,10 11.492,11 4.162,12 3.879,13 0.395,14 0.009,15 30.528,16 4.159,17 4.067,18 653,19 4.116,20 530.66,21 7.901,22 4.074,23 1416,24 9.446,25 21.274,26 27.001,27 148.207,28 26.127,29 11.692,30 347.245,31 444.71,32 42162,33 3.065,34 649.367,35 0.348,37 5.992,38 57.792,39 13.934,40 3.394,41 3.819,42 2.94,43 18.898,44 59.493,45 2.213,46 77122,47 252,48 12.627,49 10.373,50 2945.19,51 51279.8,52 215.093,53 35.162,54 5.839,55 262.622,56 632.558,57 3.831,58 3.302,59 7.434,60 3142,61 3.804,62 4.877,63 1.899,64 1.844,65 4.371,66 1.36,67 1.861,68 1.309,69 1.36,70 6.1}
{0 CHEMBL1965387,1 2.874,2 2.917,3 3.907,4 1,5 15.972,6 4.151,7 4.016,8 4.118,9 3.372,10 11.078,11 4.071,12 3.88,13 0.322,14 0.008,15 25.13,16 4.066,17 3.985,18 575,19 3.95,20 501.03,21 7.462,22 3.98,23 1259,24 9.277,25 20.126,26 25.407,27 141.225,28 24.249,29 9.737,30 328.265,31 423.83,32 36678,33 3.203,34 587.851,35 0.34,37 5.793,38 55.963,39 12.728,40 3.414,41 3.776,42 2.884,43 17.852,44 54.784,45 1.853,46 65915,47 197,48 11.886,49 9.847,50 2614.93,51 44417.1,52 201.144,53 33.886,54 5.867,55 251.832,56 606.229,57 3.785,58 3.254,59 7.286,60 2812,61 3.802,62 4.765,63 1.924,64 1.78,65 4.322,66 1.338,67 1.787,68 1.264,69 1.338,70 5.3}
{0 CHEMBL1965423,2 1.379,3 3.287,5 10,6 3.422,7 3.972,8 4.137,9 2.715,10 7.047,11 3.921,12 3.847,13 0.429,14 0.012,15 25.086,16 4.116,17 3.823,18 290,19 4.043,20 405.54,21 4.488,22 3.988,23 641,24 5.953,25 16.95,26 19.604,27 115.15,28 18.469,29 9.065,30 242.856,31 326.04,32 15853,33 2.764,34 457.751,35 0.55,37 5.731,38 24.644,39 13.181,40 3.168,41 3.597,42 2.735,43 14.068,44 39.327,45 1.475,46 27443,47 114,48 10.366,49 12.031,50 1389.41,51 17994,52 144.105,53 26.851,54 3.167,55 201.862,56 484.302,57 3.633,58 3.124,59 8.003,60 1331,61 3.786,62 4.653,63 1.936,64 1.725,65 4.116,66 1,67 1.5,68 1,69 1,70 7.5}
{0 CHEMBL1965507,2 2.24,3 3.679,5 13.4,6 3.902,7 3.61,8 3.787,9 3.083,10 8.674,11 3.712,12 3.828,13 0.264,14 0.009,15 18.368,16 3.787,17 3.616,18 402,19 3.737,20 418.52,21 5.813,22 3.691,23 876,24 8.03,25 16.787,26 21.441,27 117.735,28 20.106,29 6.907,30 237.714,31 349.23,32 22707,33 2.859,34 484.835,35 0.401,37 5.505,38 32.8,39 11.718,40 3.285,41 3.571,42 2.749,43 14.945,44 47.482,45 1.757,46 41502,47 126,48 9.911,49 7.179,50 1697.25,51 25039.3,52 157.95,53 29.033,54 4.709,55 207.396,56 497.807,57 3.59,58 2.984,59 6.862,60 1472,61 3.818,62 4.403,63 1.839,64 1.805,65 4.135,66 1.016,67 1.502,68 1,69 1.016,70 7.6}
{0 CHEMBL1965570,2 2.125,3 3.664,5 13.313,6 3.876,7 3.726,8 3.922,9 3.102,10 8.633,11 3.803,12 3.831,13 0.189,14 0.006,15 19.659,16 3.85,17 3.715,18 426,19 3.798,20 444.52,21 5.536,22 3.781,23 948,24 7.856,25 17.449,26 21.562,27 123.635,28 20.522,29 8.512,30 258.366,31 359.3,32 26307,33 2.839,34 482.38,35 0.388,37 5.673,38 36.559,39 13.241,40 3.367,41 3.656,42 2.735,43 15.641,44 46.009,45 1.694,46 50130,47 144,48 10.591,49 7.37,50 1922.4,51 28705.4,52 169.981,53 30.272,54 4.092,55 213.462,56 512.608,57 3.67,58 2.985,59 7.322,60 1758,61 3.801,62 4.521,63 1.891,64 1.843,65 4.21,66 1.108,67 1.613,68 1.064,69 1.108,70 6.6}
{0 CHEMBL1965589,2 1.413,3 3.248,5 10.067,6 3.459,7 3.862,8 4.197,9 2.689,10 6.997,11 3.872,12 3.831,13 0.425,14 0.013,15 27.489,16 4.056,17 3.8,18 302,19 4.113,20 408.45,21 4.407,22 4.028,23 669,24 6.142,25 16.102,26 19.14,27 106.995,28 18.895,29 9.27,30 251.323,31 326.99,32 18620,33 2.866,34 464.497,35 0.539,37 6.039,38 27.88,39 12.334,40 3.016,41 3.569,42 2.733,43 13.629,44 41.249,45 1.491,46 34598,47 118,48 9.523,49 9.103,50 1504.72,51 20159.9,52 151.045,53 27.771,54 3.628,55 193.127,56 462.99,57 3.547,58 3.076,59 8.102,60 1596,61 3.761,62 4.808,63 1.83,64 1.727,65 4.14,66 1.1,67 1.626,68 1.046,69 1.1,70 5.7}
{0 CHEMBL1965631,1 2.893,2 2.031,3 3.574,5 12.214,6 3.744,7 3.515,8 3.788,9 3.084,10 7.927,11 3.722,12 3.733,13 0.159,14 0.006,15 19.349,16 3.74,17 3.619,18 342,19 3.711,20 375.48,21 5.196,22 3.686,23 739,24 7.11,25 15.755,26 19.51,27 109.563,28 18.355,29 6.685,30 242.856,31 320.91,32 16368,33 2.752,34 464.976,35 0.469,37 5.498,38 31.362,39 11.82,40 3.102,41 3.509,42 2.735,43 13.581,44 42.552,45 1.355,46 27491,47 118,48 8.955,49 5.983,50 1415.29,51 19082.7,52 142.211,53 27.064,54 4.299,55 195.326,56 468.355,57 3.514,58 2.921,59 7.402,60 1298,61 3.574,62 4.488,63 1.856,64 1.629,65 4.071,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL1965660,1 3.109,2 1.323,3 3.072,4 1,5 8.435,6 3.204,7 3.593,8 3.894,9 2.546,10 6.199,11 3.228,12 3.693,13 0.217,14 0.011,15 13.921,16 3.469,17 3.157,18 194,19 3.713,20 348.21,21 4.259,22 3.404,23 410,24 5.176,25 13.189,26 17.56,27 89.973,28 15.804,29 4.346,30 168.974,31 268.73,32 10013,33 2.56,34 374.895,35 0.766,37 5.556,38 17.365,39 9.95,40 3.054,41 3.279,42 2.343,43 11.53,44 36.565,45 1.021,46 19922,47 71,48 7.282,49 5.358,50 810.666,51 8991.94,52 105.583,53 22.092,54 3.171,55 160.762,56 384.02,57 3.274,58 2.591,59 6.862,60 704,61 3.53,62 4,63 1.614,64 1.527,65 3.863,66 -0.057,67 -0.072,68 -0.04,69 -0.057,70 5.8}
{0 CHEMBL1965702,1 3.185,2 1.55,3 3.343,4 1,5 10.154,6 3.485,7 3.652,8 3.957,9 2.763,10 7.414,11 3.726,12 3.764,13 0.268,14 0.011,15 24.399,16 3.828,17 3.607,18 264,19 3.823,20 370.93,21 5.008,22 3.699,23 578,24 6.117,25 15.793,26 18.596,27 106.741,28 17.564,29 6.437,30 245.611,31 317.85,32 11975,33 2.762,34 463.275,35 0.54,36 1,37 5.383,38 21.308,39 10.773,40 3.191,41 3.493,42 2.666,43 12.886,44 38.007,45 1.407,46 19025,47 86,48 9.378,49 8.068,50 1132.54,51 14010.4,52 126.68,53 24.956,54 3.818,55 192.058,56 460.382,57 3.521,58 2.726,59 6.843,60 962,61 3.61,62 4.44,63 1.797,64 1.723,65 4.002,66 1,67 1,68 0.968,69 1,70 6.6}
{0 CHEMBL1965836,1 2.966,2 2.148,3 3.725,5 13.625,6 3.953,7 3.82,8 3.972,9 3.093,10 9.192,11 3.753,12 3.799,13 0.251,14 0.008,15 22.666,16 3.841,17 3.711,18 436,19 3.814,20 442.48,21 6.356,22 3.793,23 943,24 8.314,25 17.187,26 20.217,27 114.669,28 22.128,29 7.905,30 288.07,31 366.81,32 28546,33 2.838,34 508.96,35 0.397,37 5.953,38 35.055,39 12.098,40 3.296,41 3.624,42 2.793,43 14.119,44 52.232,45 1.598,46 55227,47 132,48 9.899,49 9.038,50 1960.66,51 30438.7,52 171.96,53 30.548,54 5.799,55 211.311,56 507.359,57 3.607,58 3.163,59 6.804,60 1806,61 3.716,62 4.626,63 1.846,64 1.734,65 4.195,66 1.19,67 1.723,68 1.174,69 1.19,70 8.2}
{0 CHEMBL1965845,1 3.218,2 2.008,3 3.589,4 1,5 12.393,6 3.756,7 3.505,8 3.697,9 3.053,10 8.171,11 3.7,12 3.722,13 0.255,14 0.01,15 24.291,16 3.864,17 3.575,18 347,19 3.604,20 376.5,21 5.465,22 3.722,23 760,24 7.232,25 16.106,26 19.51,27 109.69,28 18.727,29 8.464,30 280.913,31 344.84,32 16295,33 2.812,34 484.062,35 0.445,37 5.56,38 27.663,39 10.883,40 3.097,41 3.56,42 2.873,43 13.652,44 42.73,45 1.543,46 27125,47 114,48 9.464,49 9.581,50 1419.69,51 19280.6,52 142.657,53 27.141,54 3.988,55 201.051,56 482.326,57 3.579,58 2.639,59 6.843,60 1212,61 3.652,62 4.624,63 1.912,64 1.779,65 4.072,66 1,67 1.156,68 0.983,69 1,70 7.3}
{0 CHEMBL1965988,2 2.219,3 3.71,5 13.742,6 3.905,7 3.644,8 3.935,9 3.272,10 9.277,11 3.829,12 3.805,13 0.25,14 0.009,15 20.375,16 3.909,17 3.702,18 426,19 3.744,20 427.57,21 6.289,22 3.805,23 917,24 7.917,25 17.716,26 22.148,27 127.847,28 21.016,29 8.388,30 270.913,31 378.7,32 22546,33 2.947,34 517.267,35 0.431,37 5.569,38 36.73,39 12.572,40 3.358,41 3.646,42 2.887,43 15.5,44 49.752,45 1.863,46 38900,47 146,48 10.526,49 8.122,50 1815.71,51 26788.1,52 163.793,53 29.614,54 4.754,55 222.456,56 534.551,57 3.686,58 3.056,59 6.88,60 1660,61 3.787,62 4.515,63 1.885,64 1.839,65 4.168,66 1.081,67 1.586,68 1.021,69 1.081,70 6.1}
{0 CHEMBL1966035,2 1.43,3 3.222,5 9.227,6 3.33,7 3.14,8 3.56,9 2.698,10 6.021,11 3.337,12 3.707,13 0.164,14 0.01,15 14.578,16 3.441,17 3.24,18 203,19 3.43,20 293.35,21 3.923,22 3.405,23 434,24 5.552,25 12.01,26 15.527,27 84.781,28 14.332,29 5.369,30 165.24,31 270.6,32 8374,33 2.542,34 393.457,35 0.651,37 5.346,38 16.81,39 10.123,40 2.687,41 3.288,42 2.591,43 10.665,44 34.383,45 1,46 14307,47 68,48 6.913,49 5.563,50 769.18,51 8559.71,52 101.341,53 21.755,54 2.893,55 153.689,56 366.761,57 3.294,58 2.402,60 684,61 3.64,62 4.172,63 1.791,64 1.706,65 3.823,66 0.204,67 0.259,68 0.18,69 0.204,70 5}
{0 CHEMBL1966040,1 3.086,2 1.745,3 3.454,4 1,5 11.111,6 3.639,7 3.521,8 3.662,9 2.908,10 6.919,11 3.405,12 3.738,13 0.206,14 0.008,15 12.638,16 3.489,17 3.383,18 300,19 3.518,20 369.38,21 4.447,22 3.459,23 655,24 6.779,25 13.956,26 16.355,27 97.494,28 17.354,29 4.737,30 210.905,31 291.03,32 17223,33 2.664,34 393.128,35 0.471,37 5.563,38 23.462,39 11.905,40 3.058,41 3.437,42 2.606,43 11.793,44 40.394,45 1.24,46 34091,47 89,48 8.151,49 5.133,50 1277.16,51 16749.1,52 135.111,53 26.109,54 3.727,55 171.743,56 410.814,57 3.409,58 2.551,59 6.843,60 1093,61 3.608,62 4.189,63 1.828,64 1.737,65 4.037,66 1,67 1.5,68 0.954,69 1,70 7.5}
{0 CHEMBL1966087,2 1.6,3 3.252,5 9.4,6 3.393,7 2.835,8 3.249,9 2.733,10 6.42,11 3.1,12 3.646,13 0.084,14 0.007,15 12.784,16 3.346,17 2.972,18 188,19 3.118,20 267.36,21 4.167,22 3.229,23 409,24 5.727,25 11.197,26 13.623,27 78.953,28 12.98,29 4.234,30 176.75,31 249.79,32 6559,33 2.559,34 352.851,35 0.567,37 4.878,38 16.27,39 9.248,40 2.687,41 3.234,42 2.497,43 9.899,44 30.112,45 0.76,46 10562,47 60,48 6.806,49 5.04,50 644.637,51 6849.91,52 90.424,53 20.409,54 3.737,55 145.955,56 347.89,57 3.258,58 2.17,59 6.26,60 514,61 3.608,62 4.002,63 1.792,64 1.546,65 3.744,66 -0.139,67 -0.159,68 -0.124,69 -0.139,70 5.2}
{0 CHEMBL1966175,1 3.126,2 1.316,3 3.113,4 1,5 8.708,6 3.227,7 3.241,8 3.709,9 2.534,10 5.921,11 3.467,12 3.615,13 0.162,14 0.009,15 20.692,16 3.751,17 3.338,18 209,19 3.57,20 322.41,21 3.742,22 3.648,23 461,24 5.219,25 13.437,26 16.681,27 87.842,28 15.169,29 6.139,30 211.722,31 274.19,32 9545,33 2.72,34 395.442,35 0.665,37 5.526,38 16.75,39 10.757,40 3.039,41 3.376,42 2.566,43 11.686,44 33.661,45 1.512,46 16521,47 90,48 8.129,49 7.256,50 890.773,51 10016.6,52 111.395,53 22.808,54 2.494,55 165.609,56 395.847,57 3.377,58 2.512,59 7.434,60 762,61 3.493,62 4.449,63 1.709,64 1.535,65 3.926,66 0.67,67 0.945,68 0.626,69 0.67,70 5.3}
{0 CHEMBL1966204,1 2.845,2 2.243,3 3.713,5 13.548,6 3.868,7 3.712,8 3.939,9 3.232,10 8.133,11 3.774,12 3.867,13 0.25,14 0.008,15 15.31,16 3.816,17 3.715,18 420,19 3.829,20 412.46,21 5.028,22 3.78,23 933,24 7.693,25 16.288,26 20.338,27 116.372,28 19.164,29 6.486,30 244.568,31 336.7,32 23709,33 2.765,34 461.041,35 0.394,37 5.598,38 36.747,39 13.173,40 3.18,41 3.604,42 2.735,43 14.759,44 43.78,45 1.563,46 43892,47 145,48 9.651,49 6.467,50 1798.81,51 26220.9,52 163.088,53 29.542,54 4.09,55 202.331,56 485.449,57 3.597,58 3.125,59 7.402,60 1706,61 3.839,62 4.421,63 1.981,64 1.887,65 4.183,66 1.099,67 1.609,68 1.071,69 1.099,70 5.9}
{0 CHEMBL1966279,2 2.37,3 3.797,5 14.706,6 3.998,7 3.843,8 4.073,9 3.293,10 10.182,11 3.858,12 3.824,13 0.39,14 0.012,15 26.015,16 4.01,17 3.766,18 500,19 3.882,20 477.59,21 7.081,22 3.901,23 1074,24 8.449,25 18.932,26 24.381,27 128.796,28 23.645,29 9.06,30 298.11,31 418.61,32 30583,33 3.002,34 563.831,35 0.414,37 5.847,38 39.862,39 11.957,40 3.338,41 3.715,42 2.907,43 17.207,44 57.275,45 1.73,46 55881,47 190,48 12.062,49 10.524,50 2243.06,51 35612,52 185.22,53 31.932,54 5.366,55 237.372,56 570.947,57 3.744,58 2.967,60 2068,61 3.78,62 4.661,63 1.941,64 1.837,65 4.254,66 1.184,67 1.616,68 1.172,69 1.184,70 5.8}
{0 CHEMBL1966343,1 2.877,2 1.368,3 3.016,5 8,6 3.164,7 2.567,8 3.1,9 2.465,10 4.704,11 3.021,12 3.451,13 0.101,14 0.011,15 9.711,16 3.045,17 2.845,18 152,19 2.932,20 256.34,21 3.03,22 2.961,23 327,24 4.969,25 10.974,26 13.405,27 75.911,28 12.24,29 3.769,30 158.015,31 217.93,32 5199,33 2.468,34 325.104,35 0.707,37 4.595,38 13.269,39 9.58,40 2.535,41 3.173,42 2.347,43 9.131,44 27.911,45 0.632,46 8004,47 54,48 6.328,49 3.339,50 541.05,51 5271.87,52 82.239,53 18.928,54 2.359,55 136.492,56 324.801,57 3.19,58 2.334,59 7.391,60 406,61 3.434,62 3.794,63 1.57,64 1.388,65 3.685,66 -0.467,67 -0.593,68 -0.45,69 -0.467,70 5.5}
{0 CHEMBL1966425,2 2.296,3 3.702,5 13.758,6 3.932,7 3.822,8 3.958,9 3.245,10 9.358,11 4.045,12 3.761,13 0.303,14 0.009,15 26.956,16 4.081,17 3.931,18 454,19 3.89,20 442.56,21 6.14,22 3.991,23 1000,24 8.075,25 18.721,26 22.786,27 127.198,28 21.653,29 10.441,30 309.566,31 394.29,32 25518,33 2.934,34 544.002,35 0.386,37 5.773,38 42.198,39 12.854,40 3.296,41 3.716,42 2.911,43 16.064,44 47.969,45 1.716,46 42628,47 167,48 11.024,49 10.008,50 2076.25,51 31965.8,52 177.32,53 31.123,54 4.784,55 230.169,56 553.372,57 3.726,58 3.131,59 7.516,60 2142,61 3.738,62 4.813,63 1.937,64 1.773,65 4.242,66 1.358,67 1.669,68 1.309,69 1.358,70 5.2}
{0 CHEMBL1966501,2 2.313,3 3.588,5 12.519,6 3.824,7 3.623,8 3.617,9 3.102,10 7.814,11 3.542,12 3.741,13 0.267,14 0.01,15 18.053,16 3.69,17 3.526,18 338,19 3.555,20 379.41,21 5.662,22 3.59,23 711,24 7.555,25 14.792,26 17.104,27 95.563,28 19.564,29 6.878,30 232.801,31 332.78,32 18399,33 2.776,34 463.207,35 0.484,37 5.768,38 29.523,39 9.446,40 3.06,41 3.474,42 2.681,43 11.508,44 47.396,45 1.418,46 35570,47 115,48 8.558,49 8.45,50 1342.19,51 18338.6,52 137.517,53 26.599,54 4.953,55 182.323,56 436.628,57 3.467,58 2.946,60 1171,61 3.675,62 4.415,63 1.947,64 1.785,65 4.011,66 0.664,67 0.767,68 0.598,69 0.664,70 5.3}
{0 CHEMBL1966514,2 2.156,3 3.682,5 13.344,6 3.893,7 3.72,8 3.963,9 3.114,10 8.633,11 3.804,12 3.83,13 0.226,14 0.007,15 19.451,16 3.851,17 3.71,18 427,19 3.767,20 444.52,21 5.536,22 3.775,23 950,24 7.926,25 17.449,26 21.562,27 123.635,28 20.522,29 8.468,30 258.366,31 359.3,32 26604,33 2.841,34 482.38,35 0.384,37 5.621,38 37.156,39 13.212,40 3.376,41 3.656,42 2.735,43 15.641,44 46.025,45 1.694,46 50914,47 146,48 10.585,49 7.375,50 1930.7,51 28914.8,52 170.204,53 30.319,54 4.217,55 213.462,56 512.608,57 3.67,58 3.052,59 7.322,60 1776,61 3.801,62 4.51,63 1.891,64 1.843,65 4.21,66 1.107,67 1.612,68 1.064,69 1.107,70 6.3}
{0 CHEMBL1966628,1 3.187,2 1.478,3 3.308,4 1,5 10,6 3.418,7 3.163,8 3.47,9 2.736,10 6.168,11 3.465,12 3.669,13 0.153,14 0.008,15 15.556,16 3.537,17 3.331,18 230,19 3.318,20 308.43,21 3.878,22 3.42,23 513,24 5.782,25 12.866,26 15.648,27 90.848,28 14.462,29 5.389,30 201.329,31 268.04,32 8679,33 2.684,34 384.227,35 0.541,37 5.063,38 17.732,39 10.547,40 2.866,41 3.379,42 2.593,43 11.293,44 31.934,45 1,46 13666,47 84,48 8.071,49 5.643,50 864.674,51 9763.79,52 107.641,53 22.599,54 3.016,55 164.541,56 393.239,57 3.398,58 2.514,59 6.843,60 686,61 3.586,62 4.243,63 1.827,64 1.725,65 3.892,66 0.486,67 0.717,68 0.455,69 0.486,70 7.2}
{0 CHEMBL1966703,1 2.96,2 0.861,3 2.758,5 7.083,6 2.913,7 2.753,8 4.063,9 2.147,10 5.203,11 3.434,12 3.722,13 0.074,14 0.008,15 22.936,16 3.836,17 3.18,18 170,19 3.403,20 325.42,21 3.347,22 3.684,23 369,24 4.518,25 14.021,26 16.19,27 93.552,28 15.438,29 7.805,30 211.95,31 295.4,32 8062,33 2.7,34 415.604,35 0.837,37 5.269,38 14.743,39 10.426,40 2.865,41 3.437,42 2.694,43 10.961,44 33.342,45 1.305,46 13022,47 62,48 8.165,49 9.569,50 803.944,51 8944.34,52 108.593,53 22.177,54 2.398,55 168.537,56 402.99,57 3.463,58 2.734,59 6.823,60 742,61 3.656,62 4.507,63 1.797,64 1.621,65 3.92,70 5}
{0 CHEMBL1966722,2 1.571,3 3.414,5 11.214,6 3.598,7 3.766,8 4.002,9 2.843,10 9.168,11 3.762,12 3.86,13 0.276,14 0.01,15 25.295,16 3.896,17 3.613,18 314,19 3.98,20 411.94,21 6.645,22 3.743,23 666,24 6.612,25 16.297,26 20.985,27 114.116,28 20.297,29 8.68,30 202.574,31 357.34,32 16842,33 2.687,34 521.037,35 0.597,37 5.585,38 26.306,39 8.906,40 3.302,41 3.52,42 2.735,43 14.074,44 49.629,45 1.271,46 30915,47 130,48 9.25,49 9.681,50 1360,51 18069.2,52 140.664,53 26.797,54 4.898,55 205.667,56 493.588,57 3.553,58 2.805,60 1320,61 3.753,62 4.415,63 1.961,64 1.824,65 4.053,66 1,67 1.5,68 1,69 1,70 5.4}
{0 CHEMBL1966808,2 1.278,3 3.057,5 8.391,6 3.153,7 3.17,8 3.571,9 2.525,10 4.967,11 3.272,12 3.669,13 0.079,14 0.005,15 12.389,16 3.461,17 3.134,18 193,19 3.462,20 323.41,21 2.89,22 3.391,23 444,24 4.94,25 13.06,26 15.742,27 86.049,28 13.381,29 4.743,30 166.117,31 252.04,32 8606,33 2.614,34 335.659,35 0.632,37 5.122,38 16.628,39 11.055,40 2.919,41 3.362,42 2.482,43 11.718,44 28.459,45 1.24,46 15135,47 71,48 8.464,49 5.049,50 797.609,51 8525.64,52 104.395,53 21.917,54 1.978,55 152.96,56 364.983,57 3.387,58 2.658,59 7.67,60 632,61 3.515,62 3.949,63 1.68,64 1.661,65 3.909,66 0.763,67 1.104,68 0.726,69 0.763,70 5}
{0 CHEMBL1966816,2 1.488,3 3.283,5 9.76,6 3.468,7 3.302,8 3.514,9 2.661,10 6.559,11 3.174,12 3.503,13 0.23,14 0.011,15 7.686,16 3.149,17 3.189,18 244,19 3.599,20 350.3,21 4.452,22 3.211,23 517,24 6.163,25 12.433,26 14.656,27 80.387,28 16.969,29 3.81,30 170.77,31 268.89,32 14634,33 2.539,34 357.843,35 0.598,37 5.281,38 18.806,39 10.458,40 2.96,41 3.291,42 2.526,43 10.22,44 41.877,45 1.2,46 31136,47 70,48 6.999,49 3.516,50 1040.46,51 12783.5,52 120.95,53 24.24,54 3.797,55 151.687,56 361.877,57 3.229,58 2.587,60 854,61 3.38,62 3.884,63 1.629,64 1.476,65 3.944,66 0.136,67 0.166,68 0.124,69 0.136,70 7.7}
{0 CHEMBL1966842,2 2.693,3 3.904,5 15.814,6 4.107,7 4.408,8 4.562,9 3.383,10 12.942,11 4.5,12 3.878,13 0.605,14 0.009,15 42.762,16 4.526,17 4.41,18 680,19 4.506,20 589.78,21 8.68,22 4.446,23 1485,24 9.119,25 24.929,26 30.114,27 170.744,28 28.841,29 15.237,30 416.48,31 510.75,32 49967,33 3.269,34 716.012,35 0.352,37 6.204,38 61.378,39 15.655,40 3.427,41 3.964,42 3.104,43 21.416,44 63.721,45 2.19,46 85171,47 269,48 14.664,49 14.047,50 3708.46,51 67935.8,52 248.419,53 38.153,54 6.713,55 302.802,56 730.598,57 3.992,58 3.35,59 7.535,60 4449,61 3.855,62 5.209,63 2.006,64 1.901,65 4.501,66 1.55,67 2.086,68 1.451,69 1.55,70 5.5}
{0 CHEMBL1967094,1 3.055,2 1.821,3 3.491,5 11.48,6 3.625,7 3.488,8 3.761,9 2.953,10 6.984,11 3.379,12 3.823,13 0.186,14 0.009,15 13.381,16 3.534,17 3.291,18 287,19 3.583,20 367.88,21 4.555,22 3.413,23 634,24 6.577,25 14.695,26 18.079,27 102.768,28 16.308,29 4.897,30 185.376,31 293.33,32 13333,33 2.687,34 406.611,35 0.48,37 5.254,38 24.256,39 11.219,40 3.118,41 3.445,42 2.735,43 12.9,44 36.132,45 1.252,46 24710,47 104,48 8.96,49 5.822,50 1087.46,51 13404.7,52 122.064,53 24.608,54 3.458,55 178.02,56 426.13,57 3.494,58 2.666,59 7.526,60 920,61 3.786,62 3.97,63 1.681,64 1.597,65 3.966,66 0.979,67 1.38,68 0.917,69 0.979,70 5.9}
{0 CHEMBL1967116,2 2.226,3 3.736,5 13.909,6 3.936,7 3.765,8 4.033,9 3.268,10 8.87,11 3.95,12 3.859,13 0.276,14 0.008,15 22.943,16 4.005,17 3.827,18 459,19 3.855,20 454.6,21 5.77,22 3.903,23 1015,24 8.116,25 18.98,26 23.303,27 134.53,28 21.468,29 9.385,30 291.71,31 383.74,32 26428,33 2.956,34 531.633,35 0.381,37 5.634,38 39.743,39 13.372,40 3.38,41 3.708,42 2.935,43 16.428,44 48.15,45 1.878,46 46037,47 156,48 11.255,49 9.006,50 2078.24,51 31831.2,52 177.318,53 31.095,54 4.437,55 231.449,56 556.495,57 3.742,58 3.144,59 7.424,60 1957,61 3.805,62 4.646,63 1.893,64 1.846,65 4.238,66 1.182,67 1.729,68 1.178,69 1.182,70 7}
{0 CHEMBL1967252,1 2.99,2 1.063,3 2.753,5 6.438,6 2.826,7 1.718,8 2.757,9 2.203,10 3.546,11 2.157,12 3.303,13 0.03,14 0.01,15 6.479,16 2.652,17 1.972,18 103,19 2.478,20 209.27,21 2.051,22 2.533,23 227,24 4.045,25 8.936,26 10.958,27 63.644,28 9.254,29 1.914,30 121.627,31 178.2,32 3201,33 2.137,34 255.969,35 0.854,37 4.022,38 8.219,39 9.428,40 2.568,41 3.018,42 2.053,43 7.843,44 21.792,45 -0.211,46 5129,47 34,48 5.196,49 2.519,50 339.066,51 2857.94,52 63.375,53 15.929,54 1.551,55 113.182,56 267.924,57 3.041,58 2.085,59 6.804,60 230,61 3.26,62 3.237,63 1.706,64 1.492,65 3.533,66 -0.871,67 -1.3,68 -0.852,69 -0.871,70 5.6}
{0 CHEMBL1967302,1 3.281,2 2.033,3 3.684,4 1,5 13.233,6 3.855,7 3.621,8 3.771,9 3.111,10 7.94,11 3.743,12 3.768,13 0.225,14 0.008,15 20.673,16 3.84,17 3.662,18 397,19 3.693,20 398.5,21 4.991,22 3.748,23 895,24 7.735,25 16.391,26 20.501,27 115.32,28 18.859,29 7.587,30 286.423,31 350.9,32 20778,33 2.811,34 475.282,35 0.367,37 5.6,38 30.009,39 12.487,40 3.247,41 3.637,42 2.808,43 14.653,44 41.905,45 1.583,46 36017,47 122,48 9.971,49 8.836,50 1677.08,51 24318.1,52 157.086,53 28.881,54 3.98,55 206.988,56 496.811,57 3.652,58 2.94,59 7.506,60 1504,61 3.688,62 4.532,63 1.889,64 1.727,65 4.153,66 1.155,67 1.671,68 1.14,69 1.155,70 6.2}
{0 CHEMBL1967336,2 1.298,3 3.15,5 8.909,6 3.296,7 3.098,8 3.366,9 2.517,10 5.9,11 2.957,12 3.487,13 0.156,14 0.009,15 6.094,16 2.999,17 2.971,18 196,19 3.326,20 301.28,21 3.794,22 3.038,23 421,24 5.459,25 11.047,26 13.786,27 72.845,28 14.146,29 2.667,30 151.58,31 233.15,32 9656,33 2.527,34 320.779,35 0.661,37 5.036,38 15.537,39 10.103,40 2.712,41 3.171,42 2.284,43 9.826,44 34.471,45 1,46 19495,47 72,48 6.211,49 2.927,50 761.315,51 8369.5,52 100.9,53 21.636,54 3.117,55 136.901,56 325.797,57 3.113,58 2.429,60 636,61 3.375,62 3.683,63 1.59,64 1.462,65 3.828,66 -0.142,67 -0.176,68 -0.13,69 -0.142,70 5.3}
{0 CHEMBL1967513,2 1.488,3 3.289,5 9.76,6 3.471,7 3.355,8 3.639,9 2.661,10 6.77,11 3.226,12 3.669,13 0.23,14 0.011,15 8.393,16 3.204,17 3.212,18 244,19 3.694,20 366.75,21 4.687,22 3.246,23 517,24 6.173,25 13.189,26 16.027,27 84.976,28 17.308,29 3.863,30 172.77,31 278.03,32 14683,33 2.636,34 376.411,35 0.597,37 5.227,38 19.139,39 10.432,40 3.043,41 3.307,42 2.527,43 10.903,44 41.858,45 1.189,46 31280,47 70,48 7.371,49 3.764,50 1041.29,51 12817.5,52 121.005,53 24.256,54 4.12,55 158.822,56 379.286,57 3.265,58 2.822,60 862,61 3.401,62 3.876,63 1.604,64 1.475,65 3.944,66 0.131,67 0.162,68 0.112,69 0.131,70 5.3}
{0 CHEMBL1967531,2 1.926,3 3.491,5 11.731,6 3.677,7 3.308,8 3.545,9 2.922,10 7.199,11 3.422,12 3.789,13 0.143,14 0.007,15 13.468,16 3.485,17 3.3,18 305,19 3.382,20 361.46,21 4.607,22 3.395,23 674,24 6.901,25 14.456,26 18.286,27 104.575,28 16.64,29 5.692,30 188.905,31 297.48,32 14717,33 2.687,34 411.327,35 0.454,37 5.146,38 24.769,39 11.564,40 2.973,41 3.453,42 2.735,43 13.158,44 38.354,45 1.088,46 26743,47 100,48 8.797,49 4.991,50 1195.11,51 15364.4,52 129.175,53 25.535,54 3.596,55 180.349,56 431.811,57 3.482,58 2.854,59 6.862,60 900,61 3.757,62 4.097,63 1.789,64 1.748,65 4.004,66 1,67 1.5,68 0.979,69 1,70 5.8}
{0 CHEMBL1967544,2 1.852,3 3.583,5 12.333,6 3.735,7 4.191,8 4.384,9 3.063,10 9.769,11 4.34,12 3.974,13 0.526,14 0.011,15 42.071,16 4.441,17 4.238,18 444,19 4.315,20 497.67,21 6.526,22 4.322,23 972,24 7.208,25 20.982,26 25.536,27 145.007,28 24.051,29 14.173,30 344.304,31 433.43,32 28008,33 3.225,34 600.669,35 0.476,37 6.277,38 36.093,39 14.212,40 3.337,41 3.814,42 3.193,43 18.185,44 54.257,45 1.618,46 47407,47 170,48 13.05,49 16.734,50 2353.02,51 35871.4,52 193.457,53 32.443,54 4.514,55 257.428,56 619.884,57 3.859,58 3.161,60 2444,61 3.822,62 5.165,63 1.911,64 1.835,65 4.321,66 1.405,67 1.97,68 1.332,69 1.405,70 5.2}
{0 CHEMBL1967560,2 2.488,3 3.72,5 14.237,6 3.97,7 4.114,8 4.349,9 3.242,10 11.641,11 4.302,12 3.73,13 0.502,14 0.011,15 46.109,16 4.437,17 4.186,18 541,19 4.187,20 522.73,21 8.264,22 4.31,23 1181,24 8.367,25 22.736,26 26.811,27 147.504,28 26.975,29 13.152,30 413.823,31 485.31,32 33098,33 3.054,34 689.546,35 0.402,37 6.143,38 45.526,39 10.981,40 3.329,41 3.849,42 2.978,43 18.389,44 59.237,45 2.172,46 52203,47 224,48 13.551,49 14.479,50 2790.61,51 46312.4,52 211.289,53 34.488,54 5.588,55 275.721,56 664.518,57 3.864,58 3.418,59 6.293,60 2746,61 3.689,62 5.256,63 1.931,64 1.809,65 4.37,66 1.272,67 1.692,68 1.269,69 1.272,70 5}
{0 CHEMBL1967564,1 2.833,2 1.385,3 3.049,5 8.316,6 3.141,7 2.567,8 3.129,9 2.55,10 4.884,11 2.885,12 3.53,13 0.086,14 0.01,15 9.789,16 3.05,17 2.752,18 158,19 2.823,20 254.32,21 3.077,22 2.948,23 340,24 4.825,25 10.604,26 13.242,27 69.818,28 11.969,29 3.353,30 155.71,31 215.29,32 5210,33 2.266,34 311.834,35 0.751,37 4.764,38 14.022,39 10.138,40 2.892,41 3.153,42 2.236,43 9.275,44 27.811,45 0.666,46 8330,47 63,48 6.314,49 3.342,50 537.149,51 5150.03,52 81.722,53 18.844,54 2.259,55 133.565,56 317.658,57 3.163,58 2.376,59 6.823,60 408,61 3.5,62 3.752,63 1.664,64 1.531,65 3.693,66 -0.489,67 -0.693,68 -0.476,69 -0.489,70 5.1}
{0 CHEMBL1967612,2 0.746,3 2.317,5 4.769,6 2.328,8 2.223,9 1.826,10 2.545,12 3.298,18 62,20 217.64,21 1.702,23 127,24 3.055,25 7.815,26 10.388,27 46.701,28 8.691,30 67.487,31 154.57,32 2340,33 1.331,34 207.503,35 1.492,38 5.325,39 7.201,40 2.049,41 2.73,42 0.999,43 7.115,44 18.977,45 -0.674,46 4889,47 21,48 5.234,50 181.6,51 1323.28,52 45.329,53 12.493,54 1.253,55 89.667,56 210.548,57 2.765,58 0.664,59 7.195,60 107,61 2.962,63 1.013,64 1.064,65 3.293,66 -1.572,67 -2,68 -1.48,69 -1.572,70 4.2}
{0 CHEMBL1967704,1 2.967,2 1.833,3 3.343,5 10.417,6 3.57,7 3.456,8 3.571,9 2.73,10 6.793,11 3.41,12 3.803,13 0.234,14 0.012,15 17.974,16 3.523,17 3.31,18 250,19 3.578,20 346.45,21 4.739,22 3.438,23 531,24 6.48,25 14.222,26 17.406,27 91.473,28 16.743,29 5.824,30 210.968,31 285.98,32 11991,33 2.568,34 413.776,35 0.554,37 5.513,38 22.75,39 10.396,40 2.896,41 3.374,42 2.581,43 12.348,44 39.506,45 1.111,46 21871,47 86,48 9.29,49 6.002,50 985.314,51 11991.7,52 115.849,53 23.766,54 4.261,55 171.873,56 411.13,57 3.407,58 2.54,59 6.804,60 852,61 3.715,62 4.308,63 1.755,64 1.715,65 3.907,66 0.428,67 0.467,68 0.375,69 0.428,70 7.1}
{0 CHEMBL1967720,2 2.632,3 3.881,5 15.474,6 4.106,7 4.211,8 4.2,9 3.389,10 10.16,11 4.225,12 3.884,13 0.572,14 0.012,15 37.166,16 4.208,17 4.122,18 588,19 4.204,20 529.65,21 6.905,22 4.124,23 1272,24 9.046,25 21.344,26 26.51,27 146.818,28 25.828,29 12.813,30 332.896,31 441.56,32 41476,33 2.999,34 615.704,35 0.368,37 6.087,38 54.155,39 14.006,40 3.401,41 3.813,42 2.851,43 18.189,44 59.434,45 2.272,46 77411,47 210,48 12.463,49 10.323,50 2886.41,51 49340,52 213.682,53 34.897,54 5.155,55 259.695,56 625.415,57 3.83,58 3.327,59 7.455,60 3014,61 3.812,62 4.926,63 1.936,64 1.846,65 4.366,66 1.414,67 1.96,68 1.403,69 1.414,70 6.7}
{0 CHEMBL1967878,2 2.169,3 3.676,5 13.424,6 3.882,7 3.791,8 4.106,9 3.132,10 9.015,11 3.899,12 3.787,13 0.353,14 0.011,15 28.461,16 4.013,17 3.813,18 443,19 4.024,20 451.61,21 6.084,22 3.96,23 981,24 7.862,25 18.961,26 22.242,27 130.054,28 22.269,29 8.366,30 339.059,31 410.9,32 24411,33 2.954,34 566.251,35 0.391,37 5.916,38 35.609,39 10.973,40 3.143,41 3.723,42 2.941,43 15.474,44 48.053,45 2.013,46 39985,47 168,48 11.467,49 8.797,50 2049.49,51 31126.3,52 176.629,53 30.921,54 4.477,55 233.355,56 561.146,57 3.738,58 3.25,59 7.535,60 1917,61 3.629,62 4.791,63 1.923,64 1.724,65 4.235,66 1.241,67 1.6,68 1.211,69 1.241,70 7.3}
{0 CHEMBL1967887,1 2.99,2 1.45,3 3.113,5 8.65,6 3.234,7 2.86,8 3.271,9 2.546,10 5.511,11 3.039,12 3.395,13 0.119,14 0.01,15 12.652,16 3.255,17 2.912,18 173,19 3.099,20 268.35,21 3.566,22 3.151,23 373,24 5.15,25 11.258,26 13.949,27 78.057,28 12.943,29 4,30 175.362,31 232.59,32 6111,33 2.536,34 337.644,35 0.69,37 4.919,38 14.19,39 9.93,40 2.741,41 3.212,42 2.448,43 9.775,44 29.996,45 0.731,46 9945,47 72,48 6.507,49 4.511,50 614.456,51 6222.56,52 88.406,53 19.864,54 2.635,55 143.157,56 341.063,57 3.222,58 2.306,59 6.804,60 478,61 3.323,62 3.981,63 1.758,64 1.501,65 3.741,66 -0.353,67 -0.461,68 -0.345,69 -0.353,70 7.7}
{0 CHEMBL1967992,2 1.43,3 3.221,5 9.227,6 3.339,7 3.171,8 3.397,9 2.698,10 6.67,11 3.423,12 3.687,13 0.151,14 0.008,15 12.759,16 3.561,17 3.309,18 203,19 3.364,20 285.37,21 4.247,22 3.465,23 436,24 5.599,25 12.03,26 15.2,27 89.581,28 14.009,29 5.055,30 171.995,31 271.44,32 8101,33 2.687,34 377.715,35 0.637,37 5.3,38 18,39 9.866,40 2.7,41 3.321,42 2.721,43 10.865,44 34.384,45 1,46 13453,47 72,48 7.09,49 5.351,50 771.295,51 8617.27,52 101.475,53 21.815,54 3.4,55 159.026,56 379.784,57 3.357,58 2.429,60 700,61 3.641,62 4.106,63 1.828,64 1.716,65 3.834,66 0.469,67 0.669,68 0.442,69 0.469,70 5.3}
{0 CHEMBL1967998,1 2.943,2 2.336,3 3.816,5 14.625,6 3.989,7 3.94,8 3.968,9 3.296,10 9.427,11 3.876,12 3.877,13 0.281,14 0.008,15 27.032,16 3.92,17 3.783,18 468,19 3.979,20 449.01,21 6.233,22 3.839,23 1044,24 8.334,25 18.602,26 22.416,27 130.001,28 21.161,29 7.56,30 290.11,31 377.87,32 24854,33 2.869,34 531.777,35 0.353,37 5.627,38 38.602,39 12.507,40 3.307,41 3.668,42 2.894,43 15.963,44 46.042,45 1.602,46 41755,47 176,48 11.126,49 7.47,50 1978.53,51 30326.4,52 171.755,53 30.614,54 4.891,55 227.841,56 547.691,57 3.682,58 3.165,59 6.581,60 1882,61 3.66,62 4.603,63 1.932,64 1.746,65 4.214,66 1.093,67 1.622,68 1.049,69 1.093,70 6.2}
{0 CHEMBL1968127,2 1.7,3 3.447,5 11.5,6 3.636,7 3.758,8 4.058,9 2.921,10 8.172,11 3.873,12 3.782,13 0.382,14 0.012,15 26.673,16 3.993,17 3.784,18 345,19 3.94,20 408.53,21 5.589,22 3.924,23 739,24 6.735,25 17.555,26 20.433,27 115.058,28 20.517,29 7.853,30 270.955,31 353.22,32 17971,33 2.721,34 522.077,35 0.533,37 5.832,38 30.258,39 11.889,40 3.154,41 3.589,42 2.735,43 13.927,44 46.908,45 1.451,46 29363,47 128,48 9.758,49 8.821,50 1581.57,51 21728.6,52 153.401,53 28.125,54 4.555,55 211.842,56 508.654,57 3.593,58 3.044,59 7.535,60 1558,61 3.695,62 4.747,63 1.852,64 1.752,65 4.132,66 1,67 1.5,68 1,69 1,70 5.4}
{0 CHEMBL1968130,2 0.496,3 2.132,5 3.909,6 2.066,8 0.203,9 1.435,10 2.236,12 3.131,18 43,20 169.59,21 1.356,23 90,24 2.697,25 6.155,26 8.345,27 41.565,28 6.67,30 56.603,31 108.19,32 1412,33 0.454,34 171.767,35 1.628,36 1,38 3.256,39 7.367,40 2.062,41 2.456,42 0.452,43 5.576,44 15.01,45 -1.192,46 2599,47 13,48 3.267,50 113.646,51 766.962,52 35.143,53 10.551,54 0.904,55 74.54,56 173.638,57 2.386,58 0.493,59 6.823,60 74,61 2.812,63 1.077,64 0.902,65 3.148,66 -1.902,67 -2.837,68 -1.762,69 -1.902,70 4.3}
{0 CHEMBL1968151,2 1.114,3 2.865,5 7.158,6 2.953,7 2.741,8 3.067,9 2.26,10 3.967,11 2.737,12 3.654,13 0.054,14 0.007,15 8.581,16 2.969,17 2.553,18 136,19 3.053,20 269.31,21 2.259,22 2.892,23 309,24 4.385,25 10.386,26 13.173,27 68.741,28 10.821,29 3.354,30 114.211,31 195.2,32 5752,33 2.385,34 267.476,35 0.746,37 4.662,38 11.446,39 10.167,40 2.687,41 3.103,42 2.193,43 9.781,44 24.309,45 1,46 10946,47 47,48 6.474,49 2.544,50 505.015,51 4754.6,52 80.233,53 18.519,54 1.603,55 121.984,56 289.402,57 3.104,58 2.083,59 7.445,60 332,61 3.378,62 3.463,63 1.416,64 1.377,65 3.713,66 -0.381,67 -0.499,68 -0.361,69 -0.381,70 5.2}
{0 CHEMBL1968340,2 1.415,3 3.195,5 9.345,6 3.352,7 3.913,8 4.113,9 2.672,10 6.177,11 3.668,12 3.831,13 0.56,14 0.015,15 18.535,16 3.839,17 3.693,18 271,19 4.019,20 396.39,21 3.818,22 3.846,23 598,24 5.754,25 15.336,26 18.596,27 99.788,28 17.922,29 6.424,30 215.82,31 290.28,32 17367,33 2.727,34 427.898,35 0.575,37 5.934,38 23.237,39 13.255,40 3.027,41 3.49,42 2.618,43 13.021,44 39.288,45 1.459,46 34021,47 108,48 8.694,49 7.609,50 1360.84,51 17485.1,52 143.307,53 26.668,54 2.82,55 177.939,56 425.93,57 3.439,58 3.12,59 7.947,60 1323,61 3.719,62 4.54,63 1.84,64 1.644,65 4.112,66 1.12,67 1.632,68 1.069,69 1.12,70 5.5}
{0 CHEMBL1968380,2 2.488,3 3.72,5 14.237,6 3.97,7 4.107,8 4.35,9 3.242,10 11.665,11 4.326,12 3.73,13 0.502,14 0.011,15 46.069,16 4.452,17 4.205,18 541,19 4.183,20 521.74,21 8.292,22 4.321,23 1181,24 8.367,25 22.866,26 26.811,27 148.213,28 27.013,29 13.81,30 421.523,31 491.61,32 32586,33 3.054,34 699.295,35 0.402,37 6.139,38 45.526,39 10.981,40 3.332,41 3.869,42 2.978,43 18.389,44 59.237,45 2.176,46 50645,47 224,48 13.766,49 14.967,50 2790.61,51 46312.4,52 211.289,53 34.488,54 5.602,55 278.519,56 671.346,57 3.892,58 3.425,59 6.293,60 2746,61 3.689,62 5.263,63 1.967,64 1.815,65 4.37,66 1.272,67 1.692,68 1.27,69 1.272,70 6.2}
{0 CHEMBL1968406,2 1.969,3 3.577,5 12.467,6 3.753,7 3.542,8 3.85,9 3.057,10 7.785,11 3.694,12 3.827,13 0.246,14 0.009,15 20.944,16 3.791,17 3.58,18 374,19 3.648,20 415.56,21 4.973,22 3.692,23 837,24 7.24,25 17.345,26 21.018,27 122.323,28 19.164,29 7.719,30 266.539,31 354.32,32 19445,33 2.935,34 479.51,35 0.418,37 5.474,38 30.72,39 12.769,40 3.178,41 3.643,42 2.813,43 15.027,44 41.864,45 1.906,46 33310,47 134,48 10.758,49 8.009,50 1632.39,51 22759.4,52 154.987,53 28.47,54 3.609,55 211.325,56 507.392,57 3.684,58 3.023,59 7.081,60 1344,61 3.77,62 4.453,63 1.787,64 1.759,65 4.153,66 1.204,67 1.746,68 1.199,69 1.204,70 5.5}
{0 CHEMBL1968459,1 3.166,2 1.465,3 3.175,4 1,5 9.15,6 3.28,7 2.748,8 3.266,9 2.709,10 5.91,11 3.114,12 3.474,13 0.084,14 0.008,15 12.018,16 3.26,17 2.959,18 183,19 3.023,20 267.37,21 3.818,22 3.144,23 395,24 5.259,25 11.427,26 13.786,27 80.781,28 12.918,29 3.993,30 181.995,31 234.8,32 5884,33 2.484,34 345.42,35 0.676,37 4.764,38 15.32,39 9.95,40 2.792,41 3.216,42 2.409,43 9.881,44 30.009,45 0.836,46 8876,47 78,48 6.866,49 4.039,50 623.113,51 6327.98,52 88.71,53 19.972,54 2.77,55 145.955,56 347.89,57 3.236,58 2.419,59 6.843,60 508,61 3.494,62 3.967,63 1.821,64 1.66,65 3.744,66 -0.213,67 -0.234,68 -0.204,69 -0.213,70 7.8}
{0 CHEMBL1968590,2 1.805,3 3.352,5 10.462,6 3.488,7 3.647,8 3.969,9 2.888,10 6.859,11 3.637,12 3.633,13 0.347,14 0.014,15 19.585,16 3.813,17 3.496,18 272,19 3.936,20 380.53,21 4.552,22 3.672,23 591,24 6.044,25 15.871,26 18.966,27 110.681,28 17.255,29 7.062,30 214.968,31 307.63,32 13065,33 2.799,34 430.23,35 0.574,37 5.434,38 24.272,39 12.348,40 3.109,41 3.49,42 2.755,43 13.425,44 37.992,45 1.14,46 23415,47 107,48 9.692,49 8.059,50 1133.68,51 13767.3,52 126.096,53 24.861,54 3.185,55 187.613,56 449.535,57 3.558,58 2.859,59 7.535,60 1008,61 3.532,62 4.3,63 1.722,64 1.548,65 4,66 0.7,67 0.983,68 0.605,69 0.7,70 6.5}
{0 CHEMBL1968646,2 1.16,3 2.951,5 7.7,6 3.031,7 2.621,8 3.174,9 2.409,10 4.237,11 2.921,12 3.559,13 0.057,14 0.006,15 7.878,16 3.094,17 2.805,18 154,19 2.971,20 262.28,21 2.393,22 3.039,23 347,24 4.573,25 10.446,26 13.527,27 70.513,28 11.295,29 3.519,30 129.597,31 208.14,32 5994,33 2.501,34 295.424,35 0.724,37 4.716,38 13.04,39 11.514,40 2.687,41 3.208,42 2.42,43 9.826,44 26.061,45 0.928,46 10387,47 53,48 6.264,49 3.554,50 575.844,51 5618.43,52 86.338,53 19.435,54 1.747,55 129.909,56 308.738,57 3.197,58 2.432,59 6.88,60 408,61 3.501,62 3.663,63 1.552,64 1.464,65 3.763,66 -0.129,67 -0.177,68 -0.123,69 -0.129,70 5.3}
{0 CHEMBL1968705,1 2.991,2 2.27,3 3.762,5 14.2,6 3.976,7 4.355,8 4.314,9 3.295,10 12.135,11 4.514,12 3.835,13 0.584,14 0.009,15 40.963,16 4.506,17 4.425,18 568,19 4.384,20 535.71,21 8.007,22 4.429,23 1255,24 8.513,25 22.613,26 27.313,27 154.244,28 26.394,29 15.104,30 417.102,31 476.46,32 39214,33 3.152,34 661.741,35 0.369,37 6.183,38 57.585,39 13.839,40 3.43,41 3.914,42 3.117,43 19.64,44 56.924,45 1.961,46 64000,47 242,48 13.919,49 13.95,50 3100.98,51 54303.4,52 225.694,53 36.027,54 6.338,55 281.269,56 678.056,57 3.932,58 3.353,59 7.125,60 3954,61 3.817,62 5.234,63 1.977,64 1.872,65 4.436,66 1.456,67 2.041,68 1.398,69 1.456,70 5.5}
{0 CHEMBL1968791,2 2.286,3 3.654,4 1,5 13.429,6 3.864,7 4.028,8 4.201,9 3.161,10 9.637,11 4.304,12 3.804,13 0.367,14 0.008,15 37.541,16 4.388,17 4.179,18 470,19 4.106,20 467.67,21 6.215,22 4.249,23 1058,24 7.749,25 20.36,26 23.777,27 142.236,28 22.573,29 13.473,30 359.193,31 429.89,32 25578,33 2.933,34 595.346,35 0.39,37 5.88,38 45.022,39 12.744,40 3.313,41 3.836,42 2.869,43 17.17,44 46.98,45 1.675,46 39366,47 183,48 12.776,49 15.221,50 2299.14,51 35607.4,52 188.952,53 32.294,54 4.436,55 253.282,56 609.767,57 3.872,58 3.261,59 7.564,60 2523,61 3.804,62 5.097,63 2.005,64 1.894,65 4.305,66 1.361,67 1.785,68 1.283,69 1.361,70 5.3}
{0 CHEMBL1968868,2 1.66,3 3.412,5 10.962,6 3.598,7 3.384,8 3.669,9 2.888,10 6.896,11 3.254,12 3.595,13 0.246,14 0.011,15 9.285,16 3.259,17 3.271,18 285,19 3.573,20 357.32,21 4.644,22 3.316,23 600,24 6.52,25 13.003,26 16.234,27 85.909,28 17.509,29 4.166,30 179.362,31 285.84,32 16281,33 2.639,34 384.608,35 0.582,37 5.419,38 24.036,39 10.73,40 3.106,41 3.332,42 2.547,43 11.152,44 44.47,45 1.499,46 34093,47 102,48 7.278,49 4.012,50 1169.2,51 14738.3,52 128.014,53 25.204,54 4.037,55 161.021,56 384.651,57 3.279,58 2.745,60 1020,61 3.443,62 3.991,63 1.638,64 1.522,65 3.982,66 0.43,67 0.876,68 0.399,69 0.43,70 5.3}
{0 CHEMBL1968926,1 2.949,2 1.562,3 3.231,5 9.316,6 3.349,7 2.635,8 3.172,9 2.695,10 5.786,11 2.912,12 3.699,13 0.07,14 0.006,15 7.007,16 2.965,17 2.798,18 177,19 2.931,20 268.37,21 3.682,22 2.871,23 386,24 5.538,25 10.97,26 13.27,27 78.841,28 12.092,29 2.913,30 132.825,31 222.37,32 6134,33 2.526,34 323.319,35 0.581,37 4.445,38 14.77,39 9.411,40 2.687,41 3.161,42 2.35,43 9.87,44 28.036,45 1,46 10475,47 54,48 6.897,49 2.692,50 572.642,51 5798.9,52 84.131,53 19.479,54 3.08,55 137.772,56 327.924,57 3.213,58 2.041,59 6.581,60 425,61 3.473,62 3.561,63 1.42,64 1.315,65 3.696,66 -0.514,67 -0.638,68 -0.474,69 -0.514,70 5.5}
{0 CHEMBL1968930,1 3.139,2 1.49,3 3.181,4 1,5 9.261,6 3.337,7 3.365,8 3.785,9 2.666,10 6.34,11 3.54,12 3.656,13 0.215,14 0.013,15 25.484,16 3.616,17 3.37,18 213,19 3.705,20 330.86,21 4.418,22 3.507,23 452,24 5.565,25 13.854,26 16.949,27 93.949,28 16.029,29 6.404,30 202.968,31 278.31,32 8825,33 2.658,34 417.352,35 0.674,36 1,37 5.301,38 17.951,39 10.192,40 2.944,41 3.339,42 2.618,43 11.271,44 36.775,45 0.963,46 14367,47 77,48 7.772,49 5.624,50 844.158,51 9524.41,52 107.001,53 22.382,54 3.567,55 170.675,56 408.206,57 3.36,58 2.513,59 6.843,60 710,61 3.591,62 4.268,63 1.79,64 1.71,65 3.865,66 0.34,67 0.348,68 0.315,69 0.34,70 7.3}
{0 CHEMBL1969042,1 3.015,2 1.435,3 3.269,5 9.852,6 3.413,7 3.695,8 3.889,9 2.732,10 7.248,11 3.867,12 3.791,13 0.334,14 0.011,15 20.902,16 3.963,17 3.776,18 266,19 3.866,20 359.41,21 4.645,22 3.886,23 577,24 5.948,25 14.217,26 18.803,27 102.468,28 17.305,29 8.703,30 184.441,31 309.15,32 14168,33 2.687,34 451.753,35 0.597,37 5.796,38 24.798,39 10.753,40 2.833,41 3.493,42 2.735,43 13.097,44 39.86,45 1,46 25677,47 112,48 8.332,49 8.732,50 1198.12,51 15174.1,52 132.084,53 25.598,54 3.707,55 182.806,56 437.807,57 3.491,58 3.028,59 6.843,60 1281,61 3.786,62 4.611,63 1.957,64 1.848,65 4.038,66 1,67 1.5,68 1,69 1,70 6.6}
{0 CHEMBL1969049,2 1.846,3 3.504,5 11.538,6 3.645,7 3.389,8 3.583,9 2.95,10 8.049,11 3.608,12 3.693,13 0.209,14 0.009,15 18.926,16 3.729,17 3.497,18 300,19 3.486,20 346.46,21 5.573,22 3.604,23 637,24 6.695,25 15.192,26 18.518,27 103.05,28 18,29 7.299,30 243.814,31 332.56,32 12872,33 2.687,34 475.925,35 0.556,37 5.443,38 24.533,39 10.023,40 3.002,41 3.494,42 2.735,43 12.58,44 44.532,45 1.15,46 20994,47 98,48 8.541,49 8.344,50 1184.61,51 15065.8,52 128.602,53 25.397,54 4.251,55 191.929,56 460.066,57 3.529,58 2.499,60 1000,61 3.645,62 4.415,63 1.85,64 1.725,65 3.984,66 0.884,67 1.188,68 0.887,69 0.884,70 5}
{0 CHEMBL1969126,2 1.357,3 3.185,5 9.25,6 3.323,7 3.805,8 4.062,9 2.66,10 6.249,11 3.649,12 3.831,13 0.43,14 0.013,15 19.435,16 3.85,17 3.64,18 259,19 3.969,20 379.4,21 3.813,22 3.836,23 575,24 5.634,25 15.096,26 17.673,27 100.768,28 17.086,29 6.566,30 213.82,31 287.79,32 15295,33 2.762,34 402.734,35 0.581,37 5.803,38 22.102,39 13.161,40 3.026,41 3.493,42 2.733,43 12.72,44 37.346,45 1.42,46 28722,47 102,48 8.79,49 8.17,50 1255.93,51 15753.7,52 136.75,53 25.919,54 2.661,55 176.74,56 423.007,57 3.467,58 3.097,59 7.941,60 1224,61 3.72,62 4.522,63 1.88,64 1.647,65 4.083,66 1.059,67 1.457,68 1.055,69 1.059,70 7.2}
{0 CHEMBL1969151,1 3.183,2 1.669,3 3.399,4 1,5 10.808,6 3.563,7 3.567,8 3.92,9 2.907,10 7.414,11 3.689,12 3.763,13 0.218,14 0.009,15 24.156,16 3.771,17 3.554,18 281,19 3.775,20 370.93,21 5.008,22 3.649,23 616,24 6.355,25 15.793,26 18.596,27 106.784,28 17.564,29 7.113,30 229.611,31 317.85,32 12321,33 2.866,34 463.275,35 0.516,36 1,37 5.315,38 22.692,39 10.773,40 3.17,41 3.493,42 2.666,43 12.886,44 38.112,45 1.406,46 19585,47 100,48 9.378,49 7.073,50 1157.82,51 14397,52 127.384,53 25.124,54 3.818,55 192.058,56 460.382,57 3.521,58 2.727,59 6.843,60 986,61 3.611,62 4.419,63 1.8,64 1.723,65 4.002,66 1,67 1,68 0.981,69 1,70 7.4}
{0 CHEMBL1969190,2 2.053,3 3.562,5 12.6,6 3.804,7 3.58,8 3.849,9 3.073,10 8.203,11 3.53,12 3.795,13 0.302,14 0.011,15 15.921,16 3.606,17 3.489,18 378,19 3.568,20 410.41,21 5.464,22 3.564,23 818,24 7.572,25 15.701,26 19.51,27 107.307,28 19.981,29 6.478,30 224.574,31 332.29,32 23320,33 2.821,34 451.12,35 0.441,37 5.567,38 30.973,39 11.903,40 3.071,41 3.532,42 2.735,43 13.652,44 47.391,45 1.625,46 46231,47 110,48 8.808,49 6.29,50 1654.75,51 23766.2,52 156.34,53 28.679,54 4.192,55 191.997,56 460.233,57 3.497,58 3.095,59 6.843,60 1344,61 3.748,62 4.339,63 1.867,64 1.772,65 4.134,66 1,67 1.5,68 1,69 1,70 5.5}
{0 CHEMBL1969221,1 2.947,2 1.53,3 3.264,5 9.581,6 3.496,7 4.003,8 4.051,9 2.677,10 7.988,11 4.188,12 3.814,13 0.406,14 0.009,15 25.974,16 4.163,17 4.097,18 297,19 4.078,20 409.54,21 5.023,22 4.09,23 655,24 6.436,25 17.449,26 21.372,27 128.354,28 19.493,29 9.739,30 267.744,31 352.78,32 18454,33 2.828,34 497.235,35 0.512,37 5.818,38 31.682,39 12.204,40 3.226,41 3.648,42 2.762,43 15.097,44 43.241,45 1.43,46 30376,47 124,48 10.091,49 9.54,50 1625.41,51 22874.2,52 158.624,53 28.685,54 3.718,55 216.451,56 519.9,57 3.667,58 3.019,59 7.516,60 1851,61 3.825,62 4.84,63 1.992,64 1.886,65 4.182,66 1.138,67 1.56,68 1.101,69 1.138,70 7.1}
{0 CHEMBL1969301,2 2.01,3 3.664,5 12.941,6 3.819,7 4.026,8 4.152,9 3.125,10 10.847,11 4.279,12 3.779,13 0.475,14 0.011,15 35.754,16 4.319,17 4.156,18 440,19 4.09,20 457.63,21 7.652,22 4.208,23 937,24 7.595,25 19.881,26 24.079,27 131.385,28 23.984,29 12.963,30 348.434,31 437.06,32 24533,33 3.028,34 619.031,35 0.491,37 6.027,38 40.215,39 11.211,40 3.328,41 3.758,42 2.941,43 16.512,44 56.733,45 1.901,46 38701,47 154,48 12.109,49 13.052,50 2142.5,51 32877.8,52 182.235,53 31.464,54 5.343,55 249.953,56 601.645,57 3.794,58 3.024,59 7.034,60 2130,61 3.771,62 5.056,63 2.008,64 1.87,65 4.254,66 1.211,67 1.471,68 1.188,69 1.211,70 6.4}
{0 CHEMBL1969372,2 1.501,3 3.303,5 10.519,6 3.448,7 3.602,8 3.987,9 2.834,10 7.685,11 3.635,12 3.752,13 0.237,14 0.009,15 20.684,16 3.86,17 3.564,18 284,19 3.832,20 364.42,21 4.946,22 3.804,23 615,24 5.97,25 14.633,26 17.769,27 99.839,28 17.379,29 6.628,30 223.46,31 298.68,32 14198,33 2.763,34 426.08,35 0.602,37 5.673,38 25.213,39 11.92,40 2.966,41 3.445,42 2.735,43 12.865,44 39.916,45 1.273,46 25687,47 132,48 8.403,49 7.347,50 1210.27,51 15129.3,52 131.971,53 25.571,54 3.597,55 180.138,56 431.296,57 3.424,58 2.565,59 7.066,60 1246,61 3.604,62 4.539,63 1.841,64 1.717,65 4.042,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL1969473,1 2.991,2 1.465,3 3.202,5 9.185,6 3.358,7 3.631,8 3.907,9 2.696,10 6.73,11 3.957,12 3.8,13 0.154,14 0.005,15 19.53,16 4.022,17 3.825,18 248,19 3.818,20 351.44,21 3.947,22 3.924,23 561,24 5.777,25 14.579,26 18.054,27 108.911,28 15.833,29 8.778,30 205.95,31 296.18,32 12996,33 2.687,34 410.775,35 0.543,37 5.507,38 23.514,39 11.845,40 2.913,41 3.524,42 2.735,43 13.382,44 35.447,45 1.322,46 21992,47 99,48 8.847,49 8.379,50 1178.69,51 14786.7,52 131.439,53 25.52,54 2.997,55 183.678,56 439.934,57 3.545,58 2.545,59 7.413,60 1212,61 3.819,62 4.581,63 1.989,64 1.874,65 4.058,66 1,67 1.5,68 1,69 1,70 6.1}
{0 CHEMBL1969483,2 2.696,3 3.957,5 16.478,6 4.152,7 4.588,8 4.64,9 3.463,10 13.592,11 4.624,12 3.89,13 0.802,14 0.01,15 47.98,16 4.622,17 4.548,18 758,19 4.606,20 630.84,21 8.971,22 4.542,23 1686,24 9.409,25 26.498,26 31.813,27 183.669,28 30.36,29 15.761,30 447.49,31 543.99,32 59350,33 3.365,34 751.942,35 0.319,37 6.312,38 67.083,39 16.004,40 3.552,41 4.039,42 3.247,43 22.967,44 64.169,45 2.285,46 101903,47 288,48 16.039,49 16.147,50 4297.43,51 82158.5,52 270.466,53 40.206,54 6.802,55 321.388,56 775.947,57 4.064,58 3.424,59 7.535,60 5242,61 3.85,62 5.33,63 2.011,64 1.904,65 4.575,66 1.71,67 2.115,68 1.589,69 1.71,70 5.3}
{0 CHEMBL1969502,1 3.139,2 1.586,3 3.329,4 1,5 10.385,6 3.499,7 3.408,8 3.504,9 2.724,10 5.82,11 3.489,12 3.649,13 0.211,14 0.009,15 12.151,16 3.483,17 3.436,18 270,19 3.497,20 344.4,21 3.437,22 3.444,23 616,24 6.191,25 13.822,26 17.673,27 97.898,28 15.354,29 4.905,30 213.722,31 295.24,32 13124,33 2.687,34 386.065,35 0.472,37 5.342,38 21.03,39 11.564,40 3.052,41 3.484,42 2.662,43 12.704,44 34.021,45 1.437,46 23173,47 99,48 8.549,49 5.554,50 1137.32,51 14023.8,52 126.764,53 25.021,54 2.742,55 171.546,56 410.332,57 3.488,58 2.873,59 8.201,60 946,61 3.632,62 4.155,63 1.687,64 1.567,65 4.011,66 0.991,67 1.484,68 0.949,69 0.991,70 6.5}
{0 CHEMBL1969506,2 2.493,3 3.804,5 14.743,6 4.052,7 3.937,8 4.1,9 3.24,10 9.022,11 3.941,12 3.914,13 0.524,14 0.015,15 29.949,16 4.063,17 3.86,18 516,19 4.056,20 497.58,21 6.383,22 4.005,23 1092,24 8.762,25 19.972,26 25.793,27 132.181,28 24.764,29 10.179,30 290.479,31 421.53,32 34970,33 3.019,34 584.674,35 0.41,37 6.042,38 45.417,39 11.893,40 3.362,41 3.715,42 2.9,43 17.226,44 59.823,45 2.19,46 66274,47 167,48 12.051,49 9.747,50 2410.78,51 39552.7,52 192.921,53 32.748,54 5.338,55 238.699,56 574.186,57 3.723,58 3.441,59 6.843,60 2453,61 3.773,62 4.829,63 1.945,64 1.79,65 4.27,66 1.419,67 1.8,68 1.43,69 1.419,70 5.8}
{0 CHEMBL1969523,2 1.796,3 3.467,5 11.143,6 3.66,7 3.584,8 3.946,9 2.91,10 7.726,11 3.777,12 3.717,13 0.345,14 0.013,15 24.356,16 3.842,17 3.679,18 312,19 3.785,20 379.51,21 5.527,22 3.797,23 650,24 6.884,25 16.725,26 20.474,27 110.919,28 20.031,29 7.644,30 256.786,31 361.8,32 15076,33 2.764,34 545.721,35 0.567,37 5.747,38 27.357,39 10.806,40 3.002,41 3.537,42 2.618,43 13.147,44 49.702,45 1.437,46 23485,47 104,48 9.115,49 7.012,50 1383.39,51 18735.9,52 141.75,53 26.875,54 4.594,55 205.647,56 493.538,57 3.559,58 2.756,60 1260,61 3.656,62 4.643,63 1.866,64 1.764,65 4.045,66 1.145,67 1.203,68 1.079,69 1.145,70 6.6}
{0 CHEMBL1969537,2 0.67,3 2.593,5 5.95,6 2.648,7 1.112,8 3.826,9 1.766,10 3.871,11 2.063,12 3.83,15 15.102,16 3.032,17 1.6,18 119,19 2.757,20 320.46,21 2.279,22 2.698,23 277,24 3.818,25 12.713,26 14.784,27 85.857,28 11.776,29 4.032,30 124.606,31 199.15,32 5880,33 2.297,34 289.319,35 0.87,37 3.78,38 9.7,39 11.761,40 3.096,41 3.206,42 2.131,43 10.74,44 23.402,45 1.053,46 11176,47 38,48 7.91,49 5.888,50 503.064,51 4864.09,52 83.392,53 18.661,54 1.359,55 135.913,56 323.389,57 3.264,58 2.601,59 8.233,60 334,61 3.414,62 3.02,63 1.557,64 1.515,65 3.775,66 0.214,67 0.257,68 0.19,69 0.214,70 6.1}
{0 CHEMBL1969561,1 2.94,2 1.444,3 3.192,5 9.214,6 3.365,7 3.808,8 4.048,9 2.683,10 7.568,11 4.108,12 3.767,13 0.368,14 0.011,15 28.164,16 4.099,17 3.972,18 258,19 3.96,20 374.49,21 4.971,22 4.02,23 561,24 5.868,25 16.125,26 19.673,27 111.315,28 18.392,29 11.205,30 247.173,31 327.21,32 13818,33 2.788,34 478.085,35 0.618,37 5.851,38 24.929,39 11.275,40 3.061,41 3.533,42 2.758,43 13.542,44 42.003,45 1.332,46 22582,47 105,48 9.224,49 9.28,50 1271.98,51 16460.8,52 137.903,53 26.244,54 3.591,55 198.124,56 475.183,57 3.551,58 2.762,59 7.413,60 1364,61 3.656,62 4.85,63 1.939,64 1.709,65 4.068,66 1,67 1.5,68 0.987,69 1,70 5.2}
{0 CHEMBL1969664,1 2.941,2 1.728,3 3.375,4 1,5 10.76,6 3.537,7 3.115,8 3.562,9 2.919,10 6.755,11 3.238,12 3.617,13 0.206,14 0.012,15 11.758,16 3.476,17 3.157,18 269,19 3.333,20 334.41,21 4.31,22 3.374,23 593,24 6.262,25 13.697,26 17.225,27 94.054,28 15.952,29 4.186,30 211.329,31 292.94,32 11934,33 2.733,34 415.338,35 0.52,37 5.091,38 23.232,39 10.9,40 2.908,41 3.428,42 2.605,43 12.242,44 36.06,45 1.518,46 20690,47 96,48 8.246,49 6.088,50 1061.03,51 12822.2,52 120.908,53 24.372,54 3.19,55 172.274,56 412.11,57 3.43,58 2.718,59 7.034,60 895,61 3.526,62 4.006,63 1.869,64 1.679,65 3.968,66 0.714,67 1,68 0.688,69 0.714,70 5.3}
{0 CHEMBL1969735,2 1.551,3 3.334,5 10.733,6 3.524,7 3.953,8 4.262,9 2.857,10 8.172,11 3.888,12 3.792,13 0.463,14 0.014,15 29.677,16 4.097,17 3.799,18 322,19 4.144,20 426.92,21 5.589,22 4.019,23 688,24 6.349,25 17.228,26 20.933,27 114.578,28 20.517,29 8.912,30 252.683,31 348.49,32 18785,33 2.767,34 516.654,35 0.586,36 1,37 5.902,38 29.307,39 12.113,40 3.148,41 3.568,42 2.735,43 14.271,44 46.711,45 1.377,46 34118,47 132,48 9.723,49 9.425,50 1532.78,51 20731.4,52 151.901,53 27.847,54 4.258,55 207.655,56 498.439,57 3.567,58 3.062,59 7.081,60 1614,61 3.677,62 4.739,63 1.903,64 1.784,65 4.134,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL1969755,2 1.885,3 3.493,5 11.5,6 3.645,7 3.406,8 3.732,9 2.95,10 8.482,11 3.463,12 3.708,13 0.193,14 0.008,15 16.73,16 3.612,17 3.413,18 299,19 3.628,20 350.42,21 5.852,22 3.572,23 637,24 6.691,25 14.1,26 17.485,27 98.061,28 17.937,29 6.092,30 222.379,31 321.33,32 13777,33 2.687,34 459.653,35 0.556,37 5.566,38 25.976,39 9.821,40 2.845,41 3.465,42 2.735,43 12.258,44 44.452,45 1.13,46 23990,47 96,48 8.327,49 7.749,50 1184.53,51 15116.8,52 128.647,53 25.457,54 4.615,55 183.535,56 439.585,57 3.485,58 2.618,60 1036,61 3.642,62 4.292,63 1.836,64 1.719,65 3.987,66 1,67 1.479,68 0.983,69 1,70 5}
{0 CHEMBL1969843,1 2.955,2 1.601,3 3.236,5 9.381,6 3.374,7 2.828,8 3.289,9 2.701,10 5.49,11 3.137,12 3.632,13 0.056,14 0.004,15 9.031,16 3.169,17 3.011,18 197,19 3.087,20 283.37,21 3.356,22 3.087,23 446,24 5.633,25 11.697,26 14.071,27 82.577,28 12.839,29 3.939,30 177.421,31 233.87,32 7444,33 2.366,34 341.186,35 0.53,37 4.559,38 16.653,39 10.066,40 2.866,41 3.272,42 2.262,43 10.382,44 28.192,45 1.04,46 12463,47 65,48 7.297,49 3.792,50 708.442,51 7553.57,52 95.579,53 21.045,54 2.658,55 145.485,56 346.744,57 3.278,58 2.407,59 7.273,60 537,61 3.521,62 3.781,63 1.612,64 1.434,65 3.808,66 0.394,67 0.587,68 0.382,69 0.394,70 5}
{0 CHEMBL1969879,1 3.09,2 1.236,3 3.018,4 1,5 7.955,6 3.135,7 3.083,8 3.618,9 2.461,10 6.226,11 3.343,12 3.447,13 0.131,14 0.009,15 22.129,16 3.681,17 3.206,18 175,19 3.469,20 303.41,21 4.317,22 3.56,23 373,24 4.973,25 12.859,26 15.69,27 84.36,28 15.254,29 5.217,30 215.82,31 268.56,32 7394,33 2.607,34 410.515,35 0.773,37 5.51,38 14.182,39 8.901,40 2.914,41 3.293,42 2.522,43 10.613,44 34.261,45 1.046,46 12266,47 68,48 7.51,49 7.131,50 724.201,51 7765.13,52 99.178,53 21.194,54 2.841,55 159.802,56 381.678,57 3.298,58 2.479,59 6.605,60 602,61 3.294,62 4.484,63 1.66,64 1.468,65 3.823,66 0.245,67 0.272,68 0.22,69 0.245,70 5}
{0 CHEMBL1969942,1 2.843,2 2.024,3 3.543,5 11.846,6 3.738,7 3.311,8 3.547,9 2.969,10 6.984,11 3.389,12 3.806,13 0.198,14 0.009,15 12.568,16 3.476,17 3.316,18 308,19 3.364,20 346.39,21 4.38,22 3.412,23 682,24 7.165,25 13.662,26 17.062,27 97.609,28 16.308,29 5.246,30 202.15,31 291.34,32 15452,33 2.714,34 393.991,35 0.426,37 5.281,38 25.982,39 11.494,40 2.857,41 3.442,42 2.733,43 12.276,44 38.4,45 1.275,46 28626,47 92,48 8.048,49 4.843,50 1214.74,51 15890.8,52 130.088,53 25.722,54 3.761,55 173.214,56 414.402,57 3.44,58 2.727,59 6.581,60 982,61 3.778,62 4.128,63 1.891,64 1.787,65 4.004,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL1970006,1 2.99,2 1.215,3 3.082,4 1,5 8.417,6 3.266,7 3.69,8 3.599,9 2.355,10 6.396,11 3.545,12 3.826,13 0.34,14 0.013,15 15.047,16 3.596,17 3.474,18 202,19 3.587,20 346.46,21 4.452,22 3.497,23 427,24 5.585,25 14.131,26 17.57,27 96.598,28 16.706,29 5.216,30 208.968,31 281.89,32 10585,33 2.573,34 406.278,35 0.671,37 5.499,38 16.333,39 10.405,40 2.973,41 3.354,42 2.614,43 12.254,44 39.162,45 1.049,46 19034,47 57,48 9.072,49 6.697,50 901.442,51 10692.7,52 113.104,53 23.111,54 3.536,55 171.873,56 411.13,57 3.379,58 2.615,59 6.605,60 744,61 3.765,62 4.246,63 1.663,64 1.674,65 3.902,66 0.445,67 0.556,68 0.413,69 0.445,70 5}
{0 CHEMBL1970074,1 2.975,2 2.049,3 3.55,5 12.267,6 3.808,7 3.482,8 3.721,9 2.881,10 7.848,11 3.484,12 3.799,13 0.294,14 0.012,15 15.872,16 3.618,17 3.433,18 368,19 3.679,20 410.43,21 5.23,22 3.553,23 799,24 7.695,25 15.84,26 18.803,27 108.208,28 19.994,29 6.214,30 232.046,31 338.08,32 23356,33 2.731,34 451.812,35 0.425,37 5.456,38 30.267,39 11.98,40 3.247,41 3.557,42 2.735,43 13.097,44 47.434,45 1.535,46 45336,47 106,48 9.105,49 6.849,50 1656.28,51 24131.6,52 156.868,53 28.761,54 4.344,55 194.795,56 467.06,57 3.544,58 2.935,59 6.823,60 1432,61 3.765,62 4.281,63 1.894,64 1.782,65 4.132,66 1.111,67 1.6,68 1.078,69 1.111,70 5}
{0 CHEMBL1970104,1 6.478,2 1.397,3 3.106,5 8.636,6 3.25,7 2.938,8 3.358,9 2.556,10 4.604,11 3.249,12 3.589,13 0.22,14 0.015,15 11.362,16 3.424,17 3.112,18 190,19 3.095,20 290.4,21 2.801,22 3.303,23 420,24 5.236,25 12.936,26 15.32,27 87.891,28 13.382,29 4.687,30 177.593,31 249.8,32 7053,33 2.499,34 365.32,35 0.623,37 4.753,38 15.752,39 11.493,40 2.772,41 3.358,42 2.618,43 10.521,44 29.946,45 1.01,46 10558,47 58,48 7.46,49 4.564,50 750.764,51 7973.99,52 99.845,53 21.356,54 2.21,55 157.617,56 376.346,57 3.391,58 2.528,59 7.535,60 556,61 3.571,62 3.949,63 1.835,64 1.623,65 3.843,66 0.407,67 0.601,68 0.386,69 0.407,70 6.5}
{0 CHEMBL1970142,2 2.711,3 3.965,5 16.553,6 4.149,7 4.162,8 4.169,9 3.517,10 10.936,11 4.21,12 3.884,13 0.471,14 0.01,15 35.162,16 4.228,17 4.106,18 629,19 4.165,20 525.69,21 7.451,22 4.13,23 1362,24 9.224,25 21.966,26 27.164,27 151.902,28 25.89,29 12.06,30 349.189,31 452.79,32 39514,33 3.052,34 635.403,35 0.359,37 6.033,38 56.593,39 13.996,40 3.409,41 3.834,42 3,43 18.788,44 59.442,45 2.238,46 68947,47 240,48 12.886,49 11.193,50 2916.69,51 50214.5,52 214.303,53 35.027,54 5.45,55 268.089,56 645.897,57 3.864,58 3.334,59 7.445,60 3094,61 3.811,62 4.924,63 1.904,64 1.847,65 4.369,66 1.414,67 1.951,68 1.372,69 1.414,70 7.5}
{0 CHEMBL1970189,1 2.854,2 0.77,3 2.565,5 5.95,6 2.686,7 0.798,8 3.875,9 1.857,10 4.858,11 2.001,12 3.526,15 11.049,16 3.019,17 1.625,18 119,19 2.559,20 286.74,21 3.168,22 2.813,23 252,24 4.043,25 11.401,26 14.776,27 76.815,28 13.042,29 2.984,30 144.825,31 238.76,32 5782,33 2.462,34 330.375,35 1.022,37 3.951,38 10.7,39 9.3,40 2.853,41 3.171,42 2.269,43 9.919,44 29.461,45 1.194,46 10554,47 46,48 6.378,49 4.826,50 510.42,51 5178.64,52 84.599,53 18.911,54 1.995,55 138.97,56 330.847,57 3.17,58 2.353,59 6.823,60 478,61 3.399,62 3.373,63 1.664,64 1.478,65 3.733,66 -0.234,67 -0.298,68 -0.213,69 -0.234,70 5}
{0 CHEMBL1970203,2 2.273,3 3.681,5 13.516,6 3.927,7 3.666,8 3.845,9 3.084,10 8.9,11 3.779,12 3.841,13 0.313,14 0.01,15 20.18,16 3.834,17 3.681,18 419,19 3.775,20 432.55,21 6.048,22 3.742,23 909,24 8.216,25 17.709,26 22.311,27 122.776,28 21.066,29 7.462,30 243.784,31 366.53,32 24354,33 2.904,34 510.912,35 0.397,37 5.545,38 34.127,39 11.833,40 3.288,41 3.613,42 2.825,43 15.339,44 49.888,45 2.086,46 43609,47 120,48 10.322,49 7.487,50 1826.05,51 27704.6,52 165.01,53 29.809,54 4.941,55 216.989,56 521.213,57 3.637,58 2.995,59 6.862,60 1570,61 3.823,62 4.469,63 1.839,64 1.805,65 4.164,66 1.016,67 1.502,68 1,69 1.016,70 7.2}
{0 CHEMBL1970217,2 1.911,3 3.504,5 11.654,6 3.673,7 3.387,8 3.532,9 2.936,10 8.049,11 3.528,12 3.71,13 0.185,14 0.008,15 17.63,16 3.68,17 3.436,18 303,19 3.445,20 346.46,21 5.573,22 3.555,23 643,24 6.857,25 15.192,26 18.518,27 103.05,28 18,29 6.716,30 241.814,31 332.56,32 13082,33 2.687,34 475.925,35 0.535,37 5.42,38 25.112,39 10.16,40 2.988,41 3.494,42 2.735,43 12.58,44 44.605,45 1.151,46 21258,47 98,48 8.541,49 8.016,50 1193.86,51 15367.7,52 129.158,53 25.485,54 4.251,55 191.929,56 460.066,57 3.529,58 2.516,60 1000,61 3.669,62 4.344,63 1.873,64 1.745,65 3.984,66 0.887,67 1.191,68 0.888,69 0.887,70 5.6}
{0 CHEMBL1970290,2 2.351,3 3.771,5 14.538,6 4.003,7 4.261,8 4.291,9 3.224,10 12.565,11 4.47,12 3.779,13 0.673,14 0.012,15 46.321,16 4.429,17 4.379,18 567,19 4.337,20 526.75,21 9.182,22 4.359,23 1198,24 8.596,25 23.415,26 27.993,27 155.843,28 28.5,29 14.603,30 398.994,31 503.72,32 35065,33 3.228,34 732.049,35 0.455,37 6.349,38 51.428,39 12.698,40 3.392,41 3.89,42 3.123,43 18.689,44 70.203,45 1.812,46 53450,47 228,48 13.466,49 14.095,50 2966.32,51 51274.1,52 219.299,53 35.344,54 7.125,55 292.189,56 704.701,57 3.929,58 3.344,59 6.862,60 3519,61 3.738,62 5.285,63 1.992,64 1.784,65 4.382,66 1.324,67 1.9,68 1.276,69 1.324,70 5.3}
{0 CHEMBL1970314,2 1.065,3 2.87,5 7.15,6 2.978,7 2.731,8 3.319,9 2.253,10 4.854,11 2.867,12 3.44,13 0.094,14 0.009,15 10.289,16 3.24,17 2.749,18 143,19 3.073,20 263.32,21 3.03,22 3.141,23 306,24 4.539,25 10.706,26 14.113,27 78.397,28 12.486,29 3.556,30 162.465,31 233.61,32 5783,33 2.368,34 320.257,35 0.835,37 5.138,38 12.67,39 10.196,40 2.739,41 3.216,42 2.37,43 9.648,44 29.717,45 0.869,46 9785,47 48,48 6.195,49 4.982,50 565.864,51 5653.42,52 86.436,53 19.384,54 2.335,55 140.1,56 333.605,57 3.232,58 2.443,60 434,61 3.379,62 3.814,63 1.615,64 1.467,65 3.738,66 -0.418,67 -0.528,68 -0.401,69 -0.418,70 5.9}
{0 CHEMBL1970317,2 2.226,3 3.736,5 13.909,6 3.936,7 3.786,8 4.054,9 3.268,10 8.831,11 3.892,12 3.859,13 0.276,14 0.008,15 20.768,16 3.964,17 3.789,18 459,19 3.855,20 458.56,21 5.729,22 3.87,23 1015,24 8.116,25 18.358,26 22.432,27 129.706,28 21.407,29 8.836,30 274.913,31 372.51,32 28354,33 2.861,34 508.39,35 0.381,37 5.69,38 39.743,39 13.372,40 3.376,41 3.68,42 2.775,43 16.035,44 48.15,45 1.878,46 53129,47 156,48 10.944,49 8.75,50 2078.24,51 31831.2,52 177.318,53 31.095,54 4.413,55 223.055,56 536.013,57 3.698,58 3.136,59 7.424,60 1957,61 3.8,62 4.601,63 1.893,64 1.843,65 4.238,66 1.182,67 1.729,68 1.166,69 1.182,70 6.2}
{0 CHEMBL1970340,2 0.858,3 2.645,5 5.882,6 2.725,7 0.879,8 2.99,9 1.904,10 3.786,11 1.695,12 3.271,15 5.907,16 2.54,17 1.482,18 100,19 2.607,20 226.25,21 2.265,22 2.465,23 217,24 3.93,25 8.921,26 11.828,27 65.672,28 10.173,29 1.495,30 122.382,31 184.78,32 3888,33 2.085,34 269.751,35 0.942,37 4.007,38 8.339,39 9.617,40 2.606,41 3.041,42 1.771,43 8.254,44 23.537,45 -0.057,46 6781,47 36,48 5.188,49 3.07,50 370.535,51 3298.05,52 68.232,53 16.578,54 1.646,55 114.38,56 270.847,57 3.033,58 2.178,59 6.823,60 293,61 3.156,62 3.033,63 1.434,64 1.281,65 3.586,66 -0.574,67 -0.756,68 -0.554,69 -0.574,70 4.7}
{0 CHEMBL1970352,2 1.199,3 3.019,4 1,5 8.37,6 3.161,7 4.297,8 4.347,9 2.476,10 7.167,11 4.023,12 3.796,13 0.307,14 0.013,15 55.294,16 4.213,17 3.748,18 226,19 4.449,20 471.31,21 4.862,22 4.025,23 485,24 5.166,25 17.15,26 20.629,27 113.488,28 18.318,29 15.521,30 221.624,31 332.37,32 12391,33 2.869,34 472.56,35 0.755,37 5.762,38 21.811,39 12.051,40 3.237,41 3.537,42 2.836,43 13.89,44 39.642,45 1.529,46 21949,47 96,48 9.792,49 14.331,50 1109.63,51 13426.3,52 128.7,53 24.861,54 3.006,55 199.322,56 478.106,57 3.594,58 2.993,59 7.248,60 1034,61 3.696,62 4.722,63 1.82,64 1.664,65 4.035,66 1,67 1.433,68 0.992,69 1,70 5.3}
{0 CHEMBL1970369,1 2.883,2 1.69,3 3.37,5 10.24,6 3.521,7 3.292,8 3.641,9 2.793,10 6.429,11 3.269,12 3.72,13 0.224,14 0.011,15 11.376,16 3.338,17 3.238,18 256,19 3.469,20 339.39,21 4.115,22 3.343,23 564,24 6.225,25 13.436,26 17.389,27 90.581,28 16.001,29 3.994,30 216.477,31 280.77,32 12450,33 2.68,34 395.514,35 0.515,37 5.319,38 21.219,39 10.525,40 3.016,41 3.396,42 2.591,43 12.114,44 36.053,45 1.282,46 22511,47 78,48 8.104,49 4.289,50 1056.4,51 12797.6,52 120.933,53 24.328,54 3.085,55 166.808,56 398.771,57 3.383,58 2.539,59 7.286,60 862,61 3.608,62 4.043,63 1.587,64 1.496,65 3.962,66 0.737,67 1.048,68 0.725,69 0.737,70 5}
{0 CHEMBL1970522,2 1.743,3 3.329,5 10.087,6 3.489,7 3.212,8 3.638,9 2.773,10 6.898,11 3.176,12 3.765,13 0.173,14 0.01,15 13.05,16 3.326,17 3.113,18 232,19 3.499,20 326.4,21 4.695,22 3.281,23 494,24 6.08,25 13.132,26 16.587,27 91.11,28 15.654,29 4.625,30 177.24,31 286.9,32 10306,33 2.687,34 401.401,35 0.588,37 5.351,38 19.985,39 10.094,40 2.941,41 3.326,42 2.618,43 11.56,44 36.95,45 1.035,46 18561,47 78,48 7.688,49 5.33,50 882.746,51 10236.5,52 108.715,53 22.808,54 3.754,55 162.022,56 387.093,57 3.353,58 2.464,59 6.783,60 741,61 3.593,62 3.886,63 1.586,64 1.446,65 3.869,66 0.142,67 0.166,68 0.126,69 0.142,70 6}
{0 CHEMBL1970709,1 2.869,2 1.583,3 3.338,5 10.238,6 3.489,7 3.491,8 3.445,9 2.761,10 6.286,11 3.144,12 3.777,13 0.072,14 0.005,15 11.056,16 3.159,17 3.046,18 215,19 3.347,20 345.22,21 4.223,22 3.079,23 469,24 6.086,25 12.645,26 15.656,27 84.964,28 14.108,29 3.659,30 162.974,31 249.23,32 8801,33 2.687,34 353.635,35 0.532,37 4.84,38 16.186,39 9.56,40 2.855,41 3.233,42 2.37,43 10.781,44 32.503,45 1,46 16450,47 73,48 7.223,49 4.212,50 732.764,51 8115.31,52 97.152,53 21.359,54 3.625,55 152.143,56 362.99,57 3.252,58 2.517,59 6.581,60 565,61 3.311,62 3.743,63 1.551,64 1.392,65 3.785,66 -0.123,67 -0.147,68 -0.085,69 -0.123,70 5}
{0 CHEMBL1970735,2 1.017,3 2.832,5 7.059,6 2.958,7 2.271,8 3.134,9 2.257,10 6.069,11 2.731,12 3.393,13 0.049,14 0.01,15 12.112,16 3.053,17 2.537,18 120,19 2.759,20 234.29,21 4.739,22 2.931,23 229,24 4.437,25 9.78,26 12.836,27 63.784,28 13.274,29 2.956,30 138.07,31 221.34,32 4005,33 2.219,34 333.025,35 1.315,37 5.14,38 12.298,39 7.132,40 2.694,41 2.954,42 2.113,43 8.079,44 37.755,45 0.404,46 6485,47 48,48 5.191,49 3.511,50 402.329,51 3691.36,52 70.02,53 16.996,54 3.613,55 126.498,56 300.415,57 2.945,58 1.885,60 324,61 3.31,62 3.867,63 1.699,64 1.455,65 3.531,66 -1,67 -1.233,68 -1.051,69 -1,70 5.2}
{0 CHEMBL1970806,2 1.278,3 3.057,5 8.391,6 3.153,7 3.163,8 3.571,9 2.525,10 4.967,11 3.243,12 3.671,13 0.079,14 0.005,15 11.987,16 3.444,17 3.117,18 193,19 3.475,20 323.41,21 2.89,22 3.377,23 444,24 4.94,25 13.06,26 15.742,27 86.049,28 13.381,29 4.461,30 174.117,31 252.04,32 8572,33 2.604,34 335.659,35 0.632,37 5.019,38 16.628,39 11.055,40 2.922,41 3.362,42 2.498,43 11.718,44 28.459,45 1.24,46 14999,47 71,48 8.464,49 4.926,50 797.609,51 8525.64,52 104.395,53 21.917,54 1.978,55 152.96,56 364.983,57 3.387,58 2.666,59 7.67,60 632,61 3.519,62 3.901,63 1.68,64 1.661,65 3.909,66 0.763,67 1.104,68 0.727,69 0.763,70 5}
{0 CHEMBL1970821,1 3.163,2 1.554,3 3.259,4 1,5 9.909,6 3.392,7 3.21,8 3.695,9 2.754,10 6.987,11 3.314,12 3.539,13 0.142,14 0.009,15 17.546,16 3.474,17 3.174,18 218,19 3.508,20 316.82,21 4.805,22 3.355,23 467,24 5.661,25 12.768,26 15.864,27 90.094,28 15.129,29 5.169,30 198.131,31 265.1,32 8476,33 2.579,34 394.228,35 0.649,36 1,37 5.081,38 18.769,39 10.118,40 3.028,41 3.301,42 2.456,43 11.064,44 34.493,45 1.034,46 14602,47 96,48 7.603,49 5.556,50 783.585,51 8601.08,52 101.382,53 21.77,54 3.534,55 161.082,56 384.801,57 3.32,58 2.513,59 6.843,60 678,61 3.516,62 4.106,63 1.847,64 1.667,65 3.831,66 0.202,67 0.213,68 0.183,69 0.202,70 8.5}
{0 CHEMBL1970873,2 0.934,3 2.692,5 6.294,6 2.721,7 1.397,8 2.656,9 1.971,10 3.807,11 2.115,12 3.284,13 0.031,14 0.016,15 4.213,16 2.692,17 1.873,18 107,19 2.043,20 224.28,21 2.286,22 2.465,23 234,24 3.824,25 9.45,26 11.828,27 66.782,28 10.209,29 1.838,30 125.372,31 204.19,32 3443,33 2.246,34 273.382,35 0.969,37 3.62,38 8.512,39 9.21,40 2.705,41 3.081,42 2.281,43 8.237,44 23.525,45 0.361,46 5439,47 33,48 5.52,49 3.471,50 370.017,51 3209.82,52 67.771,53 16.482,54 1.756,55 119.976,56 284.502,57 3.102,58 2.352,59 5.38,60 199,61 3.167,62 2.93,63 1.55,64 1.296,65 3.59,66 -0.789,67 -1.127,68 -0.806,69 -0.789,70 4.5}
{0 CHEMBL1970903,1 6.316,2 1.969,3 3.63,4 1,5 12.733,6 3.831,7 3.616,8 3.797,9 3.07,10 7.94,11 3.777,12 3.805,13 0.218,14 0.008,15 22.071,16 3.872,17 3.676,18 382,19 3.697,20 397.52,21 4.991,22 3.768,23 862,24 7.665,25 16.722,26 20.501,27 118.181,28 18.859,29 7.943,30 290.825,31 342.21,32 20032,33 2.852,34 480.341,35 0.371,37 5.528,38 29.467,39 13.196,40 3.244,41 3.641,42 2.821,43 14.67,44 41.895,45 1.546,46 33710,47 120,48 10.007,49 8.967,50 1666.43,51 24137.8,52 156.872,53 28.836,54 3.852,55 209.786,56 503.638,57 3.66,58 2.857,59 7.506,60 1490,61 3.719,62 4.578,63 1.893,64 1.746,65 4.153,66 1.154,67 1.669,68 1.139,69 1.154,70 7.3}
{0 CHEMBL1970913,2 1.285,3 3.06,5 8.435,6 3.185,7 3.245,8 3.661,9 2.512,10 6.371,11 3.57,12 3.566,13 0.189,14 0.01,15 19.234,16 3.641,17 3.441,18 194,19 3.517,20 310.39,21 4.287,22 3.568,23 408,24 5.135,25 13.166,26 16.397,27 86.763,28 15.479,29 6.979,30 202.15,31 273.34,32 8154,33 2.681,34 397.012,35 0.792,37 5.55,38 19.569,39 10.576,40 2.952,41 3.332,42 2.596,43 11.135,44 36.492,45 1.347,46 13063,47 83,48 7.752,49 6.13,50 805.755,51 8950.29,52 105.372,53 22.055,54 2.914,55 163.411,56 390.482,57 3.346,58 2.548,59 7.05,60 692,61 3.513,62 4.436,63 1.865,64 1.641,65 3.869,66 0.155,67 0.189,68 0.161,69 0.155,70 5}
{0 CHEMBL1970950,2 1.782,3 3.382,5 10.48,6 3.578,7 3.358,8 3.608,9 2.725,10 7.748,11 3.369,12 3.738,13 0.197,14 0.009,15 13.934,16 3.496,17 3.316,18 262,19 3.555,20 336.38,21 5.236,22 3.469,23 555,24 6.555,25 13.178,26 17.648,27 94.727,28 16.894,29 4.529,30 212.905,31 294.15,32 13152,33 2.672,34 432.062,35 0.549,37 5.488,38 22.787,39 10.445,40 2.917,41 3.372,42 2.628,43 12.114,44 41.887,45 1.287,46 24001,47 86,48 7.558,49 5.055,50 1073.53,51 13518.6,52 122.305,53 24.588,54 4.534,55 171.144,56 409.352,57 3.359,58 2.792,60 917,61 3.622,62 4.201,63 1.812,64 1.715,65 3.95,66 0.609,67 0.718,68 0.568,69 0.609,70 6.2}
{0 CHEMBL1971021,2 1.887,3 3.497,5 11.813,6 3.722,7 3.783,8 4.159,9 2.945,10 8.327,11 3.644,12 3.817,13 0.388,14 0.012,15 22.424,16 3.777,17 3.638,18 378,19 4.121,20 439.47,21 5.703,22 3.832,23 814,24 7.166,25 17.354,26 20.543,27 115.715,28 21.915,29 7.615,30 254.648,31 381.37,32 23967,33 2.941,34 498.906,35 0.504,37 6.176,38 31.375,39 11.201,40 3.244,41 3.637,42 2.918,43 13.902,44 51.882,45 2.129,46 44253,47 128,48 9.896,49 8.437,50 1846.28,51 26731.4,52 167.607,53 29.79,54 4.661,55 211.182,56 507.043,57 3.632,58 3.14,59 6.823,60 1760,61 3.763,62 4.544,63 1.878,64 1.778,65 4.19,66 1.223,67 1.675,68 1.184,69 1.223,70 5}
{0 CHEMBL1971029,2 2.137,3 3.74,5 13.973,6 3.94,7 4.512,8 4.688,9 3.221,10 11.858,11 4.236,12 3.937,13 0.513,14 0.011,15 47.804,16 4.28,17 4.146,18 517,19 4.742,20 590.56,21 8.797,22 4.219,23 1094,24 8.222,25 23.058,26 27.829,27 145.845,28 27.45,29 12.022,30 343.189,31 465.17,32 36037,33 3.033,34 657.703,35 0.459,37 6.186,38 42.156,39 12.042,40 3.608,41 3.779,42 2.941,43 19.11,44 64.812,45 1.86,46 65910,47 190,48 13.768,49 11.886,50 2624.26,51 43176.7,52 204.423,53 33.738,54 6.466,55 268.729,56 647.458,57 3.804,58 3.361,60 2693,61 3.691,62 5.003,63 1.892,64 1.738,65 4.332,66 1.311,67 1.883,68 1.201,69 1.311,70 7.8}
{0 CHEMBL1971132,2 2.29,3 3.598,5 12.615,6 3.836,7 3.474,8 3.531,9 3.09,10 7.587,11 3.346,12 3.732,13 0.246,14 0.011,15 15.883,16 3.498,17 3.349,18 328,19 3.451,20 365.38,21 5.425,22 3.434,23 692,24 7.633,25 13.869,26 16.234,27 90.522,28 18.592,29 5.706,30 207.46,31 315.48,32 17446,33 2.687,34 437.131,35 0.461,37 5.645,38 28.379,39 9.389,40 3.024,41 3.426,42 2.677,43 11.097,44 44.842,45 1.251,46 34353,47 110,48 8.141,49 6.482,50 1246.67,51 16829.5,52 131.57,53 25.935,54 4.928,55 172.731,56 413.223,57 3.411,58 2.858,60 1064,61 3.669,62 4.265,63 1.931,64 1.776,65 3.977,66 0.663,67 0.767,68 0.595,69 0.663,70 5.3}
{0 CHEMBL1971141,2 2.024,3 3.548,5 11.846,6 3.74,7 3.289,8 3.538,9 2.969,10 7.851,11 3.482,12 3.732,13 0.229,14 0.011,15 15.579,16 3.556,17 3.381,18 308,19 3.388,20 345.43,21 5.348,22 3.478,23 652,24 7.177,25 14.322,26 18.518,27 101.249,28 17.711,29 5.986,30 217.624,31 323.62,32 14280,33 2.687,34 445.552,35 0.502,37 5.326,38 26.497,39 10.333,40 2.966,41 3.465,42 2.735,43 12.508,44 44.694,45 1.24,46 24363,47 92,48 8.161,49 5.806,50 1215.4,51 15975.1,52 130.189,53 25.683,54 4.721,55 186.203,56 446.096,57 3.487,58 2.769,60 1000,61 3.71,62 4.25,63 1.893,64 1.777,65 3.985,66 1,67 1.475,68 1,69 1,70 5}
{0 CHEMBL1971149,2 1.578,3 3.353,5 10.875,6 3.567,7 3.965,8 4.281,9 2.871,10 8.251,11 3.969,12 3.784,13 0.528,14 0.014,15 29.803,16 4.129,17 3.905,18 348,19 4.192,20 438.48,21 5.619,22 4.104,23 738,24 6.571,25 17.596,26 21.303,27 113.463,28 21.79,29 10.07,30 272.158,31 362.8,32 22776,33 2.869,34 526.675,35 0.582,37 6.159,38 31.633,39 12.399,40 3.033,41 3.603,42 2.733,43 14.365,44 51.511,45 1.888,46 42967,47 134,48 9.77,49 9.69,50 1769.45,51 25015.3,52 165.312,53 29.311,54 4.199,55 211.182,56 507.043,57 3.582,58 3.076,59 7.081,60 1890,61 3.676,62 4.897,63 1.944,64 1.78,65 4.191,66 1.243,67 1.737,68 1.183,69 1.243,70 5}
{0 CHEMBL1971172,1 3.153,2 1.674,3 3.393,4 1,5 10.963,6 3.612,7 3.751,8 3.994,9 2.908,10 7.663,11 3.752,12 3.92,13 0.302,14 0.012,15 31.02,16 3.88,17 3.602,18 296,19 3.93,20 407.97,21 5.656,22 3.728,23 622,24 6.629,25 16.948,26 20.406,27 109.284,28 19.93,29 8.172,30 246.856,31 338,32 15485,33 2.686,34 498.803,35 0.582,36 1,37 5.633,38 24.409,39 10.55,40 3.231,41 3.506,42 2.659,43 13.844,44 47.059,45 1.276,46 28027,47 97,48 10.685,49 9.683,50 1267.95,51 16495,52 134.581,53 26.003,54 5.345,55 202.188,56 485.1,57 3.555,58 2.823,59 6.843,60 1133,61 3.714,62 4.475,63 1.853,64 1.767,65 4.013,66 0.524,67 0.72,68 0.486,69 0.524,70 6.8}
{0 CHEMBL1971186,2 1.536,3 3.354,5 10.607,6 3.493,7 3.676,8 4.001,9 2.856,10 7.342,11 3.729,12 3.792,13 0.265,14 0.009,15 21.859,16 3.882,17 3.653,18 297,19 3.838,20 378.45,21 4.55,22 3.817,23 666,24 6.155,25 15.1,26 18.054,27 103.571,28 17.352,29 7.197,30 233.066,31 306.26,32 15405,33 2.728,34 425.191,35 0.509,37 5.667,38 25.561,39 12.066,40 2.996,41 3.521,42 2.735,43 13.382,44 37.47,45 1.419,46 27192,47 114,48 9.299,49 7.907,50 1320.41,51 16964.4,52 138.819,53 26.438,54 3.425,55 185.264,56 443.804,57 3.506,58 2.972,59 7.535,60 1300,61 3.692,62 4.582,63 1.845,64 1.745,65 4.09,66 1,67 1.421,68 1,69 1,70 5.7}
{0 CHEMBL1971223,2 2.145,3 3.642,5 13.132,6 3.882,7 4.236,8 4.29,9 3.1,10 11.483,11 4.436,12 3.786,13 0.749,14 0.014,15 47.191,16 4.434,17 4.337,18 499,19 4.313,20 513.7,21 8.318,22 4.354,23 1054,24 8.051,25 22.448,26 27.449,27 148.034,28 27.526,29 14.839,30 380.308,31 484.21,32 32675,33 3.176,34 716.1,35 0.484,37 6.321,38 45.008,39 12.64,40 3.376,41 3.861,42 3.078,43 18.062,44 67.301,45 1.808,46 51995,47 176,48 12.75,49 14.459,50 2729.14,51 45572.9,52 210.55,53 34.322,54 6.506,55 279.799,56 674.468,57 3.893,58 3.348,59 6.862,60 3122,61 3.741,62 5.3,63 1.992,64 1.784,65 4.355,66 1.323,67 1.9,68 1.276,69 1.323,70 5.3}
{0 CHEMBL1971245,2 1.873,3 3.578,5 12.531,6 3.754,7 3.725,8 4.076,9 3.028,10 8.672,11 3.851,12 3.728,13 0.243,14 0.007,15 25.672,16 3.995,17 3.77,18 401,19 3.861,20 428.55,21 5.578,22 3.898,23 889,24 7.274,25 17.771,26 22.079,27 122.951,28 20.583,29 7.258,30 294.457,31 368.81,32 22079,33 2.904,34 513.965,35 0.427,37 5.639,38 30.695,39 12.914,40 3.077,41 3.65,42 2.873,43 15.581,44 45.768,45 1.593,46 37038,47 154,48 10.492,49 9.076,50 1862.04,51 27075.8,52 168.085,53 29.87,54 4.24,55 220.577,56 529.967,57 3.648,58 3.158,59 7.066,60 1714,61 3.616,62 4.705,63 1.915,64 1.755,65 4.213,66 1.186,67 1.73,68 1.126,69 1.186,70 5}
{0 CHEMBL1971289,2 1.5,3 3.04,5 8.389,6 3.166,7 2.544,8 3.26,9 2.53,10 5.459,11 2.471,12 3.296,13 0.101,14 0.014,15 8.136,16 2.784,17 2.351,18 151,19 2.872,20 264.33,21 3.939,22 2.729,23 310,24 4.912,25 10.505,26 13.475,27 71.183,28 12.988,29 2.535,30 140.452,31 231.58,32 5281,33 2.168,34 333.37,35 0.845,37 4.644,38 12.741,39 7.962,40 2.815,41 3.066,42 2.052,43 9.005,44 31.082,45 0.58,46 9424,47 58,48 6.168,49 3.282,50 484.403,51 4567.59,52 76.672,53 18.132,54 3.072,55 130.236,56 309.535,57 3.094,58 2.184,59 6.763,60 366,61 3.261,62 3.429,63 1.508,64 1.399,65 3.61,66 -0.609,67 -0.879,68 -0.57,69 -0.609,70 5.3}
{0 CHEMBL1971430,2 1.738,3 3.497,5 11.844,6 3.684,7 3.856,8 4.204,9 2.93,10 9.799,11 4.222,12 3.775,13 0.361,14 0.01,15 36.879,16 4.315,17 4.064,18 379,19 4.06,20 425.58,21 6.672,22 4.195,23 818,24 7.003,25 18.324,26 22.501,27 127.827,28 21.79,29 13.544,30 306.811,31 408.33,32 20372,33 2.912,34 564.738,35 0.524,37 5.957,38 34.531,39 10.37,40 3.089,41 3.694,42 2.887,43 15.525,44 51.64,45 1.545,46 32707,47 154,48 10.645,49 13.13,50 1827.43,51 26395.8,52 167.036,53 29.794,54 5.088,55 233.437,56 561.346,57 3.727,58 3.081,60 1832,61 3.758,62 5.071,63 1.944,64 1.83,65 4.198,66 1.1,67 1.588,68 1.062,69 1.1,70 5.7}
{0 CHEMBL1971485,2 2.654,3 3.937,5 16.348,6 4.129,7 4.57,8 4.729,9 3.469,10 13.592,11 4.697,12 3.891,13 0.682,14 0.009,15 56.814,16 4.717,17 4.59,18 752,19 4.688,20 630.84,21 8.971,22 4.624,23 1674,24 9.237,25 26.498,26 31.813,27 183.669,28 30.36,29 18.87,30 443.88,31 543.99,32 58307,33 3.297,34 751.942,35 0.329,37 6.373,38 66.376,39 16.021,40 3.552,41 4.039,42 3.207,43 22.984,44 64.162,45 2.258,46 100271,47 288,48 16.045,49 18,50 4273.1,51 80576.7,52 269.535,53 40.096,54 6.66,55 321.388,56 775.947,57 4.064,58 3.326,59 7.535,60 5194,61 3.85,62 5.401,63 2.011,64 1.905,65 4.575,66 1.73,67 2.115,68 1.592,69 1.73,70 5.8}
{0 CHEMBL1971519,1 2.752,2 1.087,3 2.722,5 6.529,6 2.821,7 2.157,8 2.928,9 2.184,10 3.771,11 1.551,12 3.316,13 0.052,14 0.013,15 5.819,16 2.51,17 1.588,18 111,19 2.483,20 227.26,21 2.251,22 2.426,23 242,24 4.049,25 8.944,26 10.958,27 65.13,28 10.149,29 1.547,30 115.627,31 184.27,32 4023,33 2.246,34 252.452,35 0.904,37 4.751,38 8.74,39 9.606,40 2.64,41 3.042,42 2.054,43 7.86,44 23.606,45 0.342,46 7190,47 45,48 5.24,49 3.082,50 383.668,51 3360.41,52 68.555,53 16.677,54 1.638,55 114.38,56 270.847,57 3.043,58 2.137,59 6.823,60 296,61 3.208,62 2.983,63 1.543,64 1.394,65 3.586,66 -0.666,67 -0.909,68 -0.627,69 -0.666,70 4.7}
{0 CHEMBL1971534,2 0.764,3 2.432,5 4.917,6 2.431,7 0.014,8 1.982,9 1.555,10 2.736,11 0.255,12 3.162,15 1.096,16 1.172,17 0.13,18 59,19 0.472,20 178.23,21 1.716,22 0.952,23 123,24 3.196,25 6.967,26 8.906,27 47.644,28 7.528,29 0.284,30 73.059,31 136.54,32 1712,33 0.899,34 199.619,35 1.28,37 1.099,38 5.111,39 7.623,40 2.101,41 2.696,42 1.017,43 6.179,44 17.082,45 -1,46 3007,47 16,48 4.222,49 1.015,50 160.433,51 1101.24,52 41.124,53 11.872,54 1.299,55 86.801,56 203.555,57 2.749,58 1.243,59 6.843,60 76,61 2.866,62 1.02,63 1.192,64 0.952,65 3.231,66 -1.879,67 -2.61,68 -1.545,69 -1.879,70 4.6}
{0 CHEMBL1971606,2 2.071,3 3.646,5 13,6 3.813,7 3.563,8 3.67,9 3.128,10 9.364,11 3.705,12 3.709,13 0.209,14 0.008,15 22.33,16 3.824,17 3.598,18 364,19 3.604,20 378.48,21 6.648,22 3.703,23 769,24 7.438,25 15.984,26 19.062,27 107.497,28 19.879,29 8.133,30 263.784,31 355.93,32 16978,33 2.817,34 504.835,35 0.507,37 5.754,38 30.51,39 10.359,40 3.052,41 3.55,42 2.735,43 13.169,44 49.986,45 1.42,46 28428,47 134,48 9.318,49 9.137,50 1441.41,51 19838.9,52 143.389,53 27.28,54 5.111,55 202.719,56 486.395,57 3.578,58 2.555,60 1290,61 3.638,62 4.56,63 1.895,64 1.711,65 4.056,66 1,67 1.428,68 1,69 1,70 5.3}
{0 CHEMBL1971649,2 2.081,3 3.596,5 12.552,6 3.8,7 3.505,8 3.655,9 3.095,10 7.86,11 3.575,12 3.802,13 0.282,14 0.011,15 14.891,16 3.636,17 3.515,18 364,19 3.564,20 387.45,21 5.109,22 3.579,23 794,24 7.505,25 15.609,26 19.51,27 108.978,28 18.851,29 5.92,30 237.556,31 334.3,32 19677,33 2.785,34 455.109,35 0.432,37 5.493,38 29.534,39 12.16,40 3.041,41 3.546,42 2.752,43 13.597,44 45.069,45 1.601,46 35646,47 105,48 8.949,49 6.103,50 1542.67,51 21685.8,52 149.824,53 27.998,54 4.029,55 196.266,56 470.648,57 3.546,58 2.976,60 1261,61 3.766,62 4.295,63 1.931,64 1.834,65 4.104,66 1,67 1.5,68 1,69 1,70 5.5}
{0 CHEMBL1971694,2 1.368,3 3.165,5 9,6 3.269,7 3.03,8 3.478,9 2.695,10 6.664,11 3,12 3.522,13 0.134,14 0.012,15 16.417,16 3.235,17 2.881,18 171,19 3.298,20 282.38,21 4.912,22 3.129,23 349,24 5.263,25 11.336,26 13.083,27 77.64,28 14.003,29 4.505,30 154.219,31 233.81,32 6137,33 2.333,34 344.292,35 0.793,37 5.212,38 15.435,39 8.265,40 2.708,41 3.121,42 2.231,43 9.489,44 33.647,45 0.571,46 10526,47 68,48 7.114,49 4.758,50 558.94,51 5621.38,52 83.363,53 19.235,54 4.03,55 139.957,56 333.256,57 3.149,58 2.252,59 6.783,60 483,61 3.52,62 3.939,63 1.628,64 1.416,65 3.667,66 -0.514,67 -0.637,68 -0.463,69 -0.514,70 5}
{0 CHEMBL1971943,1 2.967,2 1.969,3 3.322,4 1,5 10.464,6 3.58,7 3.724,8 4.022,9 2.691,10 7.319,11 3.265,12 3.863,13 0.284,14 0.013,15 18.872,16 3.595,17 3.288,18 293,19 4.008,20 402.82,21 4.853,22 3.641,23 640,24 6.64,25 15.181,26 18.596,27 102.632,28 18.566,29 5.611,30 204.905,31 302.66,32 18375,33 2.913,34 415.142,35 0.509,36 1,37 5.98,38 26.214,39 11.772,40 3.065,41 3.444,42 2.73,43 12.869,44 42.531,45 1.902,46 36754,47 94,48 8.449,49 6.431,50 1353.15,51 17945.4,52 140.577,53 26.71,54 3.786,55 180.076,56 431.146,57 3.402,58 2.85,59 6.823,60 1158,61 3.64,62 4.319,63 1.752,64 1.696,65 4.067,66 0.894,67 1.209,68 0.799,69 0.894,70 5.7}
{0 CHEMBL1971951,2 1.149,3 3.018,5 7.955,6 3.138,7 3.139,8 3.588,9 2.431,10 6.323,11 3.375,12 3.592,13 0.185,14 0.012,15 18.889,16 3.613,17 3.249,18 175,19 3.432,20 297.4,21 4.252,22 3.497,23 372,24 5.025,25 12.327,26 15.527,27 87.283,28 14.793,29 5.219,30 191.66,31 271.79,32 7349,33 2.649,34 381.457,35 0.764,37 5.38,38 15.917,39 9.04,40 2.866,41 3.306,42 2.587,43 10.648,44 34.192,45 1.079,46 11913,47 60,48 7.427,49 6.736,50 724.987,51 7866.84,52 99.409,53 21.293,54 3.225,55 159.544,56 381.047,57 3.323,58 2.446,60 628,61 3.554,62 4.369,63 1.76,64 1.651,65 3.828,66 -0.258,67 -0.322,68 -0.253,69 -0.258,70 5.9}
{0 CHEMBL1972119,2 1.747,3 3.537,5 11.933,6 3.72,7 3.773,8 3.911,9 2.949,10 8.465,11 3.522,12 3.592,13 0.21,14 0.007,15 17.89,16 3.598,17 3.537,18 358,19 3.7,20 417.43,21 5.754,22 3.592,23 776,24 7.138,25 15.739,26 18.64,27 104.359,28 20.392,29 5.321,30 236.568,31 339.45,32 22036,33 2.842,34 458.208,35 0.473,37 6.103,38 27.227,39 11.29,40 3.228,41 3.527,42 2.704,43 13.204,44 47.179,45 1.544,46 42872,47 124,48 9.244,49 6.576,50 1618.03,51 22730.8,52 154.983,53 28.433,54 4.664,55 192.256,56 460.864,57 3.489,58 2.848,60 1416,61 3.478,62 4.423,63 1.831,64 1.627,65 4.136,66 1,67 1.384,68 0.946,69 1,70 5}
{0 CHEMBL1972125,1 3.28,2 2.31,3 3.826,4 1,5 14.714,6 4.012,7 3.897,8 4.072,9 3.258,10 10.141,11 4.088,12 3.827,13 0.28,14 0.007,15 28.325,16 4.177,17 3.981,18 515,19 3.978,20 462.59,21 6.621,22 4.072,23 1138,24 8.568,25 19.148,26 24.2,27 138.85,28 22.85,29 11.005,30 333.41,31 418.58,32 30514,33 2.964,34 573.942,35 0.357,37 5.882,38 41.54,39 13.49,40 3.259,41 3.789,42 2.889,43 17.081,44 52.463,45 1.576,46 51748,47 167,48 11.463,49 12.18,50 2387.11,51 38886.1,52 192.419,53 32.767,54 5.116,55 246.167,56 592.409,57 3.813,58 3.177,59 6.823,60 2332,61 3.815,62 4.847,63 1.99,64 1.878,65 4.296,66 1.305,67 1.872,68 1.302,69 1.305,70 5.3}
{0 CHEMBL1972142,1 3.085,2 1.814,3 3.44,4 1,5 10.88,6 3.59,7 3.317,8 3.569,9 2.923,10 6.817,11 3.548,12 3.805,13 0.212,14 0.01,15 14.699,16 3.636,17 3.438,18 272,19 3.484,20 327.41,21 4.216,22 3.556,23 605,24 6.478,25 13.568,26 17.062,27 98.166,28 15.462,29 6.138,30 208.477,31 291.57,32 11985,33 2.687,34 399.468,35 0.481,37 5.241,38 22.822,39 11.431,40 2.903,41 3.454,42 2.669,43 12.293,44 36.062,45 1.155,46 20222,47 95,48 8.152,49 6.058,50 1077.1,51 13293,52 121.867,53 24.601,54 3.407,55 174.814,56 418.306,57 3.478,58 2.495,59 6.581,60 913,61 3.803,62 4.242,63 1.854,64 1.765,65 3.969,66 1,67 1.5,68 0.97,69 1,70 7}
{0 CHEMBL1972152,2 1.179,3 2.831,5 6.944,6 2.921,7 2.558,8 2.969,9 2.308,10 3.768,11 2.576,12 3.686,13 0.029,14 0.005,15 6.05,16 2.708,17 2.433,18 125,19 2.784,20 259.31,21 2.191,22 2.662,23 286,24 4.252,25 10.145,26 12.466,27 67.481,28 10.466,29 2.628,30 124.382,31 187.27,32 4837,33 2.235,34 271.022,35 0.761,37 4.273,38 11.037,39 9.864,40 2.358,41 3.099,42 2.043,43 9.326,44 22.647,45 0.788,46 8890,47 37,48 6.703,49 2.333,50 446.927,51 4011.65,52 74.344,53 17.641,54 1.511,55 118.247,56 280.282,57 3.109,58 1.964,59 7.711,60 276,61 3.458,62 3.303,63 1.544,64 1.392,65 3.66,66 -0.268,67 -0.349,68 -0.238,69 -0.268,70 5}
{0 CHEMBL1972158,1 2.826,2 1.52,3 3.214,5 9.286,6 3.388,7 3.727,8 3.961,9 2.706,10 6.949,11 4.003,12 3.8,13 0.204,14 0.006,15 21.041,16 4.059,17 3.884,18 260,19 3.902,20 366.46,21 4.15,22 3.968,23 584,24 5.904,25 15.079,26 18.924,27 112.615,28 16.724,29 8.912,30 217.819,31 307.18,32 14325,33 2.687,34 425.182,35 0.538,37 5.61,38 24.929,39 11.966,40 2.94,41 3.55,42 2.735,43 13.793,44 37.338,45 1.346,46 24356,47 105,48 9.062,49 8.795,50 1280.79,51 16480.8,52 137.978,53 26.273,54 3.097,55 190.472,56 456.512,57 3.565,58 2.825,59 7.516,60 1316,61 3.819,62 4.65,63 1.981,64 1.872,65 4.09,66 1,67 1.5,68 1,69 1,70 6.3}
{0 CHEMBL1972183,2 1.818,3 3.346,5 10.273,6 3.531,7 3.136,8 3.403,9 2.754,10 7.528,11 3.527,12 3.723,13 0.09,14 0.005,15 19.453,16 3.669,17 3.37,18 226,19 3.366,20 296.45,21 5.203,22 3.53,23 487,24 6.307,25 13.241,26 15.2,27 89.932,28 15.204,29 6.464,30 222.574,31 293.33,32 7758,33 2.687,34 425.216,35 0.526,37 5.184,38 19.967,39 8.809,40 2.874,41 3.386,42 2.726,43 10.81,44 34.671,45 1,46 11219,47 72,48 8.12,49 7.166,50 815.692,51 9480.2,52 103.709,53 22.294,54 4.396,55 170.865,56 408.671,57 3.439,58 2.361,59 6.529,60 652,61 3.692,62 4.432,63 1.869,64 1.629,65 3.832,66 0.492,67 0.531,68 0.439,69 0.492,70 5}
{0 CHEMBL1972220,2 2.701,3 4.021,5 17.316,6 4.214,7 4.073,8 4.156,9 3.514,10 11.434,11 4.074,12 3.874,13 0.438,14 0.01,15 29.063,16 4.096,17 3.992,18 658,19 4.114,20 536.61,21 7.835,22 4.02,23 1430,24 9.628,25 20.583,26 25.424,27 142.254,28 26.04,29 11.095,30 320.413,31 430.76,32 46555,33 3.226,34 600.58,35 0.336,37 5.982,38 56.039,39 13.915,40 3.423,41 3.788,42 2.931,43 18.005,44 59.596,45 2.263,46 92278,47 238,48 12.317,49 9.575,50 2962.61,51 52098.5,52 215.764,53 35.251,54 5.961,55 251.43,56 605.249,57 3.784,58 3.252,59 7.434,60 3062,61 3.803,62 4.826,63 1.895,64 1.844,65 4.371,66 1.459,67 1.987,68 1.404,69 1.459,70 7.6}
{0 CHEMBL1972221,1 2.902,2 1.97,3 3.54,5 12.185,6 3.711,7 3.534,8 3.721,9 3.087,10 8.113,11 3.661,12 3.793,13 0.313,14 0.014,15 23.723,16 3.777,17 3.519,18 329,19 3.631,20 386.52,21 5.829,22 3.651,23 686,24 6.961,25 16.059,26 19.691,27 107.34,28 19.399,29 8.032,30 246.856,31 335.24,32 15340,33 2.728,34 477.488,35 0.556,37 5.532,38 28.837,39 10.773,40 3.218,41 3.511,42 2.735,43 13.768,44 47.198,45 1.212,46 26546,47 119,48 10.457,49 7.738,50 1302.47,51 17069.1,52 135.472,53 26.168,54 4.678,55 197.722,56 474.203,57 3.558,58 2.797,59 6.823,60 1148,61 3.741,62 4.492,63 1.885,64 1.721,65 4.018,66 0.716,67 0.992,68 0.7,69 0.716,70 5}
{0 CHEMBL1972258,2 1.69,3 3.312,5 9.895,6 3.426,7 2.835,8 3.142,9 2.76,10 7.418,11 3.055,12 3.457,13 0.074,14 0.006,15 12.685,16 3.282,17 2.935,18 188,19 3.078,20 255.35,21 5.234,22 3.167,23 388,24 5.777,25 10.697,26 13.339,27 76.477,28 13.407,29 3.95,30 168.117,31 244.85,32 5856,33 2.566,34 358.453,35 0.67,37 4.927,38 16.277,39 8.865,40 2.687,41 3.16,42 2.48,43 9.381,44 33.847,45 0.603,46 9275,47 71,48 6.243,49 4.675,50 585.798,51 6067.11,52 84.91,53 19.641,54 4.624,55 143.756,56 342.525,57 3.187,58 2.139,60 480,61 3.441,62 3.986,63 1.848,64 1.605,65 3.676,66 -0.42,67 -0.52,68 -0.408,69 -0.42,70 5.6}
{0 CHEMBL1972276,1 3.216,2 2.016,3 3.53,5 11.852,6 3.735,7 3.527,8 3.603,9 2.954,10 8.979,11 3.712,12 3.618,13 0.229,14 0.009,15 21.02,16 3.767,17 3.613,18 320,19 3.581,20 366.52,21 6.43,22 3.656,23 671,24 7.153,25 15.827,26 19.225,27 108.521,28 19.336,29 6.381,30 266.07,31 338.45,32 14061,33 2.837,34 493.554,35 0.53,37 5.512,38 29.416,39 10.707,40 3.155,41 3.509,42 2.802,43 13.118,44 47.243,45 1.277,46 21232,47 119,48 9.342,49 7.227,50 1311.08,51 17530.4,52 136.205,53 26.333,54 4.649,55 201.78,56 484.103,57 3.535,58 2.548,59 6.862,60 1208,61 3.572,62 4.523,63 1.932,64 1.726,65 4.022,66 0.618,67 0.64,68 0.6,69 0.618,70 5}
{0 CHEMBL1972290,1 3.154,2 1.24,3 3.055,4 1,5 8.4,6 3.148,7 2.825,8 3.603,9 2.504,10 5.689,11 2.988,12 3.465,13 0.084,14 0.008,15 14.026,16 3.264,17 2.833,18 168,19 3.36,20 287.78,21 3.759,22 3.14,23 361,24 4.898,25 11.484,26 14.449,27 82.243,28 13.215,29 3.746,30 166.974,31 232.71,32 6260,33 2.348,34 334.395,35 0.751,36 1,37 4.798,38 13.88,39 9.951,40 2.852,41 3.192,42 2.282,43 10.064,44 29.855,45 0.598,46 10788,47 70,48 6.695,49 4.52,50 598.064,51 5995.65,52 87.606,53 19.683,54 2.741,55 144.696,56 344.817,57 3.204,58 2.407,59 6.843,60 492,61 3.344,62 3.837,63 1.78,64 1.536,65 3.741,66 -0.391,67 -0.496,68 -0.25,69 -0.391,70 7.4}
{0 CHEMBL1972339,1 3.013,2 1.529,3 3.228,5 9.345,6 3.416,7 3.831,8 4.018,9 2.705,10 7.176,11 4.034,12 3.81,13 0.294,14 0.008,15 21.974,16 4.083,17 3.939,18 271,19 4.019,20 383.46,21 4.363,22 4.014,23 605,24 6.06,25 15.802,26 18.924,27 113.719,28 17.631,29 9.341,30 232.801,31 319.55,32 16311,33 2.765,34 439.686,35 0.532,37 5.766,38 26.904,39 12.052,40 2.956,41 3.579,42 2.735,43 13.793,44 39.251,45 1.353,46 28751,47 111,48 9.373,49 9.17,50 1386.99,51 18409,52 144.717,53 27.067,54 3.294,55 194.468,56 466.262,57 3.593,58 2.891,59 7.516,60 1485,61 3.819,62 4.698,63 1.969,64 1.868,65 4.121,66 1,67 1.5,68 1,69 1,70 6.6}
{0 CHEMBL1972346,2 1.235,3 3.039,5 8.111,6 3.172,7 2.869,8 2.901,9 2.461,10 5.121,11 2.761,12 3.257,13 0.177,14 0.015,15 8.359,16 2.964,17 2.773,18 146,19 2.984,20 244.26,21 3.551,22 2.932,23 301,24 5.069,25 9.408,26 13.121,27 68.289,28 12.482,29 3.096,30 122.452,31 220.92,32 5464,33 2.054,34 347.083,35 0.768,37 5.131,38 11.111,39 8.824,40 2.765,41 3.078,42 1.696,43 8.542,44 31.18,45 -0.047,46 10056,47 44,48 5.275,49 3.634,50 485.377,51 4711.18,52 77.35,53 18.262,54 3.263,55 125.77,56 298.638,57 3.071,58 2.372,60 336,61 3.226,62 3.687,63 1.484,64 1.315,65 3.611,66 -0.598,67 -0.711,68 -0.546,69 -0.598,70 6.3}
{0 CHEMBL1972355,1 3.139,2 1.323,3 3.039,5 8.375,6 3.163,7 3.085,8 3.737,9 2.539,10 5.476,11 3.341,12 3.52,13 0.143,14 0.009,15 12.758,16 3.55,17 3.226,18 201,19 3.469,20 322.34,21 3.408,22 3.503,23 443,24 5.011,25 13.083,26 16.845,27 88.863,28 14.937,29 5.525,30 187.911,31 271.22,32 9528,33 2.677,34 375.069,35 0.709,37 5.176,38 16.569,39 11.205,40 2.953,41 3.363,42 2.606,43 11.58,44 33.609,45 1.389,46 16947,47 70,48 7.378,49 6.805,50 873.079,51 9654.52,52 110.506,53 22.654,54 2.333,55 157.086,56 375.05,57 3.34,58 2.665,59 6.843,60 740,61 3.468,62 4.123,63 1.745,64 1.577,65 3.925,66 0.347,67 0.521,68 0.328,69 0.347,70 5.3}
{0 CHEMBL1972462,2 2.15,3 3.479,5 11.35,6 3.64,7 2.915,8 3.063,9 2.946,10 7.237,11 3.204,12 3.527,13 0.135,14 0.01,15 13.01,16 3.359,17 3.077,18 227,19 3.052,20 271.39,21 5.348,22 3.215,23 465,24 6.581,25 11.932,26 14.372,27 80.88,28 14.779,29 4.917,30 188.905,31 279.78,32 6900,33 2.473,34 408.368,35 0.594,37 5.157,38 21.64,39 8.087,40 2.792,41 3.264,42 2.512,43 9.686,44 36.897,45 0.726,46 10335,47 84,48 7.217,49 5.889,50 691.575,51 7649.48,52 92.581,53 20.855,54 4.469,55 156.276,56 373.073,57 3.317,58 2.071,60 544,61 3.568,62 4.037,63 1.933,64 1.699,65 3.713,66 -0.135,67 -0.161,68 -0.133,69 -0.135,70 5.3}
{0 CHEMBL1972489,1 2.779,2 1.335,3 3.123,5 8.632,6 3.229,7 2.947,8 3.263,9 2.55,10 4.938,11 2.903,12 3.537,13 0.107,14 0.009,15 7.634,16 3.058,17 2.807,18 164,19 3.043,20 271.72,21 3.133,22 2.972,23 359,24 5.142,25 10.608,26 13.742,27 73.883,28 12.055,29 2.964,30 132.881,31 216.86,32 6324,33 2.321,34 304.045,35 0.647,37 4.678,38 12.404,39 9.518,40 2.758,41 3.132,42 2.128,43 9.509,44 27.969,45 0.649,46 11901,47 56,48 6.105,49 3.388,50 552.086,51 5439.43,52 82.907,53 19.146,54 2.56,55 132.176,56 314.269,57 3.14,58 2.275,59 6.581,60 397,61 3.267,62 3.569,63 1.531,64 1.373,65 3.689,66 -0.35,67 -0.478,68 -0.299,69 -0.35,70 5.2}
{0 CHEMBL1972568,2 1.156,3 3.025,5 7.875,6 3.099,7 2.452,8 2.757,9 2.453,10 5.195,11 2.539,12 3.219,13 0.053,14 0.007,15 7.395,16 2.844,17 2.468,18 126,19 2.699,20 212.27,21 3.418,22 2.746,23 263,24 4.768,25 8.999,26 11.217,27 63.662,28 10.528,29 2.305,30 119.851,31 199.25,32 3675,33 2.212,34 291.893,35 0.771,37 4.47,38 9.5,39 8.538,40 2.595,41 2.977,42 2.194,43 7.881,44 26.123,45 -0.357,46 6030,47 38,48 4.955,49 3.228,50 371.909,51 3304.39,52 65.757,53 16.538,54 3.001,55 117.777,56 279.136,57 2.995,58 1.984,60 256,61 3.164,62 3.457,63 1.579,64 1.29,65 3.511,66 -0.881,67 -1.325,68 -0.859,69 -0.881,70 5.7}
{0 CHEMBL1972576,2 2.307,3 3.724,5 13.967,6 3.93,7 3.597,8 3.757,9 3.244,10 8.674,11 3.694,12 3.828,13 0.264,14 0.01,15 18.484,16 3.791,17 3.606,18 419,19 3.759,20 418.52,21 5.813,22 3.691,23 914,24 8.107,25 16.787,26 21.441,27 117.735,28 20.106,29 6.631,30 225.814,31 349.23,32 22847,33 2.841,34 484.835,35 0.397,37 5.582,38 33.333,39 11.709,40 3.289,41 3.571,42 2.735,43 14.945,44 47.503,45 1.757,46 41690,47 148,48 9.911,49 7.464,50 1709.46,51 25225.1,52 158.16,53 29.084,54 4.709,55 207.396,56 497.807,57 3.59,58 3.031,59 6.862,60 1488,61 3.818,62 4.421,63 1.839,64 1.805,65 4.135,66 1,67 1.5,68 1,69 1,70 7.3}
{0 CHEMBL1972584,2 3.175,3 4.016,4 1,5 17.341,6 4.262,7 4.243,8 4.379,9 3.519,10 11.866,11 4.478,12 3.819,13 0.453,14 0.008,15 46.394,16 4.525,17 4.356,18 763,19 4.3,20 591.79,21 7.771,22 4.414,23 1709,24 10.025,25 25.109,26 30.371,27 171.243,28 28.814,29 15.934,30 444.018,31 520.7,32 55703,33 3.206,34 723.459,35 0.286,37 6.235,38 69.483,39 14.838,40 3.458,41 4.007,42 3.054,43 21.368,44 60.48,45 2.294,46 93947,47 285,48 15.316,49 15.5,50 4031.8,51 77162.3,52 258.613,53 39.308,54 5.472,55 306.649,56 739.983,57 4.022,58 3.525,59 7.751,60 4688,61 3.791,62 5.307,63 2.021,64 1.918,65 4.53,66 1.601,67 2.265,68 1.555,69 1.601,70 5.4}
{0 CHEMBL1972659,2 1.523,3 3.425,5 11.111,6 3.589,7 3.379,8 3.614,9 2.82,10 7.438,11 3.589,12 3.559,13 0.218,14 0.009,15 16.267,16 3.579,17 3.501,18 300,19 3.445,20 358.47,21 4.848,22 3.5,23 660,24 6.643,25 15.327,26 18.803,27 107.157,28 17.601,29 6.259,30 248.856,31 337.5,32 13880,33 2.78,34 467.401,35 0.478,37 5.33,38 21.152,39 11.632,40 3.088,41 3.56,42 2.769,43 13.131,44 40.387,45 1.447,46 22648,47 87,48 9.271,49 6.824,50 1259.74,51 16472.4,52 134.696,53 26.033,54 3.548,55 194.128,56 465.432,57 3.599,58 2.83,60 1023,61 3.468,62 4.289,63 1.782,64 1.577,65 4.04,66 0.908,67 1.268,68 0.906,69 0.908,70 5}
{0 CHEMBL1972820,2 1.166,3 2.974,5 7.905,6 3.107,7 3.062,8 3.286,9 2.439,10 4.719,11 2.663,12 3.379,13 0.202,14 0.014,15 7.602,16 2.99,17 2.727,18 166,19 3.061,20 283.25,21 2.998,22 2.985,23 353,24 4.821,25 10.608,26 15.146,27 71.446,28 13.339,29 3.011,30 130.452,31 240.37,32 7707,33 2.491,34 335.29,35 0.803,37 5.716,38 14.118,39 9.389,40 2.814,41 3.181,42 2.302,43 10.003,44 32.086,45 1.261,46 15141,47 58,48 6.046,49 3.423,50 652.468,51 6646.58,52 92.758,53 20.284,54 1.988,55 132.904,56 316.047,57 3.142,58 2.596,59 7.209,60 514,61 3.222,62 3.667,63 1.367,64 1.326,65 3.776,66 -0.292,67 -0.37,68 -0.275,69 -0.292,70 5}
{0 CHEMBL1972849,2 1.333,3 3.272,5 10,6 3.404,7 3.952,8 4.151,9 2.689,10 6.693,11 3.778,12 3.831,13 0.56,14 0.014,15 21.065,16 3.918,17 3.78,18 300,19 4.061,20 410.42,21 4.207,22 3.915,23 660,24 5.927,25 16.043,26 19.303,27 104.357,28 18.859,29 7.096,30 234.574,31 307.58,32 18761,33 2.753,34 451.441,35 0.564,37 5.934,38 24.729,39 13.34,40 3.04,41 3.535,42 2.645,43 13.582,44 41.276,45 1.46,46 36140,47 114,48 9.14,49 8.318,50 1480.87,51 19490.8,52 150.141,53 27.466,54 2.936,55 187.531,56 449.336,57 3.494,58 3.122,59 7.947,60 1438,61 3.725,62 4.626,63 1.868,64 1.711,65 4.144,66 1.132,67 1.648,68 1.082,69 1.132,70 6.7}
{0 CHEMBL1972934,2 0.42,3 2.093,5 3.7,6 1.951,8 0.028,9 0.881,10 2.077,12 2.93,18 37,20 151.21,21 1.224,23 79,24 2.543,25 5.929,26 7.328,27 43.005,28 5.893,30 56.603,31 106.79,32 1010,33 0.448,34 164.021,35 1.66,38 2.4,39 7.163,40 1.747,41 2.514,42 0.503,43 5.331,44 13.24,45 -1.613,46 1644,47 10,48 3.694,50 87.805,51 561.937,52 30.339,53 9.576,54 0.855,55 73.342,56 170.714,57 2.568,58 0.563,59 6.605,60 50,61 2.748,63 1.163,64 0.843,65 3.064,66 -2,67 -3,68 -1.876,69 -2,70 4.6}
{0 CHEMBL1972937,2 1.69,3 3.309,5 9.955,6 3.447,7 3.004,8 3.599,9 2.754,10 6.711,11 3.126,12 3.759,13 0.117,14 0.008,15 11.798,16 3.299,17 3.035,18 219,19 3.347,20 310.4,21 4.493,22 3.23,23 469,24 5.904,25 12.762,26 15.717,27 89.416,28 14.73,29 4.278,30 167.362,31 278.11,32 8850,33 2.687,34 379.965,35 0.594,37 5.029,38 18.719,39 9.985,40 2.917,41 3.302,42 2.617,43 11.15,44 34.571,45 1.02,46 15302,47 72,48 7.548,49 5.248,50 796.371,51 8933.43,52 102.334,53 21.971,54 3.728,55 158.025,56 377.342,57 3.344,58 2.362,59 6.783,60 658,61 3.594,62 3.816,63 1.587,64 1.45,65 3.829,70 5}
{0 CHEMBL1972988,1 3.091,2 0.977,3 2.736,4 1,5 6.313,6 2.782,7 1.746,8 3.09,9 2.18,10 3.669,11 1.61,12 3.341,13 0.02,14 0.01,15 3.742,16 2.328,17 1.45,18 101,19 2.584,20 230.67,21 2.169,22 2.214,23 221,24 3.935,25 8.94,26 11.458,27 62.267,28 9.459,29 0.937,30 104.042,31 169.81,32 3670,33 2.084,34 245.362,35 0.905,36 1,37 3.401,38 8.031,39 9.5,40 2.533,41 2.941,42 1.686,43 8.132,44 21.717,45 0.207,46 6840,47 32,48 5.122,49 1.79,50 333.787,51 2802.14,52 63.029,53 15.827,54 1.618,55 109.124,56 258.023,57 2.932,58 2.115,59 6.843,60 244,61 3.214,62 2.333,63 1.518,64 1.376,65 3.533,66 -0.84,67 -1.258,68 -0.814,69 -0.84,70 6.1}
{0 CHEMBL1973013,2 1.247,3 2.995,5 7.778,6 3.109,7 2.989,8 3.791,9 2.489,10 5.934,11 3.127,12 3.737,13 0.094,14 0.012,15 48.898,16 3.273,17 2.822,18 140,19 3.616,20 328.27,21 4.512,22 3.069,23 286,24 4.812,25 12.762,26 14.475,27 79.918,28 13.686,29 6.46,30 137.735,31 231.93,32 4923,33 2.581,34 358.575,35 0.861,37 4.654,38 12.185,39 8.012,40 2.654,41 3.082,42 2.233,43 9.527,44 30.959,45 0.07,46 8098,47 48,48 7.138,49 5.184,50 475.7,51 4535.35,52 76.528,53 18.087,54 3.879,55 143.879,56 342.824,57 3.149,58 2.263,59 6.529,60 390,61 3.446,62 3.792,63 1.715,64 1.532,65 3.609,66 -0.798,67 -0.97,68 -0.693,69 -0.798,70 5.6}
{0 CHEMBL1973016,2 1.414,3 3.262,5 9.615,6 3.428,7 3.709,8 3.873,9 2.669,10 7.481,11 3.715,12 3.761,13 0.272,14 0.01,15 20.4,16 3.753,17 3.603,18 250,19 3.734,20 373.47,21 5.302,22 3.683,23 524,24 6.01,25 15.031,26 18.984,27 97.506,28 18.428,29 7.782,30 229.624,31 315.73,32 13272,33 2.588,34 458.26,35 0.654,37 5.778,38 21.846,39 10.494,40 3.096,41 3.455,42 2.626,43 13.292,44 44.184,45 1.401,46 23973,47 91,48 9.967,49 7.714,50 1114.09,51 13903.7,52 126.416,53 24.852,54 4.084,55 185.332,56 443.97,57 3.495,58 2.664,59 7.034,60 982,61 3.629,62 4.467,63 1.87,64 1.658,65 3.981,66 0.799,67 1.011,68 0.755,69 0.799,70 5.3}
{0 CHEMBL1973098,2 1.073,3 2.899,5 7.235,6 2.995,7 2.836,8 3.266,9 2.257,10 5.079,11 2.466,12 3.407,13 0.132,14 0.017,15 10.223,16 2.822,17 2.343,18 123,19 3.193,20 267.35,21 3.71,22 2.698,23 252,24 4.52,25 10.523,26 13.267,27 72.369,28 12.419,29 3.248,30 117.457,31 221.79,32 4792,33 2.237,34 320.121,35 0.9,37 4.891,38 10.201,39 7.841,40 2.812,41 3.004,42 1.76,43 8.793,44 28.453,45 0.836,46 9303,47 38,48 5.943,49 4.175,50 407.317,51 3699.83,52 70.246,53 17.037,54 2.8,55 124.98,56 296.711,57 3.049,58 2.191,59 6.763,60 296,61 3.102,62 3.159,63 1.484,64 1.254,65 3.554,66 -0.82,67 -1.079,68 -0.757,69 -0.82,70 5.7}
{0 CHEMBL1973138,2 2.981,3 4.041,5 17.395,6 4.258,7 4.207,8 4.378,9 3.543,10 12.644,11 4.385,12 3.869,13 0.595,14 0.011,15 44.044,16 4.46,17 4.296,18 748,19 4.341,20 579.76,21 8.93,22 4.385,23 1611,24 9.965,25 25.231,26 30.725,27 169.844,28 30.37,29 14.088,30 428.96,31 555.46,32 51965,33 3.159,34 768.498,35 0.348,37 6.341,38 66.74,39 12.742,40 3.491,41 3.976,42 3.038,43 20.507,44 71.686,45 2.172,46 85699,47 268,48 14.337,49 14.546,50 3844.96,51 72866.2,52 251.569,53 38.668,54 6.943,55 308.916,56 745.515,57 4,58 3.435,60 4409,61 3.8,62 5.238,63 1.97,64 1.865,65 4.484,66 1.477,67 2.05,68 1.45,69 1.477,70 5.3}
{0 CHEMBL1973142,2 0.87,3 2.58,5 5.833,6 2.701,7 1.018,8 3.699,9 1.907,10 5.032,11 1.894,12 3.477,15 17.857,16 2.765,17 1.491,18 105,19 3.054,20 303.18,21 3.798,22 2.613,23 210,24 3.975,25 11.541,26 14.801,27 72.492,28 13.584,29 3.168,30 115.457,31 225.01,32 5134,33 2.243,34 321.25,35 1.223,37 3.862,38 10.679,39 8.542,40 2.872,41 3.053,42 1.879,43 9.399,44 30.543,45 0.569,46 10432,47 38,48 6.466,49 4.385,50 413.317,51 3897.69,52 73.652,53 17.301,54 2.487,55 133.313,56 317.043,57 3.099,58 2.25,59 7.066,60 344,61 3.277,62 3.079,63 1.521,64 1.391,65 3.604,66 -1,67 -1.165,68 -0.914,69 -1,70 6.1}
{0 CHEMBL1973145,2 2.041,3 3.569,5 12.429,6 3.772,7 3.469,8 3.657,9 3.098,10 7.639,11 3.573,12 3.802,13 0.205,14 0.009,15 15.632,16 3.59,17 3.462,18 348,19 3.508,20 390.51,21 5.048,22 3.514,23 760,24 7.329,25 15.878,26 20.027,27 114.23,28 18.504,29 6.358,30 230.574,31 325.78,32 17682,33 2.793,34 451.81,35 0.44,37 5.33,38 28.143,39 11.807,40 3.047,41 3.527,42 2.735,43 13.945,44 42.795,45 1.286,46 31423,47 106,48 9.427,49 5.53,50 1425.72,51 19446,52 142.903,53 27.174,54 4.046,55 196.735,56 471.794,57 3.555,58 2.936,59 6.862,60 1116,61 3.76,62 4.254,63 1.785,64 1.752,65 4.07,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL1973211,2 2.684,3 3.867,5 15.314,6 4.093,7 4.024,8 4.052,9 3.386,10 10.577,11 4.184,12 3.806,13 0.36,14 0.009,15 32.234,16 4.142,17 4.04,18 536,19 4.03,20 481.67,21 7.103,22 4.039,23 1177,24 8.93,25 20.414,26 24.554,27 145.456,28 23.505,29 12.194,30 325.65,31 435.54,32 30778,33 2.983,34 590.944,35 0.35,37 5.773,38 50.743,39 13.447,40 3.382,41 3.796,42 2.985,43 17.518,44 52.515,45 2.064,46 50714,47 177,48 12.566,49 9.509,50 2435.55,51 40111.1,52 193.334,53 33.004,54 5.544,55 253.432,56 610.133,57 3.844,58 3.202,59 7.31,60 2515,61 3.788,62 4.815,63 1.89,64 1.841,65 4.295,66 1.184,67 1.73,68 1.179,69 1.184,70 6.1}
{0 CHEMBL1973348,1 3.277,2 2.352,3 3.842,4 1,5 14.833,6 4.04,7 4.021,8 4.165,9 3.274,10 10.546,11 4.132,12 3.926,13 0.35,14 0.009,15 31.886,16 4.215,17 4.023,18 534,19 4.138,20 497.03,21 7.053,22 4.114,23 1175,24 8.734,25 20.204,26 25.57,27 143.655,28 24.076,29 11.436,30 347.02,31 433.79,32 34448,33 3.06,34 595.344,35 0.356,37 5.934,38 43.704,39 13.624,40 3.374,41 3.808,42 2.891,43 17.763,44 54.72,45 1.906,46 61089,47 178,48 11.941,49 12.559,50 2545.26,51 42345.5,52 199.635,53 33.51,54 5.468,55 254.5,56 612.741,57 3.832,58 3.198,59 6.823,60 2550,61 3.827,62 4.859,63 1.961,64 1.873,65 4.321,66 1.459,67 2.022,68 1.385,69 1.459,70 5}
{0 CHEMBL1973359,2 1.45,3 3.116,5 8.55,6 3.238,7 2.85,8 3.253,9 2.546,10 4.559,11 2.417,12 3.519,13 0.123,14 0.01,15 4.298,16 2.774,17 2.514,18 171,19 2.966,20 272.24,21 2.857,22 2.795,23 363,24 5.162,25 10.016,26 14.276,27 66.839,28 12.536,29 1.692,30 130.606,31 204.42,32 7638,33 2.108,34 291.496,35 0.701,37 5.012,38 14.92,39 10.01,40 2.723,41 3.069,42 1.888,43 9.542,44 30.054,45 1,46 15470,47 54,48 5.576,49 2.565,50 615.186,51 6193.19,52 88.332,53 19.788,54 2.235,55 123.441,56 292.957,57 2.999,58 2.441,59 7.424,60 452,61 3.318,62 3.327,63 1.569,64 1.523,65 3.731,66 -0.634,67 -0.865,68 -0.601,69 -0.634,70 6.4}
{0 CHEMBL1973483,2 1.776,3 3.441,5 11.179,6 3.661,7 3.508,8 3.77,9 2.856,10 7.197,11 3.271,12 3.598,13 0.32,14 0.013,15 10.27,16 3.273,17 3.326,18 313,19 3.797,20 400.31,21 5.077,22 3.377,23 654,24 6.879,25 13.689,26 15.527,27 86.145,28 19.753,29 4.773,30 187.911,31 298.33,32 21483,33 2.641,34 389.587,35 0.566,37 5.595,38 25.878,39 10.73,40 3.115,41 3.373,42 2.545,43 10.614,44 49.865,45 1.499,46 48835,47 90,48 7.621,49 4.192,50 1383.78,51 18549.2,52 141.54,53 26.806,54 4.655,55 163.676,56 391.13,57 3.292,58 2.843,60 1194,61 3.443,62 4.1,63 1.638,64 1.522,65 4.047,66 0.913,67 1.301,68 0.883,69 0.913,70 5.5}
{0 CHEMBL1973516,1 2.928,2 2.303,3 3.809,5 14.667,6 3.991,7 3.855,8 3.917,9 3.283,10 9.557,11 3.91,12 3.811,13 0.302,14 0.008,15 21.899,16 3.95,17 3.846,18 484,19 3.898,20 439.58,21 6.185,22 3.891,23 1075,24 8.363,25 18.415,26 22.623,27 130.934,28 21.357,29 7.209,30 297.398,31 385.68,32 26282,33 2.87,34 539.975,35 0.36,37 5.735,38 40.602,39 12.541,40 3.233,41 3.685,42 2.941,43 16.212,44 48.096,45 1.619,46 43720,47 187,48 11.033,49 7.174,50 2107.08,51 32892.5,52 178.405,53 31.309,54 4.813,55 230.04,56 553.056,57 3.691,58 3.192,59 6.581,60 2065,61 3.688,62 4.641,63 1.933,64 1.764,65 4.244,66 1.093,67 1.623,68 1.05,69 1.093,70 5.3}
{0 CHEMBL1973720,1 3.163,2 1.465,3 3.289,4 1,5 9.958,6 3.408,7 3.421,8 3.859,9 2.736,10 6.575,11 3.564,12 3.736,13 0.218,14 0.011,15 21.267,16 3.674,17 3.425,18 239,19 3.713,20 342.87,21 4.293,22 3.555,23 530,24 5.772,25 13.923,26 17.018,27 96.714,28 15.67,29 6.068,30 203.329,31 283.25,32 10055,33 2.785,34 405.628,35 0.56,36 1,37 5.204,38 18.833,39 10.598,40 3.047,41 3.407,42 2.625,43 11.975,44 33.843,45 1.037,46 16747,47 90,48 8.558,49 6.426,50 940.624,51 10888.1,52 113.484,53 23.316,54 3.356,55 172.874,56 413.571,57 3.427,58 2.681,59 6.843,60 776,61 3.607,62 4.273,63 1.79,64 1.72,65 3.929,66 0.489,67 0.721,68 0.458,69 0.489,70 7.7}
{0 CHEMBL1973793,2 1.456,3 3.254,5 9.577,6 3.409,7 3.859,8 3.833,9 2.687,10 6.454,11 3.531,12 4.049,13 0.294,14 0.012,15 24.143,16 3.58,17 3.416,18 249,19 3.905,20 429.31,21 4.252,22 3.485,23 545,24 5.868,25 15.75,26 19.561,27 105.355,28 17.132,29 6.767,30 190.621,31 314.88,32 13757,33 2.613,34 425.115,35 0.58,37 5.582,38 20.58,39 11.153,40 3.212,41 3.479,42 2.655,43 13.891,44 38.029,45 1.37,46 26492,47 82,48 10.017,49 6.625,50 1107.94,51 13437.3,52 125.595,53 24.737,54 3.032,55 182.799,56 437.791,57 3.528,58 2.952,59 7.235,60 898,61 3.664,62 4.085,63 1.917,64 1.828,65 3.999,66 1,67 1.469,68 0.977,69 1,70 5.4}
{0 CHEMBL1973808,1 2.861,2 1.335,3 3.123,5 8.632,6 3.229,7 2.944,8 3.254,9 2.55,10 4.938,11 2.93,12 3.535,13 0.107,14 0.009,15 7.171,16 3.069,17 2.82,18 164,19 3.051,20 271.72,21 3.133,22 2.982,23 359,24 5.142,25 10.608,26 13.742,27 74.133,28 12.055,29 3.065,30 132.881,31 216.86,32 6345,33 2.233,34 304.045,35 0.647,37 4.614,38 12.404,39 9.518,40 2.785,41 3.132,42 2.053,43 9.509,44 27.969,45 0.649,46 11992,47 56,48 6.101,49 3.359,50 552.086,51 5439.43,52 82.907,53 19.146,54 2.56,55 132.176,56 314.269,57 3.14,58 2.275,59 6.581,60 397,61 3.25,62 3.552,63 1.465,64 1.313,65 3.689,66 -0.35,67 -0.478,68 -0.302,69 -0.35,70 6}
{0 CHEMBL1973860,2 1.396,3 3.107,5 8.526,6 3.201,7 2.915,8 3.224,9 2.55,10 5.574,11 2.931,12 3.485,13 0.074,14 0.007,15 12.238,16 3.211,17 2.782,18 162,19 3.096,20 270.38,21 3.645,22 3.055,23 350,24 5.015,25 11.152,26 13.433,27 81.244,28 12.425,29 3.858,30 162.465,31 229.1,32 5618,33 2.351,34 337.688,35 0.698,37 4.74,38 14.476,39 9.698,40 2.711,41 3.206,42 2.362,43 9.865,44 27.849,45 0.618,46 9620,47 66,48 7.081,49 4.9,50 547.397,51 5331.39,52 82.393,53 19.033,54 2.71,55 140.699,56 335.066,57 3.267,58 2.338,59 6.293,60 422,61 3.387,62 3.764,63 1.647,64 1.467,65 3.695,66 -0.392,67 -0.512,68 -0.368,69 -0.392,70 6.4}
{0 CHEMBL1973868,2 1.08,3 2.893,5 7.118,6 2.951,7 2.241,8 2.836,9 2.278,10 3.965,11 2.248,12 3.349,13 0.053,14 0.009,15 5.231,16 2.654,17 2.203,18 121,19 2.617,20 222.26,21 2.319,22 2.602,23 265,24 4.335,25 9.038,26 11.665,27 64.653,28 9.943,29 1.732,30 120.382,31 190.65,32 4061,33 2.158,34 277.282,35 0.796,37 4.458,38 9.723,39 9.814,40 2.687,41 3.059,42 2.148,43 8.326,44 23.728,45 0.049,46 7013,47 38,48 5.32,49 2.385,50 401.331,51 3541.97,52 69.503,53 16.959,54 1.884,55 117.049,56 277.359,57 3.071,58 2.122,60 267,61 3.302,62 3.184,63 1.541,64 1.39,65 3.592,66 -0.815,67 -1.186,68 -0.794,69 -0.815,70 6}
{0 CHEMBL1973893,1 2.878,2 1.917,3 3.474,5 11.577,6 3.652,7 3.46,8 3.634,9 2.93,10 7.481,11 3.534,12 3.793,13 0.293,14 0.014,15 20.823,16 3.663,17 3.404,18 301,19 3.554,20 372.49,21 5.302,22 3.54,23 631,24 6.729,25 15.352,26 18.984,27 102.713,28 18.428,29 6.974,30 227.819,31 317.94,32 14126,33 2.687,34 451.412,35 0.566,37 5.453,38 26.592,39 10.692,40 3.206,41 3.464,42 2.735,43 13.23,44 44.567,45 1.211,46 25047,47 110,48 9.896,49 7.121,50 1186.99,51 15079.6,52 128.583,53 25.305,54 4.442,55 188.13,56 450.797,57 3.506,58 2.749,59 6.823,60 1006,61 3.74,62 4.358,63 1.88,64 1.721,65 3.981,66 0.685,67 0.975,68 0.672,69 0.685,70 5}
{0 CHEMBL1973937,1 2.851,2 1.944,3 3.502,5 11.929,6 3.726,7 3.698,8 3.962,9 2.918,10 7.757,11 3.585,12 3.83,13 0.24,14 0.01,15 17.759,16 3.695,17 3.454,18 334,19 3.595,20 436.34,21 5.178,22 3.561,23 730,24 7.199,25 16.67,26 20.673,27 114.011,28 18.689,29 6.894,30 229.819,31 332.85,32 17717,33 2.725,34 459.402,35 0.45,37 5.29,38 27.214,39 11.728,40 3.325,41 3.535,42 2.735,43 14.085,44 42.765,45 1.428,46 32138,47 106,48 9.475,49 7.647,50 1408.38,51 19168,52 142.501,53 27.089,54 3.973,55 200.316,56 480.532,57 3.558,58 3.04,59 6.843,60 1102,61 3.768,62 4.287,63 1.911,64 1.796,65 4.07,66 1,67 1.5,68 1,69 1,70 5.8}
{0 CHEMBL1973961,1 2.873,2 2.367,3 3.811,5 14.611,6 4.001,7 4.072,8 4.179,9 3.266,10 10.353,11 4.1,12 3.875,13 0.549,14 0.012,15 33.211,16 4.172,17 4.05,18 526,19 4.19,20 491.59,21 7.013,22 4.137,23 1152,24 8.442,25 20.146,26 23.493,27 135.444,28 24.386,29 10.6,30 337.059,31 425.94,32 33688,33 2.953,34 581,35 0.381,37 6.109,38 45.602,39 12.736,40 3.223,41 3.775,42 2.941,43 16.602,44 54.616,45 2.126,46 59849,47 192,48 11.743,49 11.218,50 2520.35,51 41039,52 198.391,53 33.288,54 5.44,55 244.956,56 589.452,57 3.776,58 3.232,59 6.823,60 2506,61 3.82,62 4.983,63 1.918,64 1.832,65 4.32,66 1.463,67 1.865,68 1.383,69 1.463,70 5.3}
{0 CHEMBL1974094,2 1.265,3 3.053,4 1,5 8.429,6 3.144,7 2.959,8 3.387,9 2.498,10 4.672,11 3.024,12 3.656,13 0.141,14 0.012,15 8.032,16 3.22,17 2.904,18 177,19 3.253,20 294.75,21 2.79,22 3.139,23 396,24 4.872,25 11.763,26 14.897,27 82.507,28 12.539,29 3.406,30 146,31 242.76,32 7239,33 2.665,34 319.095,35 0.68,37 4.768,38 14.249,39 10.687,40 2.709,41 3.274,42 2.581,43 10.509,44 27.953,45 1,46 13272,47 66,48 6.991,49 3.831,50 660.157,51 6684.87,52 92.888,53 20.384,54 2.03,55 143.838,56 342.724,57 3.291,58 2.432,59 6.88,60 463,61 3.587,62 3.667,63 1.588,64 1.49,65 3.805,66 -0.1,67 -0.128,68 -0.087,69 -0.1,70 5.8}
{0 CHEMBL1974157,2 1.595,3 3.318,5 10.045,6 3.461,7 3.132,8 3.422,9 2.754,10 7.302,11 3.186,12 3.612,13 0.123,14 0.007,15 11.133,16 3.269,17 3.121,18 221,19 3.371,20 294.33,21 5.184,22 3.258,23 456,24 5.992,25 11.653,26 15.949,27 82.833,28 15.619,29 4.053,30 169.362,31 278.11,32 9247,33 2.687,34 407.319,35 0.703,37 5.525,38 18.182,39 8.776,40 2.82,41 3.254,42 2.644,43 10.597,44 42.323,45 1.058,46 16567,47 74,48 6.558,49 4.076,50 799.428,51 9116.16,52 102.791,53 22.065,54 4.365,55 155.357,56 370.831,57 3.258,58 2.372,60 704,61 3.501,62 3.965,63 1.658,64 1.568,65 3.806,66 0.04,67 0.057,68 0.037,69 0.04,70 5.1}
{0 CHEMBL1974250,2 1.716,3 3.391,5 10.692,6 3.533,7 3.449,8 3.767,9 2.888,10 6.944,11 3.454,12 3.778,13 0.167,14 0.007,15 15.086,16 3.582,17 3.418,18 278,19 3.653,20 345.39,21 4.339,22 3.573,23 610,24 6.25,25 13.702,26 17.933,27 95.099,28 16.246,29 4.843,30 198.905,31 287.76,32 13425,33 2.687,34 414.053,35 0.532,37 5.495,38 24.562,39 11.387,40 2.913,41 3.422,42 2.723,43 12.72,44 38.014,45 1.235,46 23941,47 103,48 8.025,49 5.133,50 1148.12,51 14241.9,52 127.031,53 25.136,54 3.307,55 173.214,56 414.402,57 3.411,58 2.756,59 6.862,60 1048,61 3.709,62 4.291,63 1.769,64 1.692,65 4.004,66 1,67 1.5,68 0.983,69 1,70 7}
{0 CHEMBL1974254,2 2.4,3 3.905,5 16,6 4.086,7 3.839,8 4.066,9 3.401,10 10.06,11 3.979,12 3.859,13 0.3,14 0.009,15 24.197,16 4.049,17 3.871,18 560,19 3.941,20 484.63,21 6.706,22 3.946,23 1233,24 8.871,25 20.096,26 24.717,27 140.7,28 23.332,29 9.487,30 307.566,31 409.83,32 32432,33 3.034,34 572.825,35 0.352,37 5.729,38 45.788,39 13.568,40 3.403,41 3.755,42 2.94,43 17.466,44 52.663,45 1.879,46 56995,47 223,48 11.955,49 9.791,50 2430.92,51 39651.1,52 193.016,53 32.867,54 5.016,55 245.037,56 589.651,57 3.781,58 3.19,59 7.424,60 2349,61 3.801,62 4.706,63 1.893,64 1.844,65 4.294,66 1.104,67 1.578,68 1.005,69 1.104,70 7.2}
{0 CHEMBL1974288,2 1.778,3 3.414,5 10.833,6 3.562,7 3.158,8 3.477,9 2.872,10 7.646,11 3.37,12 3.685,13 0.156,14 0.009,15 14.042,16 3.506,17 3.272,18 260,19 3.346,20 318.4,21 5.119,22 3.421,23 556,24 6.366,25 13.093,26 16.778,27 93.09,28 16.067,29 5.385,30 193.722,31 297.96,32 10844,33 2.687,34 430.743,35 0.561,37 5.269,38 22.139,39 9.757,40 2.687,41 3.403,42 2.735,43 11.775,44 39.431,45 1,46 18364,47 84,48 7.748,49 6.299,50 982.977,51 11830.3,52 115.532,53 23.782,54 3.95,55 172.744,56 413.256,57 3.431,58 2.391,60 808,61 3.638,62 4.145,63 1.838,64 1.717,65 3.913,66 1,67 1.355,68 0.973,69 1,70 5.7}
{0 CHEMBL1974310,2 1.175,3 2.951,5 7.684,6 3.038,7 2.744,8 3.367,9 2.42,10 4.614,11 2.252,12 3.469,13 0.121,14 0.015,15 7.01,16 2.875,17 2.31,18 146,19 2.986,20 272.32,21 2.937,22 2.794,23 312,24 4.575,25 10.577,26 12.889,27 72.996,28 12.092,29 2.555,30 124.606,31 215.23,32 5949,33 2.25,34 293.813,35 0.814,37 4.933,38 12.188,39 9.942,40 2.687,41 3.146,42 2.074,43 9.162,44 27.698,45 0.608,46 11490,47 55,48 6.399,49 4.057,50 519.437,51 4946.57,52 80.946,53 18.624,54 2.185,55 129.378,56 307.442,57 3.182,58 2.403,59 6.862,60 405,61 3.298,62 3.319,63 1.538,64 1.534,65 3.688,66 -0.628,67 -0.85,68 -0.564,69 -0.628,70 5.9}
{0 CHEMBL1974328,2 1.462,3 3.233,5 9.48,6 3.401,7 3.556,8 3.771,9 2.668,10 7.809,11 3.752,12 3.708,13 0.312,14 0.012,15 23,16 3.78,17 3.652,18 237,19 3.677,20 340.48,21 5.512,22 3.717,23 501,24 5.908,25 14.327,26 17.811,27 98.333,28 17.648,29 6.804,30 248.366,31 317.39,32 10395,33 2.844,34 456.387,35 0.648,37 5.642,38 21.414,39 9.238,40 3.01,41 3.442,42 2.821,43 12.025,44 41.558,45 1.407,46 16018,47 81,48 8.554,49 5.892,50 1020.17,51 12470.9,52 120.143,53 24.154,54 4.469,55 185.523,56 444.435,57 3.465,58 2.632,60 966,61 3.64,62 4.603,63 1.805,64 1.731,65 3.948,66 0.229,67 0.252,68 0.217,69 0.229,70 7.3}
{0 CHEMBL1974416,1 3.082,2 1.556,3 3.355,4 1,5 10.231,6 3.495,7 3.446,8 3.634,9 2.749,10 6.604,11 3.371,12 3.753,13 0.267,14 0.011,15 12.146,16 3.514,17 3.357,18 266,19 3.6,20 349.36,21 4.136,22 3.496,23 582,24 6.166,25 13.462,26 16.355,27 93.764,28 16.283,29 4.933,30 189.376,31 286.41,32 14094,33 2.687,34 379.059,35 0.533,37 5.488,38 21.183,39 11.607,40 2.873,41 3.429,42 2.73,43 11.81,44 38.056,45 1.341,46 26623,47 87,48 7.912,49 5.581,50 1135.97,51 14074.5,52 126.83,53 24.999,54 3.074,55 167.618,56 400.748,57 3.418,58 2.712,59 6.843,60 954,61 3.745,62 4.127,63 1.892,64 1.803,65 4.002,66 1,67 1.5,68 1,69 1,70 6.8}
{0 CHEMBL1974574,2 0.975,3 2.802,5 6.895,6 2.884,7 2.03,8 3.234,9 2.234,10 4.408,11 2.555,12 3.437,13 0.037,14 0.009,15 9.47,16 3.031,17 2.375,18 131,19 2.87,20 253.28,21 2.725,22 2.926,23 281,24 4.264,25 9.946,26 13.405,27 71.834,28 11.748,29 3.011,30 131.697,31 210.44,32 5162,33 2.243,34 303.041,35 0.915,37 4.724,38 11.767,39 9.859,40 2.69,41 3.124,42 2.081,43 9.165,44 27.52,45 0.715,46 8985,47 46,48 5.736,49 4.193,50 493.093,51 4704.66,52 79.927,53 18.408,54 1.96,55 127.839,56 303.688,57 3.113,58 2.437,59 7.066,60 390,61 3.296,62 3.62,63 1.484,64 1.417,65 3.688,66 -0.506,67 -0.662,68 -0.487,69 -0.506,70 5.3}
{0 CHEMBL1974617,1 2.878,2 1.078,3 2.863,5 7.063,6 2.924,7 1.934,8 2.814,9 2.281,10 3.647,11 1.993,12 3.245,13 0.052,14 0.013,15 4.712,16 2.427,17 1.915,18 113,19 2.497,20 215.23,21 2.148,22 2.396,23 249,24 4.229,25 8.344,26 10.958,27 58.973,28 9.423,29 1.517,30 114.096,31 163.82,32 3728,33 2.024,34 250.798,35 0.803,37 4.085,38 8.781,39 9.197,40 2.202,41 2.947,42 1.796,43 7.865,44 21.873,45 0.39,46 6753,47 42,48 4.866,49 1.998,50 350.821,51 2951.09,52 63.894,53 16.053,54 1.606,55 104.917,56 247.757,57 2.92,58 2.018,59 7.273,60 244,61 3.147,62 3.01,63 1.465,64 1.312,65 3.53,66 -0.913,67 -1.335,68 -0.894,69 -0.913,70 4.7}
{0 CHEMBL1974664,1 3.331,2 1.55,3 3.45,4 1,5 11.154,6 3.605,7 3.354,8 3.459,9 2.855,10 7.119,11 3.365,12 3.604,13 0.237,14 0.01,15 11.588,16 3.423,17 3.332,18 290,19 3.338,20 347.41,21 4.522,22 3.347,23 639,24 6.649,25 14.354,26 17.933,27 101.44,28 16.517,29 3.832,30 211.82,31 290.4,32 13799,33 2.807,34 414.246,35 0.472,37 5.129,38 21.775,39 12.598,40 3.051,41 3.429,42 2.788,43 12.796,44 38.281,45 1.324,46 24114,47 98,48 8.024,49 5.225,50 1171.55,51 14963.8,52 128.512,53 25.306,54 3.157,55 176.141,56 421.545,57 3.414,58 2.562,59 7.066,60 950,61 3.519,62 4.059,63 1.839,64 1.785,65 4.007,66 0.703,67 0.84,68 0.631,69 0.703,70 6.3}
{0 CHEMBL1974702,2 0.851,3 2.544,5 5.529,6 2.598,7 1.111,8 3.83,9 1.933,10 3.954,11 1.597,12 3.768,15 24.171,16 2.184,17 1.188,18 94,19 2.353,20 330.59,21 2.67,22 1.947,23 201,24 3.65,25 11.741,26 14.008,27 70.518,28 11.478,29 2.23,30 93.353,31 205.72,32 4375,33 2.117,34 281.94,35 1.088,37 3.008,38 8.394,39 9.279,40 2.949,41 3.032,42 1.732,43 9.35,44 23.446,45 0.822,46 8994,47 31,48 6.744,49 1.995,50 353.292,51 3098.75,52 67.121,53 16.233,54 1.691,55 122.706,56 291.163,57 3.081,58 2.276,59 7.096,60 233,61 3.19,62 2.374,63 1.389,64 1.252,65 3.579,66 -1,67 -1.179,68 -0.529,69 -1,70 5}
{0 CHEMBL1974803,2 0.88,3 2.793,5 7.045,6 2.892,7 2.841,8 4.169,9 2.17,10 5.663,11 2.58,12 3.662,13 0.082,14 0.016,15 17.67,16 3.272,17 2.351,18 155,19 3.844,20 356.59,21 3.987,22 3.157,23 326,24 4.406,25 13.091,26 17.516,27 85.665,28 15.491,29 3.564,30 145.207,31 271.06,32 8627,33 2.518,34 379.725,35 0.952,37 4.658,38 12.909,39 9.643,40 2.976,41 3.251,42 2.271,43 11.246,44 33.983,45 1.055,46 18384,47 58,48 7.245,49 5.6,50 667.979,51 7047.63,52 96.95,53 20.658,54 2.686,55 152.838,56 364.684,57 3.251,58 2.853,60 604,61 3.365,62 3.394,63 1.464,64 1.407,65 3.818,66 -0.209,67 -0.271,68 -0.188,69 -0.209,70 5}
{0 CHEMBL1974875,2 0.806,3 2.409,5 4.929,6 2.448,7 0.021,8 2.44,9 1.835,10 3.669,11 0.361,12 3.329,15 1.552,16 1.227,17 0.189,18 69,19 0.691,20 212.25,21 2.519,22 1.118,23 141,24 3.332,25 7.98,26 10.483,27 53.353,28 9.614,29 0.298,30 90.107,31 167.66,32 2540,33 1.775,34 243.904,35 1.328,37 1.386,38 6.02,39 6.988,40 2.151,41 2.801,42 1.361,43 7.153,44 21.092,45 -0.198,46 4777,47 23,48 4.947,49 1.047,50 222.757,51 1737.56,52 51.108,53 13.622,54 1.682,55 97.721,56 230.199,57 2.816,58 1.721,59 7.018,60 156,61 3.012,62 1.298,63 1.362,64 1.395,65 3.374,66 -1.356,67 -1.81,68 -1.253,69 -1.356,70 4.5}
{0 CHEMBL1974935,1 3.284,2 2.143,3 3.676,4 1,5 13.214,6 3.863,7 3.508,8 3.671,9 3.098,10 8.723,11 3.686,12 3.76,13 0.153,14 0.006,15 19.871,16 3.806,17 3.592,18 370,19 3.615,20 370.49,21 5.691,22 3.699,23 815,24 7.753,25 15.454,26 19.184,27 111.736,28 18.268,29 7.08,30 264.193,31 337.17,32 17454,33 2.749,34 475.072,35 0.395,37 5.457,38 29.531,39 12.077,40 3.164,41 3.565,42 2.735,43 13.776,44 42.751,45 1.312,46 29213,47 120,48 9.243,49 8.59,50 1460.24,51 20652.7,52 144.615,53 27.561,54 4.801,55 200.793,56 481.694,57 3.59,58 2.802,59 6.823,60 1294,61 3.702,62 4.478,63 1.905,64 1.782,65 4.077,66 1,67 1.5,68 0.983,69 1,70 6.4}
{0 CHEMBL1974998,2 2.102,3 3.671,5 13.595,6 3.868,7 4.195,8 4.254,9 3.189,10 10.964,11 4.355,12 3.787,13 0.684,14 0.013,15 41.188,16 4.349,17 4.275,18 503,19 4.264,20 494.65,21 7.734,22 4.279,23 1067,24 7.903,25 21.448,26 26.579,27 142.988,28 26.099,29 12.842,30 345.634,31 463.84,32 31666,33 3.217,34 666.265,35 0.489,37 6.269,38 43.308,39 12.698,40 3.374,41 3.809,42 3.083,43 17.668,44 64.556,45 2.134,46 52564,47 213,48 12.063,49 12.887,50 2576.19,51 42006.4,52 203.259,53 33.601,54 6.06,55 267.149,56 643.605,57 3.835,58 3.173,59 6.862,60 2900,61 3.74,62 5.181,63 1.992,64 1.784,65 4.331,66 1.324,67 1.9,68 1.276,69 1.324,70 5.3}
{0 CHEMBL1975121,2 1.898,3 3.508,5 11.56,6 3.654,7 3.297,8 3.483,9 2.953,10 7.845,11 3.473,12 3.688,13 0.185,14 0.009,15 17.188,16 3.611,17 3.374,18 289,19 3.406,20 332.43,21 5.344,22 3.498,23 616,24 6.73,25 14.269,26 17.648,27 98.009,28 17.032,29 6.476,30 217.624,31 315.26,32 12126,33 2.687,34 449.848,35 0.534,37 5.357,38 23.984,39 9.985,40 2.988,41 3.446,42 2.735,43 12.169,44 42.023,45 1.125,46 20125,47 92,48 8.124,49 7.241,50 1096.32,51 13714.9,52 122.669,53 24.719,54 4.185,55 182.337,56 436.661,57 3.476,58 2.497,60 923,61 3.638,62 4.305,63 1.838,64 1.717,65 3.949,66 0.882,67 1.187,68 0.885,69 0.882,70 5.15}
{0 CHEMBL1975128,1 2.792,2 1.679,3 3.213,5 9.391,6 3.384,7 3.049,8 4.287,9 2.682,10 5.939,11 3.279,12 3.871,13 0.056,14 0.004,15 37.111,16 3.527,17 3.077,18 216,19 4.284,20 416.25,21 3.785,22 3.324,23 482,24 5.699,25 14.228,26 17.311,27 99.612,28 14.656,29 6.35,30 171.362,31 259.84,32 9751,33 2.687,34 371.016,35 0.56,37 4.724,38 18.805,39 11.225,40 2.933,41 3.335,42 2.647,43 12.086,44 31.934,45 1.165,46 17531,47 77,48 8.169,49 6.614,50 856.222,51 9617.2,52 107.277,53 22.538,54 2.724,55 166.678,56 398.455,57 3.384,58 2.503,59 7.496,60 694,61 3.8,62 3.779,63 1.559,64 1.456,65 3.887,66 0.669,67 0.952,68 0.631,69 0.669,70 6.3}
{0 CHEMBL1975138,2 1.571,3 3.414,5 11.214,6 3.598,7 3.726,8 3.974,9 2.843,10 8.931,11 3.74,12 3.765,13 0.276,14 0.01,15 24.021,16 3.852,17 3.601,18 314,19 3.877,20 395.49,21 6.365,22 3.722,23 666,24 6.612,25 15.541,26 19.615,27 109.528,28 19.955,29 8.522,30 202.574,31 348.2,32 16842,33 2.687,34 502.469,35 0.597,37 5.635,38 26.306,39 8.906,40 2.914,41 3.507,42 2.735,43 13.392,44 49.629,45 1.27,46 30915,47 130,48 8.872,49 9.4,50 1360,51 18069.2,52 140.664,53 26.797,54 4.745,55 198.533,56 476.179,57 3.526,58 2.826,60 1320,61 3.753,62 4.42,63 1.961,64 1.824,65 4.053,66 1,67 1.5,68 1,69 1,70 5.4}
{0 CHEMBL1975208,2 1.645,3 3.256,5 9.88,6 3.414,7 3.321,8 3.694,9 2.759,10 6.543,11 3.263,12 3.544,13 0.296,14 0.016,15 17.216,16 3.485,17 3.22,18 247,19 3.528,20 348.37,21 4.586,22 3.429,23 516,24 5.769,25 13.707,26 17.43,27 84.745,28 17.522,29 4.81,30 210.968,31 293.23,32 12174,33 2.623,34 431.285,35 0.709,37 5.625,38 21.888,39 9.756,40 2.989,41 3.353,42 2.529,43 11.363,44 41.739,45 1.417,46 22929,47 90,48 7.723,49 6.442,50 1024.14,51 11936.4,52 119.007,53 23.878,54 3.151,55 165.936,56 396.645,57 3.321,58 2.942,59 6.581,60 815,61 3.417,62 4.267,63 1.711,64 1.553,65 3.938,66 0.333,67 0.393,68 0.288,69 0.333,70 5}
{0 CHEMBL1975212,2 0.906,3 2.693,5 6.25,6 2.726,7 1.044,8 2.818,9 2.127,10 3.742,11 1.769,12 3.442,15 4.584,16 2.439,17 1.525,18 100,19 2.103,20 227.31,21 2.241,22 2.279,23 219,24 3.819,25 9.238,26 11.311,27 68.141,28 9.58,29 1.611,30 103.342,31 179.41,32 3275,33 2.15,34 255.382,35 0.958,37 3.497,38 7.875,39 9.492,40 2.686,41 3.016,42 2.014,43 8.314,44 21.656,45 -0.183,46 5520,47 34,48 5.771,49 2.475,50 327.127,51 2739.22,52 62.635,53 15.739,54 1.56,55 114.72,56 271.678,57 3.071,58 2,59 6.862,60 240,61 3.148,62 2.788,63 1.365,64 1.348,65 3.533,66 -1,67 -1.5,68 -0.931,69 -1,70 5}
{0 CHEMBL1975233,2 1.512,3 3.294,5 10.136,6 3.444,7 3.323,8 3.544,9 2.754,10 7.078,11 3.072,12 3.496,13 0.193,14 0.011,15 9.275,16 3.222,17 3.056,18 223,19 3.315,20 317.76,21 5.156,22 3.164,23 456,24 5.897,25 12.601,26 16.613,27 80.166,28 16.027,29 3.027,30 163.464,31 268.27,32 9734,33 2.575,34 391.061,35 0.729,37 5.343,38 17.355,39 8.741,40 2.988,41 3.182,42 2.473,43 10.817,44 42.383,45 1,46 18596,47 84,48 6.553,49 4.725,50 795.529,51 8936.78,52 102.355,53 21.904,54 4.081,55 154.227,56 368.073,57 3.157,58 2.568,60 636,61 3.211,62 3.839,63 1.599,64 1.341,65 3.804,66 -0.093,67 -0.121,68 -0.079,69 -0.093,70 5.8}
{0 CHEMBL1975256,2 1.541,3 3.225,5 9.731,6 3.448,7 3.516,8 4.044,9 2.676,10 7.432,11 3.31,12 3.909,13 0.15,14 0.007,15 11.683,16 3.445,17 3.234,18 253,19 3.828,20 386.46,21 4.859,22 3.453,23 557,24 6.064,25 14.568,26 18.64,27 103.978,28 16.997,29 4.473,30 174.117,31 273.92,32 14886,33 2.681,34 401.522,35 0.559,37 5.304,38 23.722,39 10.269,40 2.906,41 3.36,42 2.376,43 13.645,44 37.901,45 1.202,46 29889,47 101,48 8.946,49 4.962,50 1120.68,51 13958.2,52 126.434,53 25.029,54 3.459,55 170.824,56 408.571,57 3.373,58 2.479,59 7.908,60 1102,61 3.611,62 4.068,63 1.566,64 1.442,65 3.997,66 0.618,67 0.949,68 0.598,69 0.618,70 5}
{0 CHEMBL1975357,2 1.407,3 3.198,4 1,5 9.333,6 3.351,7 3.615,8 3.972,9 2.672,10 7.159,11 4.024,12 3.61,13 0.316,14 0.012,15 29.171,16 4.148,17 3.861,18 252,19 3.837,20 365.52,21 4.854,22 4.013,23 542,24 5.693,25 16.312,26 19.018,27 106.016,28 18.305,29 11.097,30 247.97,31 339.12,32 11238,33 2.848,34 495.737,35 0.638,37 5.676,38 22.543,39 10.736,40 3.002,41 3.564,42 2.844,43 12.938,44 39.879,45 1.221,46 16488,47 93,48 9.795,49 11.819,50 1176.34,51 14538.9,52 130.992,53 25.313,54 3.681,55 200.112,56 480.033,57 3.601,58 2.768,59 7.554,60 1098,61 3.56,62 4.85,63 1.946,64 1.706,65 4.033,66 0.912,67 1,68 0.86,69 0.912,70 5}
{0 CHEMBL1975440,1 3.185,2 1.411,3 3.298,4 1,5 10.04,6 3.444,7 3.285,8 3.67,9 2.718,10 6.381,11 3.48,12 3.745,13 0.145,14 0.007,15 14.327,16 3.634,17 3.376,18 251,19 3.485,20 329.39,21 3.922,22 3.559,23 550,24 5.907,25 13.231,26 17.225,27 96.31,28 15.364,29 5.519,30 188.122,31 278.97,32 11687,33 2.687,34 382.478,35 0.566,37 5.288,38 20.454,39 11.814,40 2.895,41 3.409,42 2.735,43 12.22,44 35.865,45 1,46 20702,47 93,48 7.766,49 5.448,50 1033.12,51 12292.5,52 119.796,53 24.1,54 2.975,55 169.218,56 404.651,57 3.408,58 2.735,59 6.862,60 928,61 3.72,62 4.21,63 1.804,64 1.743,65 3.968,66 1,67 1.5,68 0.957,69 1,70 7.4}
{0 CHEMBL1975490,2 2,3 3.622,5 13,6 3.826,7 3.706,8 3.907,9 3.143,10 8.515,11 3.894,12 3.761,13 0.279,14 0.009,15 24.876,16 3.997,17 3.786,18 403,19 3.801,20 414.5,21 5.429,22 3.903,23 896,24 7.539,25 16.851,26 21.209,27 117.129,28 19.762,29 9.313,30 281.58,31 359.69,32 21886,33 2.777,34 486.356,35 0.405,37 5.694,38 35.124,39 12.753,40 3.266,41 3.649,42 2.759,43 15.208,44 43.775,45 1.532,46 38070,47 151,48 10.221,49 9.427,50 1778.92,51 25777.9,52 162.541,53 29.417,54 4.056,55 210.984,56 506.561,57 3.649,58 2.946,59 7.516,60 1693,61 3.738,62 4.713,63 1.905,64 1.772,65 4.185,66 1.243,67 1.634,68 1.205,69 1.243,70 5.1}
{0 CHEMBL1975500,2 2.623,3 3.762,5 14.294,6 3.964,7 3.945,8 4.041,9 3.293,10 10.157,11 3.978,12 3.728,13 0.395,14 0.01,15 26.157,16 4.041,17 3.929,18 486,19 4.064,20 460.53,21 7.053,22 4.001,23 1032,24 8.173,25 18.691,26 24.242,27 125.906,28 23.607,29 9.311,30 312.253,31 415.19,32 29209,33 3.041,34 574.388,35 0.455,37 5.99,38 46.81,39 11.983,40 3.251,41 3.697,42 2.952,43 16.351,44 57.118,45 1.907,46 52918,47 190,48 10.62,49 9.675,50 2223.91,51 34382.9,52 183.751,53 31.748,54 5.351,55 233.035,56 560.365,57 3.691,58 3.233,59 5.38,60 2060,61 3.687,62 4.79,63 1.855,64 1.761,65 4.255,66 1.344,67 1.862,68 1.325,69 1.344,70 6.3}
{0 CHEMBL1975534,2 1.025,3 2.87,4 1,5 7.222,6 2.963,7 3.251,8 3.839,9 2.241,10 5.557,11 2.845,12 3.586,13 0.078,14 0.011,15 34.407,16 3.15,17 2.578,18 130,19 3.771,20 363.19,21 4.257,22 2.949,23 265,24 4.436,25 11.65,26 14.784,27 75.987,28 13.787,29 4.781,30 146,31 222.34,32 4935,33 2.254,34 367.735,35 1,37 5.003,38 11.444,39 8.253,40 2.855,41 3.05,42 2.113,43 9.407,44 30.876,45 0.115,46 9000,47 50,48 6.431,49 5.898,50 453.399,51 4221.44,52 75.206,53 17.713,54 2.711,55 139.746,56 332.741,57 3.087,58 2.081,59 7.034,60 352,61 3.412,62 3.704,63 1.627,64 1.459,65 3.607,66 -0.576,67 -0.757,68 -0.417,69 -0.576,70 5.5}
{0 CHEMBL1975647,2 1.283,3 3.14,5 8.81,6 3.271,7 3.022,8 3.248,9 2.512,10 5.714,11 2.962,12 3.464,13 0.107,14 0.007,15 6.595,16 3.003,17 2.946,18 185,19 3.176,20 283.29,21 3.606,22 3.006,23 400,24 5.353,25 10.747,26 13.786,27 72.629,28 13.252,29 2.631,30 151.58,31 227.08,32 8186,33 2.524,34 317.945,35 0.655,37 4.919,38 14.34,39 9.997,40 2.7,41 3.155,42 2.284,43 9.826,44 32.219,45 1,46 15668,47 65,48 6.111,49 2.896,50 686.839,51 7310.79,52 94.853,53 20.83,54 2.895,55 135.702,56 322.874,57 3.115,58 2.405,60 549,61 3.376,62 3.658,63 1.627,64 1.472,65 3.787,66 -0.174,67 -0.221,68 -0.16,69 -0.174,70 6.3}
{0 CHEMBL1975900,2 1.49,3 3.33,5 10.087,6 3.458,7 3.584,8 3.652,9 2.752,10 6.605,11 3.235,12 3.743,13 0.25,14 0.013,15 11.765,16 3.362,17 3.195,18 232,19 3.609,20 348.2,21 4.55,22 3.351,23 494,24 6.008,25 13.28,26 17.397,27 91.283,28 15.841,29 4.38,30 158.974,31 283.72,32 11429,33 2.687,34 383.64,35 0.594,37 5.441,38 18.836,39 9.189,40 2.865,41 3.293,42 2.483,43 11.636,44 36.871,45 1.276,46 23002,47 77,48 7.498,49 4.352,50 874.949,51 10213.4,52 108.655,53 22.772,54 3.332,55 160.762,56 384.02,57 3.297,58 2.58,60 777,61 3.664,62 3.962,63 1.783,64 1.727,65 3.863,66 0.196,67 0.244,68 0.152,69 0.196,70 5.3}
{0 CHEMBL1975903,2 1.558,3 3.29,5 9.68,6 3.463,7 3.448,8 3.672,9 2.695,10 7.116,11 3.489,12 3.745,13 0.198,14 0.009,15 15.308,16 3.576,17 3.397,18 242,19 3.581,20 355.45,21 4.909,22 3.475,23 509,24 6.101,25 14.617,26 18.114,27 96.137,28 17.245,29 5.453,30 210.213,31 304.3,32 12259,33 2.584,34 431.078,35 0.614,37 5.309,38 20.144,39 10.677,40 2.961,41 3.417,42 2.626,43 12.864,44 41.784,45 1.229,46 21964,47 74,48 9.399,49 6.472,50 1038.79,51 12696.6,52 120.722,53 24.198,54 4.092,55 178.408,56 427.076,57 3.459,58 2.492,60 880,61 3.62,62 4.181,63 1.753,64 1.655,65 3.947,66 0.475,67 0.544,68 0.412,69 0.475,70 6.1}
{0 CHEMBL1975921,2 0.76,3 2.335,5 4.636,6 2.279,8 2.355,9 1.823,10 2.375,12 3.221,18 51,20 214.03,21 1.493,23 107,24 2.895,25 6.974,26 8.845,27 42.213,28 6.914,30 58.603,31 127.25,32 1496,33 0.51,34 178.388,35 1.412,38 3.455,39 6.67,40 1.941,41 2.524,42 0.548,43 5.831,44 15.144,45 -0.97,46 2905,47 15,48 3.784,50 125.363,51 802.1,52 35.673,53 10.725,54 1.18,55 78.121,56 182.375,57 2.499,58 0.542,59 6.804,60 66,61 2.549,63 1.038,64 0.893,65 3.148,66 -1.904,67 -2.267,68 -1.716,69 -1.904,70 4.3}
{0 CHEMBL1975923,2 1.164,3 2.937,5 7.739,6 3.098,7 3.368,8 3.849,9 2.405,10 6.581,11 3.239,12 3.54,13 0.32,14 0.018,15 23.99,16 3.697,17 3.2,18 178,19 3.656,20 316.39,21 4.944,22 3.642,23 358,24 5.003,25 12.783,26 17.198,27 88.475,28 17.279,29 5.831,30 192.574,31 294.82,32 8665,33 2.682,34 455.56,35 1.01,37 5.993,38 17.399,39 8.373,40 2.855,41 3.338,42 2.625,43 10.736,44 44.73,45 1.031,46 15345,47 69,48 7.135,49 8.2,50 783.886,51 8819.4,52 105.045,53 21.949,54 3.641,55 168.135,56 402.01,57 3.349,58 2.395,60 815,61 3.477,62 4.526,63 1.798,64 1.596,65 3.838,66 0.028,67 0.033,68 0.026,69 0.028,70 5.6}
{0 CHEMBL1975927,2 1.916,3 3.56,4 1,5 12.233,6 3.713,7 3.745,8 3.874,9 3.082,10 8.813,11 3.775,12 3.774,13 0.347,14 0.011,15 21.645,16 3.851,17 3.729,18 367,19 3.834,20 406.48,21 5.969,22 3.786,23 786,24 7.021,25 17.171,26 21.087,27 112.721,28 20.317,29 6.8,30 229.403,31 348.88,32 19277,33 2.949,34 505.309,35 0.496,37 5.601,38 29.72,39 12.152,40 3.106,41 3.563,42 2.886,43 14.66,44 47.085,45 1.578,46 33468,47 141,48 9.221,49 8.469,50 1615.22,51 22412.2,52 154.446,53 28.297,54 4.045,55 206.117,56 494.684,57 3.541,58 2.972,59 6.843,60 1458,61 3.739,62 4.584,63 1.832,64 1.76,65 4.138,66 1,67 1.19,68 0.935,69 1,70 5.3}
{0 CHEMBL1976040,2 2.156,3 3.731,5 14.216,6 3.942,7 4.145,8 4.261,9 3.213,10 10.191,11 4.27,12 3.798,13 0.502,14 0.01,15 36.821,16 4.295,17 4.186,18 526,19 4.223,20 500.67,21 6.97,22 4.233,23 1142,24 8.18,25 21.425,26 26.156,27 145.129,28 25.305,29 11.711,30 363.224,31 457.7,32 31542,33 3.015,34 661.496,35 0.412,37 6.221,38 45.886,39 12.012,40 3.37,41 3.805,42 2.941,43 17.741,44 56.822,45 2.06,46 50929,47 222,48 12.347,49 10.924,50 2625.15,51 42616.4,52 203.86,53 33.735,54 5.22,55 262.942,56 633.339,57 3.815,58 3.286,59 7.222,60 2766,61 3.708,62 5.094,63 1.914,64 1.744,65 4.345,66 1.397,67 1.641,68 1.326,69 1.397,70 5.8}
{0 CHEMBL1976090,2 0.747,3 2.454,5 5.067,6 2.468,7 0.048,8 2.394,9 1.566,10 2.971,11 0.7,12 3.358,15 4.273,16 1.647,17 0.396,18 76,19 0.847,20 218.27,21 1.73,22 1.432,23 166,24 3.365,25 8.323,26 10.767,27 60.671,28 8.738,29 0.938,30 82.239,31 145.85,32 2896,33 1.792,34 215.429,35 1.141,37 2.079,38 6.569,39 9.648,40 2.37,41 2.85,42 1.591,43 7.679,44 19.736,45 -0.265,46 5302,47 22,48 4.979,49 1.085,50 259.172,51 2088.11,52 56.025,53 14.464,54 1.147,55 99.661,56 234.934,57 2.848,58 2.126,59 7.081,60 158,61 2.954,62 1.975,63 1.183,64 0.957,65 3.47,66 -1.07,67 -1.5,68 -0.95,69 -1.07,70 6.1}
{0 CHEMBL1976093,2 1.692,3 3.451,5 11.548,6 3.643,7 3.839,8 4.121,9 2.906,10 8.602,11 3.959,12 3.776,13 0.406,14 0.012,15 29.465,16 4.115,17 3.869,18 358,19 4.018,20 419.56,21 5.883,22 4.033,23 765,24 6.8,25 18.172,26 21.14,27 120.439,28 21.203,29 8.427,30 285.455,31 370.09,32 19144,33 2.793,34 545.218,35 0.539,37 5.902,38 31.994,39 12.218,40 3.217,41 3.626,42 2.748,43 14.427,44 49.224,45 1.544,46 31003,47 137,48 10.124,49 9.712,50 1694.16,51 23787.4,52 159.931,53 28.852,54 4.832,55 221.305,56 531.744,57 3.64,58 3.046,59 7.066,60 1734,61 3.698,62 4.844,63 1.928,64 1.808,65 4.165,66 1.124,67 1.652,68 1.053,69 1.124,70 5}
{0 CHEMBL1976134,1 5.967,2 1.136,3 2.917,4 1,5 7.222,6 3.002,7 2.412,8 2.985,9 2.281,10 3.603,11 2.501,12 3.433,13 0.082,14 0.01,15 7.082,16 2.861,17 2.41,18 130,19 2.78,20 234.28,21 1.945,22 2.79,23 300,24 4.498,25 9.513,26 11.949,27 69.842,28 9.715,29 2.311,30 134.606,31 180.6,32 4687,33 2.121,34 250.966,35 0.673,37 4.295,38 10.173,39 10.977,40 2.722,41 3.119,42 2.087,43 8.899,44 22.741,45 0.478,46 8062,47 36,48 5.771,49 2.443,50 459.265,51 4207.15,52 75.287,53 17.88,54 1.516,55 119.248,56 282.724,57 3.121,58 2.481,59 7.273,60 316,61 3.358,62 3.397,63 1.639,64 1.464,65 3.666,66 -0.521,67 -0.72,68 -0.507,69 -0.521,70 6.8}
{0 CHEMBL1976158,2 1.229,3 2.97,5 7.913,6 3.092,7 3.18,8 3.92,9 2.298,10 4.736,11 2.73,12 3.827,13 0.191,14 0.016,15 15.523,16 3.068,17 2.685,18 182,19 3.759,20 372.14,21 2.903,22 3.032,23 398,24 4.788,25 12.903,26 17.301,27 84.054,28 14.097,29 3.259,30 136.881,31 257.86,32 9911,33 2.581,34 329.917,35 0.756,37 5.325,38 15.796,39 10.974,40 3.148,41 3.255,42 2.423,43 11.563,44 31.649,45 1.369,46 20916,47 65,48 7.329,49 3.141,50 782.365,51 8284.34,52 103.708,53 21.663,54 1.866,55 144.09,56 343.339,57 3.229,58 2.808,59 7.235,60 568,61 3.344,62 3.49,63 1.459,64 1.398,65 3.883,66 0.079,67 0.116,68 0.077,69 0.079,70 5.6}
{0 CHEMBL1976196,1 3.325,2 1.786,3 3.43,4 1,5 11.074,6 3.619,7 3.783,8 3.882,9 2.908,10 7.129,11 3.45,12 3.774,13 0.259,14 0.01,15 19.897,16 3.636,17 3.403,18 299,19 3.658,20 405.26,21 4.82,22 3.535,23 653,24 6.621,25 15.472,26 20.129,27 103.225,28 18.256,29 5.929,30 199.66,31 314.85,32 17269,33 2.799,34 430.086,35 0.503,37 5.826,38 25.048,39 11.068,40 3.339,41 3.453,42 2.735,43 13.496,44 40.41,45 1.906,46 35351,47 110,48 8.966,49 7.252,50 1270.39,51 16274.2,52 134.244,53 25.952,54 3.535,55 183.344,56 439.12,57 3.451,58 2.967,59 7.066,60 1087,61 3.559,62 4.24,63 1.909,64 1.782,65 4.034,66 1,67 1.383,68 1,69 1,70 5.3}
{0 CHEMBL1976220,2 1.953,3 3.514,5 11.852,6 3.718,7 3.698,8 3.929,9 2.94,10 7.765,11 3.533,12 3.845,13 0.193,14 0.009,15 15.055,16 3.589,17 3.393,18 320,19 3.598,20 439.36,21 5.208,22 3.471,23 703,24 7.122,25 16.472,26 20.156,27 113.392,28 18.107,29 6.366,30 209.722,31 323.06,32 16947,33 2.771,34 444.408,35 0.444,37 5.181,38 26.123,39 11.695,40 3.347,41 3.508,42 2.735,43 14.129,44 40.549,45 1.274,46 32046,47 99,48 9.829,49 5.998,50 1304.95,51 17354.7,52 136.072,53 26.359,54 4.029,55 195.061,56 467.708,57 3.555,58 2.88,59 6.862,60 1035,61 3.776,62 4.146,63 1.868,64 1.808,65 4.038,66 1,67 1.5,68 0.993,69 1,70 5.7}
{0 CHEMBL1976240,2 1.84,3 3.503,5 11.577,6 3.654,7 3.371,8 3.64,9 2.95,10 8.5,11 3.586,12 3.688,13 0.205,14 0.009,15 20.168,16 3.712,17 3.476,18 301,19 3.538,20 347.45,21 5.872,22 3.611,23 639,24 6.744,25 14.554,26 18.355,27 101.21,28 17.962,29 7.065,30 232.311,31 326.26,32 13288,33 2.687,34 464.255,35 0.548,37 5.519,38 25.207,39 10.002,40 3.036,41 3.474,42 2.735,43 12.707,44 44.504,45 1.128,46 22238,47 100,48 8.363,49 7.604,50 1187.4,51 15198.4,52 128.82,53 25.447,54 4.424,55 189.131,56 453.239,57 3.498,58 2.525,60 1032,61 3.639,62 4.457,63 1.838,64 1.718,65 3.987,66 1,67 1.361,68 0.979,69 1,70 5.7}
{0 CHEMBL1976376,2 1.996,3 3.546,4 1,5 12.533,6 3.749,7 3.526,8 3.933,9 3.083,10 8.071,11 3.746,12 3.747,13 0.172,14 0.007,15 24.808,16 3.945,17 3.621,18 376,19 3.764,20 402.49,21 5.129,22 3.843,23 842,24 7.183,25 16.362,26 20.501,27 115.507,28 19.066,29 8.972,30 264.423,31 345.03,32 19557,33 2.717,34 488.556,35 0.428,37 5.573,38 32.458,39 12.261,40 3.121,41 3.617,42 2.735,43 14.725,44 41.767,45 1.542,46 34184,47 158,48 9.896,49 9.326,50 1630.99,51 22656.7,52 154.741,53 28.47,54 3.688,55 204.319,56 490.299,57 3.615,58 2.969,59 7.455,60 1496,61 3.732,62 4.644,63 1.903,64 1.794,65 4.153,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL1976420,1 3.353,2 1.293,3 2.997,4 1,5 8.048,6 3.177,7 2.948,8 3.218,9 2.47,10 5.065,11 3.207,12 3.426,13 0.326,14 0.023,15 13.21,16 3.36,17 3.088,18 169,19 3.071,20 281.39,21 3.361,22 3.22,23 359,24 5.059,25 12.513,26 15.035,27 82.939,28 13.934,29 4.528,30 178.612,31 256.19,32 6295,33 2.548,34 394.332,35 0.742,37 4.953,38 15.537,39 10.041,40 2.687,41 3.301,42 2.582,43 10.003,44 32.17,45 0.963,46 9637,47 54,48 7.153,49 5.364,50 667.176,51 6919.38,52 93.63,53 20.48,54 2.483,55 155.547,56 371.296,57 3.335,58 2.417,59 7.05,60 527,61 3.391,62 4.051,63 1.813,64 1.628,65 3.779,66 -0.378,67 -0.479,68 -0.372,69 -0.378,70 6.4}
{0 CHEMBL1976455,2 1.451,3 3.238,5 9.583,6 3.405,7 3.47,8 3.732,9 2.685,10 6.324,11 3.076,12 3.582,13 0.132,14 0.006,15 9.111,16 3.168,17 3.129,18 230,19 3.492,20 333.3,21 4.217,22 3.251,23 488,24 5.831,25 12.003,26 14.656,27 78.386,28 16.004,29 3.243,30 166.219,31 256.52,32 12555,33 2.523,34 349.69,35 0.644,37 5.916,38 18.972,39 10.263,40 2.865,41 3.248,42 2.311,43 10.22,44 39.219,45 1.05,46 26051,47 86,48 6.733,49 4.194,50 939.779,51 11034.8,52 113.797,53 23.354,54 3.738,55 147.691,56 352.126,57 3.186,58 2.607,60 836,61 3.433,62 3.967,63 1.637,64 1.514,65 3.907,66 0.072,67 0.088,68 0.067,69 0.072,70 5.2}
{0 CHEMBL1976732,2 1.413,3 3.285,5 10.067,6 3.449,7 3.881,8 4.16,9 2.689,10 6.693,11 3.752,12 3.831,13 0.472,14 0.013,15 20.291,16 3.91,17 3.729,18 302,19 4.055,20 410.42,21 4.207,22 3.914,23 664,24 6.07,25 16.043,26 19.303,27 104.337,28 18.859,29 7.556,30 234.574,31 307.58,32 19063,33 2.77,34 453.975,35 0.546,37 5.915,38 26.009,39 13.34,40 3.076,41 3.535,42 2.668,43 13.494,44 41.303,45 1.461,46 36548,47 114,48 9.151,49 7.781,50 1500.22,51 19889.1,52 150.73,53 27.593,54 3.298,55 187.531,56 449.336,57 3.494,58 3.133,59 7.934,60 1474,61 3.72,62 4.616,63 1.876,64 1.699,65 4.144,66 1.2,67 1.752,68 1.159,69 1.2,70 6.2}
{0 CHEMBL1976872,2 1.03,3 2.589,5 5.615,6 2.655,7 0.662,8 2.173,9 1.988,10 3.09,11 1.66,12 3.193,15 4.347,16 2.122,17 1.361,18 73,19 1.909,20 175.21,21 1.928,22 2.025,23 152,24 3.632,25 7.189,26 9.259,27 49.054,28 8.108,29 1.394,30 93.353,31 146.33,32 2008,33 1.554,34 220.106,35 1.087,37 3.611,38 6.686,39 7.739,40 2.141,41 2.733,42 1.315,43 6.254,44 19.213,45 -0.788,46 3244,47 23,48 3.976,49 1.608,50 207.115,51 1512.18,52 47.134,53 13.103,54 1.639,55 92.057,56 216.379,57 2.725,58 1.336,59 6.823,60 121,61 3.152,62 2.795,63 1.496,64 1.285,65 3.307,66 -1.443,67 -1.843,68 -1.37,69 -1.443,70 4.2}
{0 CHEMBL1976936,1 3.125,2 1.5,3 3.227,4 1,5 9.333,6 3.367,7 3.545,8 3.886,9 2.69,10 6.575,11 3.534,12 3.73,13 0.185,14 0.009,15 20.968,16 3.67,17 3.417,18 224,19 3.718,20 343.85,21 4.293,22 3.565,23 496,24 5.677,25 13.793,26 17.018,27 92.913,28 15.67,29 5.97,30 218.477,31 281.04,32 10231,33 2.761,34 415.415,35 0.572,36 1,37 5.358,38 18.424,39 10.598,40 3.001,41 3.399,42 2.528,43 11.975,44 33.804,45 1.223,46 17617,47 74,48 8.483,49 6.264,50 929.313,51 10763.3,52 113.214,53 23.246,54 3.356,55 170.075,56 406.744,57 3.411,58 2.641,59 6.843,60 766,61 3.607,62 4.259,63 1.782,64 1.713,65 3.929,66 0.488,67 0.721,68 0.457,69 0.488,70 8}
{0 CHEMBL1977128,1 2.871,2 2.281,3 3.733,5 13.656,6 3.893,7 3.766,8 3.944,9 3.23,10 8.468,11 3.841,12 3.879,13 0.247,14 0.007,15 14.963,16 3.858,17 3.783,18 437,19 3.863,20 419.48,21 5.21,22 3.819,23 966,24 7.841,25 16.857,26 21.916,27 121.894,28 19.689,29 6.41,30 257.121,31 353.65,32 25180,33 2.908,34 487.806,35 0.391,37 5.629,38 38.203,39 13.499,40 3.217,41 3.634,42 2.879,43 15.691,44 45.847,45 1.783,46 45633,47 154,48 9.935,49 6.464,50 1930.88,51 28854,52 170.058,53 30.299,54 4.164,55 211.665,56 508.223,57 3.633,58 3.127,59 7.402,60 1880,61 3.856,62 4.441,63 1.996,64 1.906,65 4.213,66 1.161,67 1.677,68 1.135,69 1.161,70 5.3}
{0 CHEMBL1977134,2 2.831,3 3.969,5 16.41,6 4.207,7 3.952,8 4.155,9 3.423,10 9.803,11 3.94,12 3.882,13 0.461,14 0.011,15 21.199,16 3.998,17 3.907,18 640,19 4.16,20 532.52,21 6.295,22 3.983,23 1428,24 9.712,25 19.99,26 24.648,27 135.854,28 25.042,29 8.455,30 311.498,31 420.62,32 50843,33 3.081,34 549.113,35 0.298,37 5.885,38 56.533,39 14.566,40 3.329,41 3.794,42 2.94,43 17.547,44 55.681,45 1.993,46 103558,47 193,48 11.641,49 8.307,50 3117.09,51 55795,52 222.933,53 35.96,54 4.965,55 240.769,56 579.236,57 3.75,58 3.424,59 7.424,60 3126,61 3.847,62 4.699,63 1.968,64 1.885,65 4.405,66 1.534,67 2.024,68 1.438,69 1.534,70 5.3}
{0 CHEMBL1977135,2 1.884,3 3.414,5 10.773,6 3.559,7 3.028,8 3.225,9 2.88,10 6.794,11 3.223,12 3.685,13 0.086,14 0.005,15 10.172,16 3.295,17 3.136,18 237,19 3.164,20 288.37,21 4.38,22 3.222,23 512,24 6.322,25 12.068,26 15.2,27 87.127,28 14.183,29 4.092,30 166.666,31 271.87,32 8834,33 2.687,34 378.394,35 0.532,37 5.061,38 20.727,39 9.715,40 2.687,41 3.329,42 2.735,43 10.826,44 34.754,45 1,46 14662,47 74,48 7.154,49 4.498,50 822.174,51 9412.96,52 103.547,53 22.301,54 3.672,55 159.156,56 380.1,57 3.364,58 2.382,60 660,61 3.638,62 3.897,63 1.838,64 1.717,65 3.833,66 0.446,67 0.551,68 0.439,69 0.446,70 5.3}
{0 CHEMBL1977138,2 1.657,3 3.421,5 10.852,6 3.564,7 3.496,8 3.757,9 2.876,10 7.052,11 3.534,12 3.741,13 0.269,14 0.01,15 13.339,16 3.606,17 3.476,18 293,19 3.609,20 358.41,21 4.439,22 3.564,23 639,24 6.421,25 14.465,26 17.933,27 101.135,28 16.997,29 5.103,30 217.722,31 301.91,32 15145,33 2.704,34 423.992,35 0.517,37 5.427,38 23.465,39 12.044,40 2.972,41 3.454,42 2.657,43 12.742,44 40.237,45 1.511,46 27677,47 97,48 8.361,49 5.319,50 1251.11,51 16009.5,52 133.794,53 25.869,54 3.324,55 179.879,56 430.664,57 3.446,58 2.813,59 6.843,60 1067,61 3.622,62 4.235,63 1.825,64 1.738,65 4.038,66 1,67 1.319,68 0.964,69 1,70 6.2}
{0 CHEMBL1977148,2 2.551,3 3.943,5 16.417,6 4.113,7 4.016,8 4.1,9 3.507,10 10.66,11 4.077,12 3.873,13 0.364,14 0.009,15 29.738,16 4.097,17 3.974,18 591,19 4.055,20 500.63,21 7.18,22 4.01,23 1292,24 8.992,25 20.25,26 25.424,27 142.245,28 24.249,29 11.032,30 317.659,31 418.62,32 35835,33 3.059,34 594.912,35 0.356,37 5.9,38 50.284,39 13.729,40 3.388,41 3.77,42 2.938,43 18.005,44 54.854,45 1.928,46 65012,47 226,48 12.053,49 9.569,50 2591.05,51 43030.2,52 200.061,53 33.6,54 5.238,55 249.034,56 599.402,57 3.787,58 3.223,59 7.434,60 2612,61 3.803,62 4.81,63 1.896,64 1.844,65 4.321,66 1.088,67 1.583,68 1.022,69 1.088,70 5.7}
{0 CHEMBL1977223,1 2.896,2 1.94,3 3.555,5 12.074,6 3.7,7 3.425,8 3.727,9 3.069,10 7.726,11 3.644,12 3.732,13 0.138,14 0.006,15 17.081,16 3.699,17 3.537,18 326,19 3.619,20 360.46,21 4.99,22 3.627,23 708,24 6.892,25 15.015,26 18.64,27 105.211,28 17.44,29 6.35,30 239.556,31 309.91,32 14697,33 2.75,34 445.077,35 0.478,37 5.389,38 29.015,39 11.751,40 3.049,41 3.493,42 2.735,43 13.225,44 40.325,45 1.353,46 24500,47 117,48 8.951,49 6.191,50 1298.77,51 16964.8,52 135.282,53 26.223,54 3.91,55 188.532,56 451.777,57 3.506,58 2.802,59 7.402,60 1174,61 3.581,62 4.376,63 1.932,64 1.68,65 4.039,66 1,67 1.126,68 1,69 1,70 5}
{0 CHEMBL1977346,2 0.934,3 2.692,5 6.294,6 2.721,7 3.186,8 3.528,9 1.971,10 4.141,11 2.369,12 3.673,13 0.031,14 0.016,15 26.464,16 2.578,17 1.768,18 107,19 3.267,20 338.12,21 2.623,22 2.243,23 234,24 3.824,25 10.725,26 13.328,27 72.832,28 10.769,29 3.379,30 102.039,31 199.57,32 4181,33 2.341,34 274.474,35 0.969,37 3.093,38 8.512,39 9.21,40 2.685,41 3.002,42 1.992,43 9.103,44 23.525,45 0.447,46 7973,47 33,48 6.024,49 2.179,50 370.017,51 3209.82,52 67.771,53 16.482,54 1.948,55 122.372,56 290.349,57 3.045,58 2.337,59 5.38,60 199,61 3.378,62 2.27,63 1.273,64 1.13,65 3.59,66 -0.789,67 -1.127,68 -0.727,69 -0.789,70 5.2}
{0 CHEMBL1977374,2 1.357,3 3.185,5 9.25,6 3.323,7 3.794,8 4.055,9 2.66,10 6.373,11 3.832,12 3.795,13 0.43,14 0.013,15 25.563,16 4.002,17 3.767,18 259,19 3.978,20 380.44,21 3.938,22 3.94,23 575,24 5.634,25 15.525,26 17.673,27 102.338,28 17.304,29 8.465,30 230.574,31 303.54,32 14609,33 2.735,34 419.913,35 0.581,37 5.811,38 22.102,39 12.305,40 3.025,41 3.519,42 2.637,43 12.72,44 37.346,45 1.44,46 26192,47 102,48 9.302,49 9.739,50 1255.93,51 15753.7,52 136.75,53 25.919,54 2.725,55 182.466,56 436.977,57 3.512,58 3.091,59 7.941,60 1224,61 3.716,62 4.713,63 1.862,64 1.655,65 4.083,66 1.059,67 1.432,68 1.017,69 1.059,70 6.5}
{0 CHEMBL1977604,2 1.346,3 2.992,5 8.346,6 3.138,7 3.373,8 3.981,9 2.517,10 6.221,11 3.561,12 3.638,13 0.282,14 0.017,15 23.76,16 3.653,17 3.397,18 217,19 3.877,20 381.44,21 4.253,22 3.612,23 469,24 4.986,25 14.777,26 17.361,27 95.444,28 17.774,29 8.076,30 218.574,31 316.5,32 11834,33 2.762,34 422.293,35 0.768,37 5.53,38 18.846,39 9.558,40 3.052,41 3.447,42 2.712,43 11.923,44 37.64,45 2.091,46 22223,47 86,48 9.262,49 8.161,50 1019.86,51 11742,52 121.899,53 23.935,54 2.583,55 172.601,56 412.907,57 3.455,58 2.931,59 7.402,60 854,61 3.557,62 4.42,63 1.809,64 1.575,65 3.99,66 0.72,67 0.724,68 0.695,69 0.72,70 5}
{0 CHEMBL1977634,2 2.083,3 3.594,5 12.914,6 3.827,7 4.075,8 4.175,9 3.086,10 9.828,11 4.191,12 3.75,13 0.558,14 0.012,15 34.094,16 4.193,17 4.121,18 452,19 4.134,20 470.57,21 6.833,22 4.139,23 963,24 7.666,25 19.74,26 25.165,27 131.632,28 24.336,29 12.035,30 302.981,31 427.46,32 28671,33 2.919,34 607.26,35 0.492,37 6.188,38 40.682,39 12.338,40 3.37,41 3.746,42 2.857,43 16.63,44 59.307,45 1.844,46 49701,47 188,48 11.088,49 11.495,50 2276.93,51 35586.3,52 189.019,53 32.148,54 5.483,55 245.296,56 590.282,57 3.758,58 3.192,59 6.862,60 2507,61 3.719,62 5.013,63 1.989,64 1.784,65 4.277,66 1.265,67 1.777,68 1.259,69 1.265,70 5.3}
{0 CHEMBL1977681,1 2.824,2 1.28,3 2.956,5 7.684,6 3.043,7 2.671,8 3.371,9 2.439,10 4.741,11 2.482,12 3.475,13 0.078,14 0.009,15 6.345,16 2.824,17 2.46,18 146,19 2.858,20 275.33,21 3.07,22 2.734,23 311,24 4.594,25 10.845,26 12.889,27 73.567,28 12.302,29 2.229,30 134.127,31 211.57,32 5772,33 2.565,34 296.682,35 0.815,37 5.089,38 12.925,39 9.719,40 2.768,41 3.129,42 2.372,43 9.2,44 27.72,45 1.001,46 10678,47 54,48 6.47,49 3.144,50 520.308,51 4959.53,52 80.999,53 18.625,54 2.04,55 129.507,56 307.757,57 3.156,58 2.375,59 7.526,60 390,61 3.274,62 3.384,63 1.616,64 1.471,65 3.686,66 -0.286,67 -0.368,68 -0.247,69 -0.286,70 6.7}
{0 CHEMBL1977713,1 2.862,2 1.524,3 3.235,5 9.667,6 3.415,7 3.195,8 3.347,9 2.701,10 6.16,11 3.153,12 3.545,13 0.092,14 0.006,15 10.437,16 3.151,17 3.065,18 203,19 3.058,20 300.77,21 4.084,22 3.064,23 442,24 5.848,25 11.815,26 15.156,27 82.146,28 13.922,29 3.65,30 162.974,31 245.16,32 8490,33 2.611,34 347.275,35 0.565,37 4.93,38 15.025,39 9.586,40 2.855,41 3.225,42 2.31,43 10.509,44 32.427,45 1,46 15778,47 73,48 6.814,49 3.809,50 717.047,51 7859.87,52 96.458,53 21.183,54 3.349,55 148.562,56 354.252,57 3.233,58 2.535,59 6.605,60 556,61 3.261,62 3.786,63 1.561,64 1.398,65 3.785,66 -0.111,67 -0.136,68 -0.089,69 -0.111,70 5}
{0 CHEMBL1977749,2 1.088,3 2.958,5 7.714,6 3.044,7 2.779,8 3.454,9 2.398,10 5.878,11 3.283,12 3.466,13 0.085,14 0.008,15 15.05,16 3.517,17 3.097,18 162,19 3.226,20 277.34,21 3.779,22 3.4,23 345,24 4.718,25 11.49,26 14.656,27 84.741,28 13.5,29 5.97,30 165.362,31 265.9,32 6345,33 2.591,34 367.713,35 0.823,37 5.169,38 14.095,39 9.615,40 2.719,41 3.281,42 2.467,43 10.33,44 31.862,45 1.147,46 10270,47 60,48 6.734,49 6.159,50 639.328,51 6629.63,52 92.608,53 20.295,54 2.57,55 149.693,56 357.01,57 3.308,58 2.413,60 504,61 3.453,62 4.159,63 1.767,64 1.561,65 3.789,66 -0.07,67 -0.087,68 -0.068,69 -0.07,70 6.2}
{0 CHEMBL1977814,2 0.934,3 2.81,5 7.091,6 2.942,7 2.999,8 3.753,9 2.204,10 5.596,11 3.581,12 3.532,13 0.09,14 0.011,15 30.11,16 3.82,17 3.293,18 156,19 3.612,20 319.82,21 3.912,22 3.642,23 326,24 4.513,25 13.809,26 16.516,27 86.555,28 15.379,29 9.088,30 183.858,31 276.43,32 6895,33 2.518,34 402.31,35 0.938,37 5.419,38 14.917,39 9.368,40 2.916,41 3.302,42 2.618,43 10.685,44 34.012,45 1.306,46 11165,47 62,48 7.585,49 8.775,50 679.518,51 7178.48,52 97.28,53 20.738,54 2.54,55 161.212,56 385.116,57 3.325,58 2.675,59 7.034,60 574,61 3.541,62 4.564,63 1.741,64 1.557,65 3.819,66 -0.196,67 -0.232,68 -0.153,69 -0.196,70 5.3}
{0 CHEMBL1977931,1 3.042,2 0.815,3 2.657,4 1,5 5.889,6 2.737,7 1.018,8 3.173,9 1.891,10 4.171,11 2.084,12 3.3,15 8.898,16 2.905,17 1.777,18 106,19 2.695,20 237.28,21 2.507,22 2.77,23 228,24 4.026,25 9.844,26 12.535,27 68.96,28 10.818,29 2.427,30 130.127,31 201.65,32 4303,33 2.19,34 285.635,35 0.939,37 4.174,38 8.889,39 9.912,40 2.587,41 3.095,42 2.185,43 8.771,44 25.452,45 0.504,46 7277,47 34,48 5.656,49 3.912,50 418.718,51 3920.81,52 73.873,53 17.439,54 1.766,55 123.843,56 293.937,57 3.102,58 2.203,59 6.605,60 334,61 3.236,62 3.415,63 1.661,64 1.463,65 3.64,66 -0.765,67 -1.046,68 -0.75,69 -0.765,70 4.3}
{0 CHEMBL1978014,2 2.306,3 3.689,5 13.484,6 3.854,7 3.65,8 3.952,9 3.272,10 8.255,11 3.881,12 3.767,13 0.337,14 0.011,15 24.71,16 3.965,17 3.762,18 418,19 3.82,20 415.55,21 5.305,22 3.871,23 929,24 7.597,25 17.478,26 21.372,27 124.203,28 19.921,29 8.414,30 285.702,31 360.45,32 20726,33 2.866,34 510.839,35 0.407,37 5.628,38 36.959,39 12.309,40 3.171,41 3.65,42 2.928,43 15.081,44 43.841,45 1.649,46 34024,47 144,48 10.537,49 8.47,50 1792.28,51 25736.9,52 162.489,53 29.45,54 3.99,55 216.71,56 520.532,57 3.666,58 3.124,59 7.526,60 1598,61 3.721,62 4.687,63 2.007,64 1.843,65 4.18,66 1.062,67 1.5,68 1.051,69 1.062,70 5}
{0 CHEMBL1978099,2 2.475,3 3.736,5 14.094,6 3.966,7 3.871,8 4.002,9 3.204,10 10.02,11 3.72,12 3.797,13 0.386,14 0.012,15 23.287,16 3.799,17 3.681,18 451,19 3.973,20 460.54,21 7.38,22 3.766,23 936,24 8.271,25 18.033,26 22.683,27 117.971,28 23.57,29 7.031,30 277.315,31 384.12,32 27894,33 2.827,34 539.199,35 0.49,37 5.856,38 39.637,39 11.155,40 3.129,41 3.594,42 2.762,43 15.635,44 61.51,45 1.699,46 53434,47 180,48 10.836,49 7.357,50 1967.18,51 30254.4,52 171.597,53 30.486,54 6.455,55 220.243,56 529.153,57 3.594,58 3.189,60 1954,61 3.639,62 4.573,63 1.76,64 1.699,65 4.179,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL1978166,2 3.529,3 4.108,5 18.553,6 4.329,7 3.997,8 4.103,9 3.645,10 14.066,11 4.251,12 3.805,13 0.339,14 0.008,15 34.889,16 4.272,17 4.096,18 705,19 4.023,20 525.78,21 10.288,22 4.133,23 1491,24 10.359,25 22.665,26 27.098,27 160.207,28 27.792,29 13.522,30 394.347,31 499.8,32 39283,33 3.245,34 699.805,35 0.355,37 5.861,38 69.269,39 13.372,40 3.418,41 3.892,42 3.122,43 19,44 68.102,45 1.889,46 60733,47 304,48 14.026,49 12.792,50 3043.62,51 55856,52 218.223,53 35.766,54 7.885,55 289.602,56 698.389,57 3.955,58 3.057,59 6.88,60 3548,61 3.789,62 4.941,63 2.026,64 1.851,65 4.364,66 1.335,67 1.73,68 1.317,69 1.335,70 6.1}
{0 CHEMBL1978167,1 3.337,2 1.14,3 2.976,4 2,5 7.8,6 3.055,7 3.483,8 3.405,9 2.423,10 4.351,11 2.934,12 3.933,13 0.166,14 0.015,15 12.794,16 3.2,17 2.797,18 156,19 3.449,20 327.2,21 2.605,22 3.074,23 350,24 4.649,25 12.347,26 14.69,27 81.873,28 11.975,29 2.904,30 146.825,31 217.18,32 6246,33 2.561,34 306.938,35 0.702,37 4.595,38 12.54,39 11.288,40 2.828,41 3.217,42 2.319,43 10.298,44 26.123,45 0.785,46 11113,47 54,48 7.072,49 4.623,50 580.393,51 5686.91,52 86.626,53 19.445,54 1.867,55 140.754,56 335.199,57 3.235,58 2.47,59 7.636,60 428,61 3.369,62 3.54,63 1.79,64 1.665,65 3.758,66 -0.409,67 -0.526,68 -0.226,69 -0.409,70 5.3}
{0 CHEMBL1978195,2 1.175,3 2.951,5 7.684,6 3.038,7 3.68,8 3.667,9 2.42,10 4.93,11 2.722,12 3.765,13 0.121,14 0.015,15 19.04,16 3.09,17 2.509,18 146,19 3.591,20 333.22,21 3.272,22 2.906,23 312,24 4.575,25 12.163,26 14.759,27 80.403,28 12.61,29 3.532,30 124.606,31 228.44,32 5949,33 2.426,34 318.741,35 0.814,37 4.651,38 12.188,39 9.942,40 2.852,41 3.174,42 2.074,43 10.133,44 27.698,45 0.604,46 11490,47 55,48 7.192,49 4.693,50 519.437,51 4946.57,52 80.946,53 18.624,54 2.369,55 140.093,56 333.588,57 3.239,58 2.389,59 6.862,60 405,61 3.314,62 3.277,63 1.537,64 1.535,65 3.688,66 -0.628,67 -0.85,68 -0.488,69 -0.628,70 5.3}
{0 CHEMBL1978200,2 1.596,3 3.322,5 10.839,6 3.565,7 3.911,8 4.243,9 2.845,10 8.201,11 3.976,12 3.767,13 0.463,14 0.013,15 29.259,16 4.103,17 3.895,18 336,19 4.156,20 424.5,21 5.593,22 4.079,23 715,24 6.529,25 17.395,26 20.433,27 113.817,28 21.14,29 9.844,30 277.315,31 356.65,32 20058,33 2.868,34 526.697,35 0.58,37 6.095,38 31.453,39 12.263,40 3.098,41 3.598,42 2.733,43 13.922,44 49.105,45 1.491,46 35531,47 136,48 9.816,49 8.879,50 1657.88,51 22976,52 158.767,53 28.646,54 4.495,55 210.113,56 504.435,57 3.59,58 3.081,59 7.081,60 1788,61 3.649,62 4.869,63 1.945,64 1.765,65 4.163,66 1.107,67 1.627,68 1.058,69 1.107,70 6.2}
{0 CHEMBL1978267,2 2.519,3 3.913,5 15.889,6 4.099,7 4.562,8 4.632,9 3.374,10 12.974,11 4.605,12 3.895,13 0.732,14 0.01,15 44.037,16 4.612,17 4.528,18 715,19 4.612,20 616.81,21 8.48,22 4.538,23 1594,24 9.109,25 25.791,26 31.106,27 179.12,28 29.414,29 15.057,30 423.523,31 526.69,32 55672,33 3.27,34 725.865,35 0.328,37 6.303,38 62.51,39 15.985,40 3.552,41 4.011,42 3.111,43 22.484,44 62.088,45 2.202,46 96532,47 277,48 15.582,49 15.646,50 4058.03,51 75725.9,52 262.232,53 39.388,54 6.292,55 311.796,56 752.542,57 4.033,58 3.423,59 7.535,60 4859,61 3.851,62 5.289,63 1.995,64 1.885,65 4.554,66 1.66,67 2.115,68 1.586,69 1.66,70 5.3}
{0 CHEMBL1978271,2 2.359,3 3.788,5 15.079,6 3.999,7 4.237,8 4.264,9 3.337,10 12.332,11 4.378,12 3.777,13 0.653,14 0.012,15 42.974,16 4.355,17 4.301,18 573,19 4.295,20 515.67,21 8.921,22 4.296,23 1216,24 8.498,25 21.823,26 27.123,27 145.663,28 27.488,29 13.412,30 376.593,31 475.7,32 35724,33 3.23,34 697.198,35 0.456,37 6.351,38 50.216,39 12.64,40 3.379,41 3.837,42 3.09,43 18.257,44 67.42,45 1.813,46 59715,47 266,48 12.496,49 13.243,50 2810.98,51 47593.3,52 212.086,53 34.67,54 7.07,55 274.202,56 660.814,57 3.855,58 3.076,59 6.862,60 3310,61 3.738,62 5.217,63 1.992,64 1.784,65 4.359,66 1.325,67 1.807,68 1.276,69 1.325,70 5.3}
{0 CHEMBL1978371,2 1.322,3 3.154,5 9.167,6 3.316,7 4.069,8 4.278,9 2.636,10 8.494,11 4.115,12 3.834,13 0.365,14 0.009,15 26.531,16 4.275,17 4.005,18 275,19 4.191,20 411.9,21 5.615,22 4.189,23 591,24 5.76,25 16.842,26 21.587,27 118.329,28 19.832,29 10.365,30 220.568,31 383.05,32 16957,33 2.86,34 513.877,35 0.672,37 6.079,38 26.667,39 10.018,40 3.239,41 3.638,42 2.735,43 14.885,44 46.387,45 1.771,46 30353,47 110,48 10.053,49 11.466,50 1442.57,51 19240.9,52 149.567,53 27.495,54 3.865,55 212.734,56 510.831,57 3.679,58 2.951,60 1488,61 3.826,62 4.763,63 1.986,64 1.877,65 4.136,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL1978448,2 1.353,3 2.987,4 1,5 8.13,6 3.195,7 3.531,8 3.548,9 2.442,10 5.114,11 3.386,12 3.716,13 0.277,14 0.013,15 17.769,16 3.475,17 3.3,18 187,19 3.494,20 331.43,21 3.288,22 3.34,23 412,24 5.223,25 13.507,26 16.44,27 86.96,28 14.79,29 5.352,30 194.122,31 276.16,32 9077,33 2.419,34 371.986,35 0.63,37 5.358,38 15.618,39 9.613,40 2.918,41 3.375,42 2.412,43 11.826,44 31.793,45 1.039,46 16200,47 55,48 9.37,49 6.632,50 808.275,51 8992.47,52 105.73,53 22.087,54 2.771,55 160.612,56 383.654,57 3.412,58 3.078,59 7.689,60 616,61 3.655,62 4.159,63 1.661,64 1.531,65 3.869,66 0.118,67 0.146,68 0.116,69 0.118,70 5.6}
{0 CHEMBL1978562,1 3.291,2 1.227,3 3.092,4 2,5 8.5,6 3.175,7 3.625,8 3.605,9 2.495,10 4.859,11 3.091,12 3.941,13 0.215,14 0.014,15 12.744,16 3.361,17 2.997,18 187,19 3.623,20 352.21,21 2.951,22 3.272,23 413,24 5.014,25 13.217,26 16.267,27 87.611,28 13.358,29 3.262,30 155.245,31 240.2,32 8446,33 2.663,34 336.538,35 0.67,37 5.055,38 15.479,39 11.684,40 2.936,41 3.275,42 2.464,43 11.23,44 29.805,45 1.349,46 15901,47 66,48 7.456,49 4.45,50 733.361,51 7742.32,52 99.114,53 21.196,54 2.115,55 151.286,56 360.897,57 3.283,58 2.593,59 7.636,60 600,61 3.428,62 3.746,63 1.79,64 1.665,65 3.845,66 0.448,67 0.682,68 0.397,69 0.448,70 5.3}
{0 CHEMBL1978567,2 1.69,3 3.414,5 10.76,6 3.546,7 3.485,8 3.715,9 2.889,10 7.749,11 3.594,12 3.723,13 0.245,14 0.011,15 23.807,16 3.743,17 3.457,18 269,19 3.616,20 353.48,21 5.443,22 3.608,23 572,24 6.298,25 15.132,26 18.165,27 99.108,28 17.56,29 7.908,30 217.95,31 312.81,32 11901,33 2.687,34 455.734,35 0.591,37 5.448,38 21.872,39 9.795,40 3,41 3.434,42 2.735,43 12.488,44 41.845,45 1.148,46 20248,47 91,48 8.725,49 8.526,50 1063.76,51 13017.7,52 121.309,53 24.414,54 4.049,55 184.004,56 440.731,57 3.481,58 2.582,59 6.823,60 914,61 3.632,62 4.456,63 1.761,64 1.612,65 3.945,66 0.722,67 1.02,68 0.642,69 0.722,70 5.3}
{0 CHEMBL1979057,1 3.261,2 1.808,3 3.424,5 11.038,6 3.612,7 3.187,8 3.477,9 2.903,10 6.007,11 3.322,12 3.757,13 0.17,14 0.009,15 11.784,16 3.509,17 3.239,18 287,19 3.319,20 340.41,21 3.506,22 3.411,23 657,24 6.658,25 13.913,26 17.51,27 100.096,28 15.175,29 4.592,30 205.722,31 290.21,32 13734,33 2.696,34 380.497,35 0.422,37 5.072,38 22.769,39 12.44,40 2.946,41 3.49,42 2.735,43 12.776,44 34.19,45 1.41,46 24113,47 82,48 8.501,49 5.938,50 1173.81,51 14843.8,52 128.323,53 25.344,54 2.684,55 174.215,56 416.844,57 3.5,58 2.701,59 7.516,60 848,61 3.737,62 4.044,63 1.883,64 1.772,65 4.022,66 1,67 1.5,68 1,69 1,70 6.1}
{0 CHEMBL1979093,2 2.053,3 3.627,5 13.2,6 3.832,7 3.515,8 3.776,9 3.077,10 8.243,11 3.614,12 3.796,13 0.302,14 0.012,15 17.836,16 3.663,17 3.532,18 396,19 3.626,20 406.45,21 5.507,22 3.611,23 858,24 7.645,25 16.323,26 20.38,27 112.132,28 20.043,29 6.988,30 246.101,31 343.52,32 22037,33 2.832,34 474.363,35 0.436,37 5.468,38 31.427,39 11.894,40 3.081,41 3.565,42 2.771,43 14.046,44 47.421,45 1.625,46 41053,47 130,48 9.125,49 6.469,50 1666.82,51 23934.1,52 156.548,53 28.726,54 4.076,55 200.391,56 480.714,57 3.551,58 3.173,59 6.843,60 1356,61 3.75,62 4.397,63 1.868,64 1.773,65 4.134,66 1,67 1.5,68 1,69 1,70 5.5}
{0 CHEMBL1979176,2 1.66,3 3.413,5 10.962,6 3.587,7 3.414,8 3.606,9 2.888,10 7.183,11 3.337,12 3.512,13 0.222,14 0.01,15 11.384,16 3.325,17 3.317,18 285,19 3.612,20 362.34,21 4.962,22 3.351,23 600,24 6.507,25 13.464,26 16.234,27 87.006,28 17.962,29 4.654,30 194.621,31 288.91,32 15815,33 2.677,34 396.201,35 0.576,37 5.422,38 21.633,39 10.544,40 2.985,41 3.348,42 2.641,43 11.152,44 44.481,45 1.189,46 32003,47 100,48 7.406,49 4.167,50 1165.68,51 14742.6,52 128.068,53 25.188,54 4.235,55 164.078,56 392.11,57 3.295,58 2.753,60 968,61 3.392,62 4.098,63 1.655,64 1.489,65 3.982,66 0.477,67 0.536,68 0.41,69 0.477,70 5}
{0 CHEMBL1979252,2 1.613,3 3.362,5 10.32,6 3.534,7 3.495,8 3.672,9 2.774,10 6.598,11 3.223,12 3.741,13 0.358,14 0.015,15 11.105,16 3.35,17 3.273,18 258,19 3.557,20 347.32,21 4.495,22 3.393,23 544,24 6.349,25 12.724,26 15.527,27 87.647,28 17.032,29 4.609,30 173.995,31 288.81,32 14546,33 2.577,34 375.414,35 0.579,37 5.606,38 21.267,39 9.404,40 2.842,41 3.33,42 2.461,43 10.648,44 41.805,45 1.27,46 29912,47 86,48 7.264,49 4.78,50 1060.19,51 13202.8,52 121.686,53 24.426,54 3.659,55 157.283,56 375.532,57 3.292,58 2.581,60 933,61 3.664,62 4.09,63 1.794,64 1.73,65 3.94,66 0.616,67 0.773,68 0.609,69 0.616,70 5}
{0 CHEMBL1979318,1 2.894,2 0.77,3 2.565,5 5.95,6 2.686,7 0.798,8 4.62,9 1.857,10 5.11,11 2.001,12 3.707,15 16.584,16 3.202,17 1.625,18 119,19 2.819,20 378.19,21 3.44,22 2.859,23 252,24 4.043,25 12.802,26 15.776,27 84.418,28 13.463,29 3.863,30 144.825,31 248.83,32 5782,33 2.574,34 346.168,35 1.022,37 3.951,38 10.7,39 9.3,40 2.859,41 3.191,42 2.448,43 10.496,44 29.461,45 1.194,46 10554,47 46,48 7.079,49 9.893,50 510.42,51 5178.64,52 84.599,53 18.911,54 2.125,55 148.222,56 353.422,57 3.243,58 2.328,59 6.823,60 478,61 3.407,62 3.373,63 1.663,64 1.478,65 3.733,66 -0.234,67 -0.298,68 -0.206,69 -0.234,70 5}
{0 CHEMBL1979357,2 1.687,3 3.399,4 1,5 10.889,6 3.562,7 3.415,8 3.808,9 2.876,10 7.668,11 3.781,12 3.763,13 0.207,14 0.009,15 24.16,16 3.979,17 3.625,18 294,19 3.65,20 354.49,21 4.929,22 3.834,23 645,24 6.412,25 15.286,26 18.64,27 110.977,28 17.354,29 8.705,30 254.366,31 328.38,32 13293,33 2.687,34 462.274,35 0.521,37 5.456,38 24.513,39 12.15,40 3.111,41 3.548,42 2.735,43 13.258,44 40.204,45 1.204,46 21446,47 112,48 9.031,49 10.025,50 1250.4,51 15996.5,52 133.71,53 25.935,54 3.587,55 196.797,56 471.944,57 3.586,58 2.786,59 7.034,60 1144,61 3.727,62 4.629,63 1.936,64 1.817,65 4.041,66 1,67 1.451,68 0.983,69 1,70 5.2}
{0 CHEMBL1979516,2 2.211,3 3.719,5 13.813,6 3.916,7 3.748,8 4.013,9 3.269,10 9.53,11 3.834,12 3.806,13 0.263,14 0.008,15 21.401,16 3.935,17 3.737,18 442,19 3.82,20 449.55,21 6.56,22 3.842,23 948,24 7.998,25 17.924,26 22.148,27 124.211,28 22.028,29 8.714,30 272.913,31 378.9,32 26109,33 2.883,34 519.065,35 0.436,37 5.753,38 38.219,39 12.306,40 3.369,41 3.643,42 2.752,43 15.517,44 52.191,45 1.705,46 48536,47 146,48 10.718,49 8.813,50 1942.12,51 29196.9,52 170.478,53 30.325,54 4.859,55 220.985,56 530.963,57 3.665,58 3.047,59 6.88,60 1808,61 3.78,62 4.59,63 1.894,64 1.832,65 4.196,66 1.086,67 1.582,68 1.028,69 1.086,70 6.4}
{0 CHEMBL1979577,2 2.303,3 3.731,5 14,6 3.972,7 3.782,8 4.114,9 3.257,10 9.326,11 4.014,12 3.806,13 0.349,14 0.011,15 23.675,16 4.125,17 3.876,18 462,19 3.917,20 455.63,21 6.483,22 3.996,23 987,24 8.301,25 19.508,26 23.941,27 136.903,28 22.942,29 10.07,30 298.743,31 413.3,32 25792,33 2.962,34 579.896,35 0.424,37 5.724,38 42.081,39 12.872,40 3.381,41 3.722,42 2.975,43 16.147,44 54.679,45 1.886,46 42870,47 156,48 11.303,49 11.208,50 2097.08,51 32558.7,52 178.026,53 31.191,54 5.581,55 241.64,56 581.362,57 3.771,58 3.193,59 6.88,60 2024,61 3.79,62 4.688,63 1.942,64 1.849,65 4.222,66 1.102,67 1.649,68 1.049,69 1.102,70 6.3}
{0 CHEMBL1979690,1 2.941,2 2.235,3 3.753,5 13.903,6 3.926,7 3.89,8 3.943,9 3.244,10 8.808,11 3.789,12 3.876,13 0.269,14 0.008,15 26.036,16 3.872,17 3.702,18 431,19 3.939,20 434.98,21 5.744,22 3.789,23 966,24 8.015,25 17.895,26 21.709,27 125.253,28 20.215,29 7.013,30 270.399,31 360.57,32 22907,33 2.866,34 505.701,35 0.364,37 5.567,38 35.696,39 12.412,40 3.297,41 3.629,42 2.842,43 15.425,44 43.922,45 1.584,46 39270,47 156,48 10.55,49 7.185,50 1825.36,51 27136.1,52 164.265,53 29.755,54 4.65,55 218.248,56 524.286,57 3.636,58 3.147,59 6.581,60 1711,61 3.66,62 4.543,63 1.913,64 1.734,65 4.184,66 1.093,67 1.622,68 1.049,69 1.093,70 6.4}
{0 CHEMBL1979773,2 2,3 3.607,5 12.889,6 3.806,7 4.167,8 4.221,9 3.069,10 10.627,11 4.35,12 3.785,13 0.671,14 0.013,15 42.552,16 4.339,17 4.26,18 464,19 4.241,20 484.66,21 7.552,22 4.264,23 986,24 7.638,25 21.078,26 25.872,27 141.174,28 25.582,29 13.035,30 351.153,31 451.82,32 28089,33 3.123,34 651.072,35 0.5,37 6.24,38 39.944,39 12.513,40 3.364,41 3.796,42 3.027,43 17.168,44 61.842,45 1.8,46 44929,47 187,48 11.894,49 12.706,50 2398.03,51 38184.6,52 195.658,53 32.77,54 5.846,55 263.412,56 634.485,57 3.824,58 3.169,59 6.862,60 2664,61 3.74,62 5.199,63 1.992,64 1.784,65 4.304,66 1.301,67 1.79,68 1.275,69 1.301,70 5.3}
{0 CHEMBL1979855,2 1.995,3 3.593,5 12.829,6 3.791,7 4.1,8 4.17,9 3.072,10 10.108,11 4.247,12 3.777,13 0.64,14 0.013,15 36.387,16 4.241,17 4.171,18 449,19 4.192,20 466.59,21 6.978,22 4.184,23 957,24 7.545,25 19.793,26 25.001,27 133.542,28 24.16,29 11.734,30 307.736,31 429.24,32 27913,33 3.11,34 611.365,35 0.499,37 6.187,38 38.583,39 12.579,40 3.365,41 3.743,42 2.962,43 16.757,44 59.212,45 1.854,46 47570,47 190,48 11.18,49 11.255,50 2255.7,51 35274.1,52 188.731,53 32.075,54 5.578,55 247.965,56 596.794,57 3.762,58 3.074,59 6.862,60 2499,61 3.738,62 5.069,63 1.992,64 1.784,65 4.279,66 1.3,67 1.899,68 1.275,69 1.3,70 5}
{0 CHEMBL1979883,2 2.441,3 3.794,5 14.545,6 4.008,7 3.834,8 4.014,9 3.294,10 10.14,11 4.062,12 3.805,13 0.403,14 0.012,15 32.081,16 4.076,17 3.912,18 480,19 3.957,20 455.63,21 7.05,22 3.966,23 1025,24 8.44,25 19.585,26 23.725,27 137.916,28 22.942,29 11.508,30 298.743,31 413.3,32 26112,33 2.97,34 574.914,35 0.416,37 5.719,38 43.826,39 12.872,40 3.381,41 3.714,42 2.984,43 16.356,44 54.678,45 1.924,46 43294,47 161,48 11.328,49 9.15,50 2116.01,51 33059.7,52 178.49,53 31.298,54 5.581,55 241.64,56 581.362,57 3.76,58 3.11,59 6.88,60 2074,61 3.787,62 4.747,63 1.903,64 1.841,65 4.226,66 1.172,67 1.728,68 1.142,69 1.172,70 6.2}
{0 CHEMBL1979933,2 1.639,3 3.281,5 9.667,6 3.464,7 3.292,8 3.64,9 2.669,10 7.025,11 3.131,12 3.696,13 0.176,14 0.009,15 10.926,16 3.29,17 3.116,18 232,19 3.454,20 325.33,21 4.637,22 3.309,23 492,24 6.097,25 12.271,26 16.071,27 86.393,28 15.841,29 3.556,30 173.362,31 267.83,32 12133,33 2.563,34 382.063,35 0.594,37 5.487,38 20,39 10.426,40 2.876,41 3.281,42 2.476,43 11.22,44 39.296,45 1.26,46 23532,47 76,48 6.926,49 3.565,50 956.017,51 11479.2,52 114.807,53 23.538,54 4.044,55 155.956,56 372.292,57 3.241,58 2.682,60 808,61 3.494,62 4.007,63 1.675,64 1.609,65 3.911,66 0.069,67 0.086,68 0.065,69 0.069,70 5.3}
{0 CHEMBL1979970,1 2.655,2 1.535,3 3.205,5 9.304,6 3.336,7 3.236,8 3.578,9 2.703,10 6.29,11 3.111,12 3.563,13 0.205,14 0.012,15 12.626,16 3.288,17 3.087,18 214,19 3.518,20 317.33,21 4.199,22 3.301,23 450,24 5.526,25 12.229,26 14.656,27 78.801,28 15.354,29 3.682,30 177.362,31 253.09,32 9998,33 2.615,34 356.515,35 0.692,37 5.447,38 18.609,39 10.311,40 2.874,41 3.258,42 2.473,43 10.275,44 36.751,45 1.267,46 18653,47 87,48 7.059,49 3.653,50 844.011,51 9446.67,52 106.769,53 22.33,54 2.999,55 149.42,56 356.346,57 3.23,58 2.438,59 6.823,60 690,61 3.517,62 4.074,63 1.783,64 1.653,65 3.867,66 0.151,67 0.177,68 0.125,69 0.151,70 5.1}
{0 CHEMBL1980142,2 1.602,3 3.374,5 10.571,6 3.582,7 3.648,8 3.784,9 2.727,10 7.197,11 3.254,12 3.562,13 0.255,14 0.009,15 8.115,16 3.248,17 3.317,18 296,19 3.705,20 400.31,21 5.077,22 3.342,23 619,24 6.616,25 13.689,26 15.527,27 86.145,28 19.753,29 4.095,30 185.911,31 298.33,32 20688,33 2.603,34 389.587,35 0.596,37 6.008,38 23.464,39 10.794,40 3.218,41 3.373,42 2.541,43 10.631,44 49.787,45 1.438,46 46703,47 90,48 7.627,49 4.435,50 1354.06,51 17975.3,52 140.668,53 26.616,54 4.474,55 163.676,56 391.13,57 3.292,58 2.835,60 1162,61 3.414,62 4.07,63 1.641,64 1.502,65 4.047,66 1,67 1.384,68 0.942,69 1,70 5}
{0 CHEMBL1980144,2 2.209,3 3.66,5 13.367,6 3.882,7 3.621,8 3.766,9 3.044,10 8.674,11 3.741,12 3.829,13 0.226,14 0.008,15 17.187,16 3.804,17 3.642,18 401,19 3.748,20 418.52,21 5.813,22 3.701,23 874,24 7.959,25 16.787,26 21.441,27 117.735,28 20.106,29 6.836,30 237.714,31 349.23,32 22568,33 2.867,34 484.835,35 0.406,37 5.532,38 32.267,39 11.747,40 3.277,41 3.571,42 2.749,43 14.962,44 47.469,45 1.669,46 41314,47 124,48 9.917,49 7.454,50 1688.81,51 24850.2,52 157.731,53 28.986,54 4.544,55 207.396,56 497.807,57 3.59,58 2.9,59 6.862,60 1456,61 3.818,62 4.406,63 1.839,64 1.805,65 4.135,66 1.016,67 1.502,68 1,69 1.016,70 7}
{0 CHEMBL1980163,2 2.016,3 3.493,5 11.72,6 3.681,7 3.118,8 3.475,9 2.885,10 7.225,11 3.393,12 3.782,13 0.151,14 0.009,15 15.153,16 3.64,17 3.258,18 293,19 3.366,20 327.41,21 4.468,22 3.52,23 652,24 6.934,25 13.593,26 16.899,27 98.708,28 15.462,29 6.127,30 198.868,31 291.57,32 12604,33 2.687,34 405.552,35 0.436,37 5.066,38 24.365,39 11.746,40 2.95,41 3.447,42 2.735,43 12.382,44 36.243,45 1.107,46 21205,47 99,48 8.119,49 6.414,50 1104.3,51 14008.2,52 123.246,53 24.876,54 3.717,55 174.814,56 418.306,57 3.465,58 2.573,60 903,61 3.786,62 4.204,63 1.962,64 1.85,65 3.975,66 0.922,67 1.296,68 0.878,69 0.922,70 5}
{0 CHEMBL1980167,2 1.693,3 3.511,5 11.743,6 3.731,7 4.266,8 4.278,9 2.868,10 9.804,11 4.237,12 3.885,13 0.575,14 0.011,15 29.671,16 4.179,17 4.183,18 411,19 4.315,20 490.59,21 6.806,22 4.143,23 870,24 7.394,25 19.729,26 25.415,27 137.263,28 24.298,29 11.803,30 261.455,31 416.07,32 29916,33 2.797,34 579.775,35 0.52,37 6.243,38 40.514,39 11.457,40 3.402,41 3.715,42 2.735,43 17.44,44 59.044,45 1.715,46 55106,47 163,48 11.906,49 9.635,50 2219.95,51 34792.6,52 188.115,53 31.987,54 5.637,55 241.239,56 580.382,57 3.736,58 3.393,60 2420,61 3.835,62 4.904,63 1.984,64 1.899,65 4.277,66 1.099,67 1.652,68 1.075,69 1.099,70 5.3}
{0 CHEMBL1980178,1 3.156,2 1.646,3 3.419,4 1,5 10.852,6 3.573,7 3.721,8 4.028,9 2.894,10 7.83,11 3.73,12 3.765,13 0.222,14 0.008,15 25.127,16 3.841,17 3.611,18 293,19 3.84,20 384.91,21 5.28,22 3.727,23 639,24 6.44,25 15.754,26 19.303,27 106.115,28 18.206,29 7.388,30 247.323,31 324,32 14517,33 2.878,34 464.73,35 0.516,36 1,37 5.518,38 23.745,39 10.921,40 3.22,41 3.504,42 2.666,43 13.369,44 40.208,45 1.458,46 25213,47 103,48 9.468,49 7.773,50 1254.15,51 16079,52 133.873,53 25.891,54 4.228,55 193.127,56 462.99,57 3.519,58 2.851,59 6.843,60 1110,61 3.609,62 4.475,63 1.791,64 1.722,65 4.039,66 1.027,67 1.19,68 0.981,69 1.027,70 6.8}
{0 CHEMBL1980246,2 1.5,3 3.266,5 9.409,6 3.382,7 3.08,8 3.337,9 2.72,10 6.413,11 3.218,12 3.616,13 0.144,14 0.008,15 9.892,16 3.293,17 3.147,18 207,19 3.254,20 293.36,21 4.167,22 3.228,23 442,24 5.7,25 11.769,26 15.364,27 83.45,28 14.295,29 3.572,30 177.995,31 255.61,32 8485,33 2.565,34 373.319,35 0.618,37 5.014,38 16.793,39 10.063,40 2.779,41 3.267,42 2.462,43 10.758,44 34.532,45 1,46 14545,47 66,48 6.795,49 4.029,50 781.172,51 8677.48,52 101.722,53 21.795,54 3.347,55 153.689,56 366.761,57 3.264,58 2.502,60 632,61 3.452,62 3.905,63 1.654,64 1.567,65 3.831,66 0.169,67 0.2,68 0.155,69 0.169,70 5.3}
{0 CHEMBL1980253,1 3.155,2 1.444,3 3.2,4 1,5 9.217,6 3.317,7 3.379,8 3.843,9 2.666,10 6.34,11 3.42,12 3.679,13 0.14,14 0.008,15 20.063,16 3.584,17 3.296,18 212,19 3.652,20 329.82,21 4.06,22 3.472,23 473,24 5.481,25 13.176,26 16.148,27 90.85,28 14.729,29 5.694,30 186.131,31 263.74,32 9324,33 2.704,34 376.076,35 0.586,36 1,37 5.137,38 17.361,39 10.498,40 2.932,41 3.339,42 2.476,43 11.582,44 31.789,45 1.2,46 16498,47 75,48 7.986,49 5.929,50 839.316,51 9385.84,52 106.676,53 22.408,54 3.119,55 160.483,56 383.339,57 3.339,58 2.513,59 6.843,60 697,61 3.573,62 4.163,63 1.783,64 1.699,65 3.892,66 0.488,67 0.721,68 0.457,69 0.488,70 7.7}
{0 CHEMBL1980297,2 2.498,3 3.847,5 15.143,6 4.038,7 3.996,8 4.115,9 3.4,10 10.02,11 4.027,12 3.873,13 0.364,14 0.009,15 27.203,16 4.059,17 3.93,18 530,19 4.004,20 488.59,21 6.662,22 3.972,23 1159,24 8.599,25 19.22,26 23.847,27 135.998,28 23.27,29 10.472,30 304.457,31 398.6,32 33887,33 2.971,34 556.554,35 0.371,37 5.883,38 46.766,39 13.63,40 3.377,41 3.733,42 2.844,43 17.073,44 52.523,45 1.928,46 64015,47 187,48 11.629,49 9.383,50 2402.86,51 38679.2,52 192.079,53 32.716,54 4.992,55 236.643,56 569.169,57 3.747,58 3.194,59 7.434,60 2401,61 3.802,62 4.745,63 1.895,64 1.844,65 4.294,66 1.183,67 1.73,68 1.166,69 1.183,70 7.3}
{0 CHEMBL1980329,1 3.078,2 1.713,3 3.272,4 1,5 9.87,6 3.416,7 2.939,8 3.521,9 2.794,10 5.449,11 3.115,12 3.749,13 0.163,14 0.012,15 11.451,16 3.409,17 3.014,18 227,19 3.217,20 302.35,21 3.282,22 3.323,23 504,24 5.742,25 12.206,26 15.811,27 89.417,28 13.854,29 4.61,30 178.75,31 268.3,32 9479,33 2.589,34 358.877,35 0.565,37 5.073,38 20.412,39 10.792,40 2.815,41 3.365,42 2.504,43 11.204,44 31.929,45 1,46 16681,47 81,48 7.308,49 5.306,50 864.229,51 9641.66,52 107.27,53 22.559,54 2.556,55 155.758,56 371.811,57 3.376,58 2.678,59 7.402,60 656,61 3.704,62 3.929,63 1.727,64 1.617,65 3.887,66 0.618,67 0.927,68 0.585,69 0.618,70 7.7}
{0 CHEMBL1980376,2 0.858,3 2.645,5 5.882,6 2.725,7 1.139,8 2.956,9 1.904,10 3.807,11 2.13,12 3.274,15 8.069,16 2.829,17 1.867,18 100,19 2.525,20 224.28,21 2.286,22 2.673,23 217,24 3.93,25 9.474,26 11.828,27 69.019,28 10.209,29 2.168,30 130.127,31 193.29,32 3572,33 2.173,34 274.392,35 0.942,37 4.248,38 8.339,39 9.617,40 2.608,41 3.082,42 2.212,43 8.254,44 23.537,45 -0.131,46 5641,47 36,48 5.464,49 3.872,50 370.535,51 3298.05,52 68.232,53 16.578,54 1.657,55 119.976,56 284.502,57 3.103,58 2.18,59 6.823,60 293,61 3.159,62 3.413,63 1.536,64 1.286,65 3.586,66 -0.574,67 -0.756,68 -0.554,69 -0.574,70 5}
{0 CHEMBL1980391,1 2.91,2 1.034,3 2.906,5 7.72,6 3.033,7 3.323,8 4.158,9 2.337,10 6.172,11 3.39,12 3.779,13 0.188,14 0.013,15 25.853,16 3.794,17 3.267,18 193,19 4.037,20 356.81,21 3.981,22 3.738,23 419,24 4.842,25 14.279,26 17.181,27 94.81,28 16.124,29 7.233,30 194.621,31 288.13,32 10586,33 2.755,34 388.641,35 0.764,37 5.608,38 17.302,39 11.255,40 3.017,41 3.396,42 2.694,43 11.958,44 35.415,45 1.381,46 19663,47 77,48 7.995,49 7.92,50 909.763,51 10518.5,52 115.77,53 23.203,54 2.695,55 168.217,56 402.209,57 3.389,58 2.63,59 7.002,60 814,61 3.66,62 4.435,63 1.748,64 1.584,65 3.964,66 0.554,67 0.695,68 0.492,69 0.554,70 5.4}
{0 CHEMBL1980407,1 3.114,2 2.252,3 3.758,4 1,5 13.939,6 3.943,7 3.831,8 4.039,9 3.256,10 9.451,11 3.978,12 3.843,13 0.219,14 0.006,15 23.652,16 4.07,17 3.89,18 460,19 3.892,20 436.55,21 6.071,22 3.977,23 1021,24 8.143,25 17.993,26 22.623,27 129.017,28 21.197,29 9.257,30 315.72,31 397.52,32 25958,33 2.856,34 535.419,35 0.375,37 5.755,38 40.386,39 12.723,40 3.334,41 3.726,42 2.802,43 16.153,44 48.019,45 1.619,46 44073,47 170,48 10.841,49 10.528,50 2081.96,51 32197.2,52 177.663,53 31.195,54 4.9,55 229.91,56 552.741,57 3.745,58 3.093,59 7.402,60 2064,61 3.798,62 4.697,63 1.839,64 1.737,65 4.242,66 1.229,67 1.739,68 1.212,69 1.229,70 8.3}
{0 CHEMBL1980435,1 2.905,2 2.281,3 3.733,5 13.656,6 3.893,7 3.789,8 3.953,9 3.23,10 8.752,11 3.852,12 3.865,13 0.247,14 0.007,15 17.873,16 3.885,17 3.796,18 437,19 3.888,20 424.5,21 5.506,22 3.845,23 966,24 7.841,25 17.318,26 21.916,27 122.619,28 20.13,29 7.117,30 273.668,31 356.72,32 24526,33 2.908,34 499.399,35 0.391,37 5.625,38 38.203,39 13.3,40 3.188,41 3.646,42 2.884,43 15.691,44 45.847,45 1.563,46 43273,47 154,48 10.074,49 7.193,50 1930.88,51 28854,52 170.058,53 30.299,54 4.334,55 214.722,56 515.681,57 3.644,58 3.125,59 7.402,60 1880,61 3.841,62 4.514,63 1.987,64 1.889,65 4.213,66 1.161,67 1.675,68 1.134,69 1.161,70 6}
{0 CHEMBL1980489,2 1.455,3 3.311,5 10,6 3.431,7 3.258,8 3.568,9 2.754,10 6.2,11 3.162,12 3.743,13 0.205,14 0.012,15 11.392,16 3.3,17 3.107,18 220,19 3.44,20 313.76,21 4.117,22 3.291,23 471,24 5.872,25 12.224,26 16.027,27 86.478,28 14.606,29 4.198,30 152.974,31 268.51,32 9704,33 2.687,34 362.238,35 0.597,37 5.294,38 17.636,39 9.066,40 2.838,41 3.262,42 2.481,43 10.937,44 34.508,45 1,46 18545,47 80,48 7.014,49 4.277,50 792.522,51 8951.65,52 102.359,53 21.969,54 3.149,55 152.429,56 363.688,57 3.265,58 2.579,60 704,61 3.663,62 3.94,63 1.789,64 1.728,65 3.824,66 0.117,67 0.15,68 0.108,69 0.117,70 5.2}
{0 CHEMBL1980540,2 1.488,3 3.283,5 9.76,6 3.468,7 3.355,8 3.561,9 2.661,10 6.77,11 3.226,12 3.617,13 0.23,14 0.011,15 8.393,16 3.191,17 3.212,18 244,19 3.688,20 366.75,21 4.687,22 3.237,23 517,24 6.163,25 13.189,26 16.027,27 84.976,28 17.308,29 3.863,30 170.77,31 278.03,32 14634,33 2.559,34 376.411,35 0.598,37 5.227,38 18.806,39 10.458,40 3.203,41 3.307,42 2.53,43 10.92,44 41.877,45 1.201,46 31136,47 70,48 7.377,49 3.699,50 1040.46,51 12783.5,52 120.95,53 24.24,54 3.941,55 158.822,56 379.286,57 3.265,58 2.587,60 854,61 3.393,62 3.876,63 1.625,64 1.478,65 3.944,66 0.136,67 0.166,68 0.116,69 0.136,70 7.2}
{0 CHEMBL1980562,1 3.139,2 1.857,3 3.494,4 1,5 11.714,6 3.7,7 3.711,8 4.028,9 2.955,10 7.858,11 3.706,12 3.917,13 0.317,14 0.013,15 25.434,16 3.828,17 3.583,18 328,19 3.886,20 420.97,21 5.454,22 3.695,23 713,24 6.961,25 16.887,26 20.475,27 110.13,28 19.434,29 6.97,30 240.366,31 336.64,32 17740,33 2.866,34 481.76,35 0.476,36 1,37 5.437,38 27.566,39 11.051,40 3.234,41 3.542,42 2.666,43 14.587,44 42.605,45 1.457,46 33005,47 110,48 11.351,49 8.502,50 1398.59,51 18684.9,52 141.698,53 26.921,54 4.765,55 201.589,56 483.638,57 3.579,58 2.974,59 6.843,60 1258,61 3.716,62 4.444,63 1.79,64 1.732,65 4.069,66 1,67 1,68 0.982,69 1,70 7.3}
{0 CHEMBL1980592,2 1.152,3 2.945,5 7.762,6 3.044,7 2.999,8 3.35,9 2.398,10 4.467,11 3.083,12 3.661,13 0.124,14 0.01,15 9.56,16 3.234,17 2.921,18 163,19 3.235,20 297.37,21 2.692,22 3.159,23 363,24 4.637,25 12.231,26 14.914,27 78.623,28 12.659,29 3.97,30 142.49,31 229.8,32 6933,33 2.59,34 319.629,35 0.737,37 4.861,38 14.082,39 10.391,40 2.789,41 3.232,42 2.472,43 10.556,44 27.867,45 1.025,46 12384,47 59,48 7.257,49 3.875,50 639.152,51 6436.39,52 92.062,53 20.174,54 1.826,55 141.169,56 336.213,57 3.251,58 2.637,59 7.644,60 477,61 3.421,62 3.707,63 1.637,64 1.569,65 3.8,66 -0.11,67 -0.131,68 -0.107,69 -0.11,70 5.3}
{0 CHEMBL1980671,2 0.796,3 2.603,5 5.824,6 2.641,7 0.662,8 2.64,9 1.809,10 3.714,11 1.63,12 3.231,15 4.667,16 2.299,17 1.334,18 99,19 2.095,20 227.25,21 2.196,22 2.196,23 216,24 3.715,25 8.767,26 11.828,27 63.765,28 10.052,29 1.243,30 112.211,31 185.29,32 3782,33 1.87,34 251.073,35 1.011,37 3.497,38 8.09,39 9.223,40 2.654,41 2.978,42 1.697,43 8.254,44 23.473,45 0.21,46 6677,47 26,48 5.034,49 1.51,50 359.123,51 3145.79,52 67.424,53 16.386,54 1.607,55 111.582,56 264.02,57 2.941,58 2.379,59 5.38,60 196,61 2.999,62 2.794,63 1.298,64 1.146,65 3.589,66 -0.716,67 -1.015,68 -0.706,69 -0.716,70 4.8}
{0 CHEMBL1980704,2 1.398,3 3.267,5 9.68,6 3.424,7 3.369,8 3.635,9 2.661,10 5.78,11 3.367,12 3.784,13 0.226,14 0.009,15 8.805,16 3.44,17 3.334,18 242,19 3.365,20 345.46,21 3.42,22 3.338,23 554,24 5.934,25 14.441,26 17.156,27 101.199,28 14.793,29 3.524,30 201.367,31 268.07,32 11414,33 2.729,34 379.883,35 0.487,37 5.027,38 19.085,39 13.235,40 3.102,41 3.449,42 2.692,43 12.747,44 32.187,45 1.467,46 19547,47 79,48 9.069,49 6.04,50 1027.18,51 12266.9,52 119.891,53 24.125,54 2.467,55 171.886,56 411.163,57 3.486,58 2.665,59 7.526,60 851,61 3.56,62 3.971,63 1.716,64 1.564,65 3.986,66 0.846,67 1.254,68 0.81,69 0.846,70 5}
{0 CHEMBL1980763,1 3.187,2 1.742,3 3.43,4 1,5 11.037,6 3.602,7 3.623,8 3.928,9 2.894,10 8.049,11 3.697,12 3.591,13 0.217,14 0.009,15 22.918,16 3.797,17 3.562,18 298,19 3.614,20 385.94,21 5.527,22 3.67,23 651,24 6.577,25 16.383,26 19.303,27 108.87,28 18.541,29 7.457,30 247.784,31 332.94,32 13831,33 2.866,34 479.096,35 0.5,37 5.322,38 24.963,39 10.696,40 3.191,41 3.528,42 2.789,43 13.386,44 40.304,45 1.369,46 22506,47 102,48 9.71,49 7.386,50 1264.25,51 16304.8,52 134.286,53 25.996,54 4.207,55 198.853,56 476.96,57 3.552,58 2.796,59 6.605,60 1062,61 3.534,62 4.49,63 1.848,64 1.64,65 4.038,66 1,67 1.04,68 0.946,69 1,70 5.4}
{0 CHEMBL1980896,2 1.916,3 3.499,5 11.893,6 3.716,7 3.687,8 3.934,9 2.918,10 8.155,11 3.565,12 4.004,13 0.242,14 0.011,15 16.66,16 3.575,17 3.428,18 333,19 3.692,20 473.8,21 5.624,22 3.475,23 728,24 7.147,25 17.606,26 21.527,27 118.155,28 19.31,29 6.159,30 214.477,31 338.27,32 19121,33 2.96,34 469.414,35 0.455,37 5.204,38 27,39 11.799,40 3.399,41 3.534,42 2.735,43 14.782,44 42.75,45 1.455,46 37675,47 106,48 10.33,49 5.648,50 1404.72,51 19048,52 142.315,53 27.062,54 4.219,55 203.393,56 488.04,57 3.583,58 2.916,59 7.05,60 1100,61 3.762,62 4.125,63 1.787,64 1.748,65 4.07,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL1980995,2 0.986,3 2.956,4 2,5 8.057,6 3.062,7 3.935,8 4.686,9 2.248,10 6.65,11 4.389,12 3.781,13 0.411,14 0.012,15 47.876,16 4.709,17 4.21,18 282,19 4.425,20 466.58,21 3.859,22 4.58,23 655,24 5.059,25 19.884,26 23.637,27 131.874,28 20.312,29 17.849,30 323.51,31 383.55,32 19467,33 3.042,34 507.97,35 0.616,37 6.201,38 25.211,39 15.919,40 3.272,41 3.826,42 2.985,43 17.08,44 39.627,45 2.011,46 32464,47 104,48 12.253,49 21.781,50 1821.68,51 24785.1,52 176.229,53 29.807,54 2.213,55 230.101,56 553.206,57 3.832,58 3.365,59 8.32,60 1554,61 3.692,62 5.314,63 1.955,64 1.889,65 4.332,66 1.435,67 1.997,68 1.418,69 1.435,70 8.801}
{0 CHEMBL1981047,1 2.97,2 2.493,3 3.86,5 15.257,6 4.039,7 3.902,8 4.11,9 3.337,10 10.302,11 4.002,12 3.846,13 0.358,14 0.01,15 30.402,16 4.167,17 3.92,18 534,19 3.997,20 474.62,21 6.977,22 4.064,23 1173,24 8.626,25 20.03,26 24.363,27 135.925,28 23.704,29 9.235,30 339.189,31 429.83,32 29910,33 2.932,34 595.598,35 0.364,37 5.979,38 45.249,39 11.404,40 3.268,41 3.763,42 2.925,43 17.029,44 52.515,45 2.014,46 49387,47 197,48 11.808,49 11.52,50 2403.24,51 38865.2,52 192.327,53 32.756,54 5.02,55 246.685,56 593.671,57 3.772,58 3.225,59 7.516,60 2371,61 3.807,62 4.883,63 1.915,64 1.718,65 4.293,66 1.166,67 1.5,68 1.135,69 1.166,70 5.7}
{0 CHEMBL1981079,1 2.953,2 1.323,3 3.072,4 1,5 8.435,6 3.204,7 3.512,8 3.788,9 2.546,10 5.989,11 3.137,12 3.691,13 0.217,14 0.011,15 13.129,16 3.398,17 3.113,18 194,19 3.632,20 331.76,21 4.028,22 3.369,23 410,24 5.176,25 12.433,26 16.19,27 85.385,28 15.466,29 4.141,30 168.974,31 259.59,32 10013,33 2.559,34 356.327,35 0.766,37 5.623,38 17.365,39 9.95,40 2.863,41 3.262,42 2.336,43 10.83,44 36.565,45 1.021,46 19922,47 71,48 6.904,49 5.112,50 810.666,51 8991.94,52 105.583,53 22.092,54 3.042,55 153.628,56 366.611,57 3.238,58 2.619,59 6.862,60 704,61 3.529,62 4.01,63 1.614,64 1.526,65 3.863,66 -0.057,67 -0.072,68 -0.045,69 -0.057,70 5.7}
{0 CHEMBL1981133,1 3.295,2 2.033,3 3.686,4 1,5 13.233,6 3.856,7 3.6,8 3.759,9 3.111,10 8.172,11 3.774,12 3.792,13 0.185,14 0.006,15 20.746,16 3.866,17 3.679,18 397,19 3.674,20 394.51,21 5.08,22 3.762,23 896,24 7.735,25 16.454,26 20.338,27 117.868,28 18.651,29 7.76,30 286.423,31 345.87,32 20249,33 2.87,34 480.218,35 0.367,37 5.502,38 30.08,39 13.466,40 3.242,41 3.646,42 2.83,43 14.759,44 41.892,45 1.546,46 34241,47 120,48 9.987,49 9.088,50 1677.14,51 24328.3,52 157.096,53 28.901,54 4.034,55 209.657,56 503.322,57 3.669,58 2.821,59 6.823,60 1506,61 3.724,62 4.538,63 1.908,64 1.795,65 4.156,66 1.155,67 1.671,68 1.14,69 1.155,70 5.3}
{0 CHEMBL1981215,2 1.964,3 3.507,5 11.75,6 3.714,7 3.614,8 3.783,9 2.942,10 7.951,11 3.328,12 3.536,13 0.263,14 0.01,15 10.249,16 3.316,17 3.372,18 329,19 3.762,20 398.32,21 5.616,22 3.403,23 687,24 7.042,25 13.797,26 16.234,27 86.643,28 19.778,29 4.735,30 197.376,31 301.05,32 21545,33 2.644,34 401.869,35 0.55,37 5.706,38 27.52,39 10.73,40 3.187,41 3.375,42 2.553,43 11.152,44 49.863,45 1.543,46 48177,47 112,48 7.68,49 4.236,50 1403.98,51 18940.5,52 142.082,53 26.945,54 5.063,55 166.474,56 397.957,57 3.291,58 2.816,60 1234,61 3.391,62 4.15,63 1.618,64 1.484,65 4.051,66 0.933,67 1.335,68 0.903,69 0.933,70 5.3}
{0 CHEMBL1981410,2 2.237,3 3.715,5 13.636,6 3.948,7 3.68,8 3.919,9 3.11,10 9.573,11 3.765,12 3.8,13 0.375,14 0.013,15 23.121,16 3.868,17 3.684,18 450,19 3.906,20 455.49,21 6.59,22 3.807,23 967,24 8.343,25 17.494,26 20.924,27 121.45,28 22.717,29 8.028,30 273.315,31 381.98,32 30599,33 2.939,34 512.317,35 0.409,37 5.726,38 36.562,39 11.831,40 3.249,41 3.618,42 2.843,43 14.619,44 54.775,45 1.801,46 59832,47 130,48 10.032,49 7.895,50 2084.57,51 32725.3,52 178.376,53 31.19,54 5.482,55 215.178,56 516.794,57 3.589,58 3.019,59 5.198,60 1833,61 3.695,62 4.616,63 1.843,64 1.757,65 4.226,66 1.176,67 1.6,68 1.081,69 1.176,70 5}
{0 CHEMBL1981492,2 0.837,3 2.486,5 5.357,6 2.506,7 0.321,8 2.092,9 1.924,10 3.308,11 1.222,12 3.171,15 2.967,16 1.985,17 0.904,18 75,19 1.095,20 191.21,21 2.133,22 1.684,23 154,24 3.387,25 7.598,26 10.129,27 50.945,28 9.027,29 0.853,30 97.287,31 155.12,32 2316,33 1.583,34 231.862,35 1.323,37 2.708,38 6.857,39 7.914,40 2.591,41 2.769,42 1.365,43 6.736,44 21.095,45 -0.369,46 3869,47 28,48 4.046,49 2.015,50 228.016,51 1761.82,52 51.27,53 13.692,54 1.371,55 96.053,56 226.13,57 2.725,58 1.53,59 7.034,60 164,61 2.989,62 2.311,63 1.516,64 1.198,65 3.373,66 -1.368,67 -1.724,68 -1.264,69 -1.368,70 4.9}
{0 CHEMBL1981511,2 1.361,3 3.109,5 8.565,6 3.224,7 3.09,8 3.398,9 2.533,10 5.434,11 3.276,12 3.669,13 0.143,14 0.008,15 12.036,16 3.465,17 3.186,18 197,19 3.275,20 301.37,21 3.268,22 3.364,23 437,24 5.188,25 12.629,26 15.811,27 89.312,28 13.83,29 4.495,30 184.666,31 270.51,32 8431,33 2.595,34 359.424,35 0.641,37 5.09,38 16.601,39 11.065,40 2.93,41 3.37,42 2.601,43 11.204,44 31.753,45 1.313,46 14189,47 66,48 7.451,49 5.658,50 815.768,51 8904.32,52 105.461,53 22.112,54 2.548,55 158.557,56 378.638,57 3.389,58 2.481,59 5.38,60 640,61 3.647,62 4.027,63 1.864,64 1.746,65 3.892,66 0.169,67 0.216,68 0.164,69 0.169,70 6.1}
{0 CHEMBL1981671,1 3.034,2 1.156,3 2.872,5 7.25,6 2.978,7 2.081,8 2.747,9 2.281,10 4.534,11 2.454,12 3.298,13 0.056,14 0.011,15 6.929,16 2.642,17 2.339,18 116,19 2.713,20 219.27,21 3.105,22 2.609,23 240,24 4.411,25 8.987,26 11.544,27 59.971,28 10.955,29 2.159,30 130.127,31 189.72,32 3467,33 2.024,34 281.269,35 0.921,37 4.433,38 10.453,39 8.105,40 2.397,41 2.953,42 1.971,43 7.703,44 26.034,45 0.096,46 5611,47 46,48 5.091,49 2.464,50 357.344,51 3077.34,52 64.515,53 16.17,54 2.357,55 115.238,56 272.94,57 2.945,58 1.94,59 6.843,60 250,61 3.246,62 3.374,63 1.708,64 1.445,65 3.501,66 -1,67 -1.5,68 -0.963,69 -1,70 5.3}
{0 CHEMBL1981720,2 1.26,3 3.118,5 8.7,6 3.237,7 2.939,8 3.177,9 2.485,10 5.532,11 2.966,12 3.445,13 0.057,14 0.004,15 6.928,16 3.006,17 2.92,18 174,19 3.006,20 265.3,21 3.42,22 2.977,23 379,24 5.233,25 10.446,26 13.786,27 72.412,28 12.363,29 2.595,30 149.58,31 221.01,32 6827,33 2.521,34 315.111,35 0.65,37 4.786,38 13.3,39 9.852,40 2.681,41 3.138,42 2.285,43 9.826,44 30.012,45 1,46 12225,47 58,48 6.006,49 2.885,50 615.075,51 6340.91,52 88.863,53 20.017,54 2.855,55 134.504,56 319.95,57 3.118,58 2.347,60 470,61 3.376,62 3.632,63 1.641,64 1.478,65 3.744,66 -0.261,67 -0.355,68 -0.253,69 -0.261,70 6.2}
{0 CHEMBL1981725,2 2.783,3 4.057,5 18,6 4.258,7 4.42,8 4.518,9 3.593,10 13.198,11 4.505,12 3.891,13 0.548,14 0.008,15 39.986,16 4.567,17 4.433,18 828,19 4.466,20 612.77,21 8.538,22 4.495,23 1845,24 9.968,25 25.397,26 30.589,27 177.726,28 29.758,29 14.664,30 445.634,31 537.42,32 61987,33 3.206,34 728.343,35 0.297,37 6.309,38 72.839,39 16.557,40 3.622,41 4.031,42 3.192,43 22.14,44 64.388,45 2.118,46 105678,47 354,48 15.367,49 15.167,50 4406.95,51 85862.2,52 272.506,53 40.526,54 6.428,55 314.124,56 758.223,57 4.042,58 3.422,59 7.066,60 5486,61 3.84,62 5.236,63 1.999,64 1.902,65 4.576,66 1.528,67 2.185,68 1.455,69 1.528,70 7}
{0 CHEMBL1981744,2 1.533,3 3.336,5 10.32,6 3.51,7 3.487,8 3.645,9 2.744,10 6.77,11 3.216,12 3.678,13 0.197,14 0.009,15 8.184,16 3.214,17 3.219,18 258,19 3.588,20 366.75,21 4.687,22 3.239,23 546,24 6.246,25 13.189,26 16.027,27 84.976,28 17.308,29 3.81,30 172.77,31 278.03,32 14859,33 2.639,34 376.411,35 0.589,37 5.338,38 19.424,39 10.436,40 3.044,41 3.307,42 2.536,43 10.903,44 41.895,45 1.189,46 31792,47 83,48 7.371,49 3.816,50 1052.87,51 12921.3,52 121.208,53 24.304,54 4.12,55 158.822,56 379.286,57 3.265,58 2.723,60 865,61 3.405,62 3.88,63 1.598,64 1.474,65 3.944,66 0.049,67 0.059,68 0.045,69 0.049,70 5.3}
{0 CHEMBL1981782,1 2.855,2 1.591,3 3.354,5 10.318,6 3.513,7 3.284,8 3.385,9 2.754,10 6.563,11 3.172,12 3.571,13 0.121,14 0.008,15 9.678,16 3.169,17 3.081,18 227,19 3.452,20 335.21,21 4.521,22 3.123,23 492,24 6.228,25 12.872,26 16.527,27 86.951,28 15.154,29 3.559,30 168.974,31 260.37,32 10462,33 2.656,34 368.677,35 0.53,37 4.986,38 16.983,39 9.681,40 3.134,41 3.258,42 2.315,43 11.192,44 34.797,45 1.131,46 20649,47 70,48 7.292,49 3.996,50 811.506,51 9320.49,52 103.418,53 22.181,54 3.728,55 156.895,56 374.585,57 3.266,58 2.517,59 6.581,60 634,61 3.307,62 3.763,63 1.54,64 1.389,65 3.826,66 0.089,67 0.104,68 0.056,69 0.089,70 5}
{0 CHEMBL1981792,2 1.538,3 3.358,5 10.385,6 3.53,7 3.431,8 3.65,9 2.749,10 6.757,11 3.172,12 3.528,13 0.246,14 0.011,15 7.024,16 3.143,17 3.212,18 270,19 3.649,20 368.29,21 4.645,22 3.238,23 569,24 6.353,25 12.734,26 14.656,27 80.604,28 17.874,29 3.83,30 170.77,31 274.96,32 16972,33 2.66,34 360.677,35 0.593,37 5.569,38 20.497,39 10.541,40 2.926,41 3.305,42 2.525,43 10.22,44 44.447,45 1.433,46 37819,47 80,48 7.099,49 3.584,50 1147.11,51 14462.7,52 127.59,53 25.068,54 4.019,55 152.886,56 364.801,57 3.226,58 2.831,60 948,61 3.378,62 3.91,63 1.574,64 1.46,65 3.979,66 0.273,67 0.327,68 0.239,69 0.273,70 5.3}
{0 CHEMBL1981947,2 2.465,3 3.801,5 14.794,6 4.03,7 3.794,8 4.146,9 3.234,10 9.772,11 3.715,12 3.778,13 0.398,14 0.012,15 18.008,16 3.859,17 3.703,18 503,19 3.964,20 475.51,21 6.969,22 3.84,23 1068,24 8.637,25 18.595,26 21.957,27 118.033,28 24.248,29 6.842,30 300.743,31 404.23,32 32252,33 2.866,34 571.962,35 0.409,37 5.735,38 44.699,39 11.477,40 3.293,41 3.69,42 2.801,43 14.885,44 57.32,45 1.764,46 60823,47 174,48 10.916,49 10.403,50 2260.99,51 36198.6,52 185.733,53 32.016,54 5.798,55 225.029,56 540.831,57 3.674,58 3.325,59 7.286,60 2140,61 3.75,62 4.499,63 1.865,64 1.641,65 4.247,66 1.137,67 1.504,68 1.092,69 1.137,70 5.1}
{0 CHEMBL1982122,2 1.793,3 3.414,5 10.846,6 3.569,7 3.336,8 3.93,9 2.874,10 7.836,11 3.574,12 3.819,13 0.146,14 0.007,15 15.223,16 3.788,17 3.46,18 282,19 3.672,20 361.5,21 5.119,22 3.658,23 617,24 6.428,25 14.986,26 18.123,27 107.253,28 16.984,29 6.137,30 224.379,31 312.72,32 12988,33 2.687,34 453.991,35 0.506,37 5.256,38 24.982,39 11.301,40 2.936,41 3.512,42 2.735,43 13.239,44 38.069,45 1.163,46 22004,47 94,48 9.383,49 8.448,50 1159.91,51 14595.9,52 127.724,53 25.23,54 3.885,55 188.872,56 452.608,57 3.566,58 2.65,59 6.823,60 982,61 3.729,62 4.253,63 1.812,64 1.708,65 4.008,66 1,67 1.5,68 0.983,69 1,70 6.1}
{0 CHEMBL1982135,2 1.891,3 3.483,5 11.724,6 3.672,7 3.505,8 3.793,9 2.922,10 7.213,11 3.671,12 3.823,13 0.258,14 0.01,15 18.196,16 3.746,17 3.548,18 340,19 3.592,20 401.53,21 4.533,22 3.643,23 764,24 6.899,25 16.638,26 20.311,27 117.722,28 18.226,29 7.354,30 251.323,31 337.02,32 17781,33 2.936,34 453.433,35 0.438,37 5.373,38 28.243,39 12.684,40 3.111,41 3.602,42 2.814,43 14.506,44 39.823,45 1.669,46 31201,47 113,48 10.204,49 7.441,50 1490.76,51 20074.5,52 147.498,53 27.568,54 3.285,55 201.732,56 483.987,57 3.639,58 2.917,59 7.081,60 1217,61 3.769,62 4.37,63 1.787,64 1.759,65 4.121,66 1.342,67 1.912,68 1.26,69 1.342,70 5.7}
{0 CHEMBL1982271,1 3.167,2 2.08,3 3.661,4 1,5 13.2,6 3.853,7 3.708,8 4.086,9 3.127,10 9.294,11 3.962,12 3.774,13 0.333,14 0.012,15 35.628,16 4.056,17 3.79,18 396,19 3.959,20 427.99,21 6.518,22 3.912,23 857,24 7.667,25 17.908,26 21.587,27 119.737,28 21.041,29 10.546,30 271.702,31 369.6,32 20204,33 2.94,34 536.783,35 0.437,36 1,37 5.638,38 33.693,39 11.11,40 3.26,41 3.606,42 2.889,43 14.763,44 47.316,45 1.547,46 34076,47 144,48 10.532,49 10.366,50 1676.25,51 24077.4,52 156.634,53 28.771,54 5.298,55 219.106,56 526.379,57 3.625,58 2.997,59 6.843,60 1566,61 3.61,62 4.828,63 1.853,64 1.723,65 4.136,66 1.028,67 1.535,68 1,69 1.028,70 7.9}
{0 CHEMBL1982361,2 1.5,3 3.221,5 9.318,6 3.359,7 3.173,8 3.544,9 2.681,10 5.981,11 3.081,12 3.739,13 0.193,14 0.011,15 11.281,16 3.251,17 3.066,18 205,19 3.507,20 297.31,21 3.879,22 3.287,23 438,24 5.685,25 11.468,26 14.656,27 81.89,28 14.27,29 4.02,30 158.974,31 259.37,32 9345,33 2.568,34 343.67,35 0.624,37 5.556,38 17.041,39 9.105,40 2.821,41 3.245,42 2.427,43 10.254,44 34.438,45 1.196,46 17585,47 68,48 6.642,49 4.156,50 775.95,51 8736.06,52 101.823,53 21.838,54 2.869,55 145.295,56 346.279,57 3.229,58 2.424,60 688,61 3.663,62 3.96,63 1.794,64 1.728,65 3.824,66 0.116,67 0.149,68 0.113,69 0.116,70 5.1}
{0 CHEMBL1982383,2 1.605,3 3.386,5 10.906,6 3.576,7 4.025,8 4.248,9 2.88,10 9.192,11 4.157,12 3.778,13 0.487,14 0.012,15 33.963,16 4.265,17 4.055,18 349,19 4.142,20 435.56,21 6.356,22 4.184,23 740,24 6.609,25 18.086,26 21.847,27 121.363,28 22.128,29 11.356,30 304.253,31 378.88,32 20645,33 2.782,34 561.812,35 0.584,37 6.085,38 33.688,39 12.175,40 3.177,41 3.652,42 2.735,43 15.02,44 51.424,45 1.42,46 34996,47 148,48 10.418,49 11.127,50 1773.9,51 25226.8,52 165.482,53 29.376,54 4.745,55 225.301,56 541.495,57 3.658,58 3.075,59 7.081,60 1968,61 3.68,62 5.014,63 1.97,64 1.793,65 4.196,66 1.117,67 1.5,68 1.048,69 1.117,70 5.9}
{0 CHEMBL1982400,1 3.112,2 1.833,3 3.503,5 11.519,6 3.639,7 3.379,8 3.694,9 2.949,10 6.73,11 3.575,12 3.779,13 0.098,14 0.004,15 13.613,16 3.686,17 3.478,18 311,19 3.545,20 351.44,21 3.947,22 3.597,23 704,24 6.657,25 14.579,26 18.054,27 108.662,28 15.833,29 5.535,30 205.95,31 296.18,32 14374,33 2.687,34 410.775,35 0.44,37 5.176,38 26.601,39 12.969,40 2.926,41 3.524,42 2.735,43 13.365,44 35.871,45 1.279,46 24252,47 110,48 8.847,49 6.21,50 1277.14,51 16412.2,52 134.439,53 26.098,54 3.106,55 183.678,56 439.934,57 3.545,58 2.731,59 7.413,60 1119,61 3.784,62 4.218,63 1.97,64 1.857,65 4.058,66 1,67 1.5,68 1,69 1,70 7.4}
{0 CHEMBL1982413,2 1.102,3 3.019,5 8.048,6 3.128,7 3.255,8 3.55,9 2.398,10 6.307,11 3.526,12 3.638,13 0.123,14 0.008,15 22.72,16 3.704,17 3.347,18 169,19 3.432,20 304.85,21 4.435,22 3.524,23 363,24 4.941,25 13.105,26 15.32,27 86.034,28 14.768,29 6.994,30 192.213,31 276.58,32 6261,33 2.679,34 409.218,35 0.749,37 5.274,38 13.664,39 9.057,40 2.922,41 3.334,42 2.613,43 10.453,44 32.046,45 1.012,46 9430,47 62,48 7.997,49 8.377,50 656.849,51 6853.33,52 93.427,53 20.487,54 3.054,55 162.941,56 389.336,57 3.388,58 2.386,60 547,61 3.397,62 4.346,63 1.729,64 1.499,65 3.783,66 -0.344,67 -0.386,68 -0.257,69 -0.344,70 5.3}
{0 CHEMBL1982465,2 2.833,3 3.923,5 15.944,6 4.137,7 4.07,8 4.075,9 3.396,10 11.195,11 4.198,12 3.806,13 0.366,14 0.009,15 32.516,16 4.149,17 4.065,18 574,19 4.054,20 497.67,21 7.595,22 4.052,23 1256,24 9.184,25 20.822,26 25.261,27 146.991,28 24.423,29 12.34,30 333.059,31 444.33,32 34563,33 2.988,34 606.059,35 0.344,37 5.812,38 54.176,39 13.584,40 3.382,41 3.806,42 2.985,43 18.018,44 54.777,45 2.136,46 59096,47 198,48 12.644,49 9.606,50 2606.51,51 44040.6,52 200.876,53 33.81,54 5.942,55 257.428,56 619.884,57 3.842,58 3.201,59 6.88,60 2762,61 3.788,62 4.836,63 1.952,64 1.844,65 4.324,66 1.189,67 1.73,68 1.179,69 1.189,70 6}
{0 CHEMBL1982466,2 2.257,3 3.779,5 14.515,6 3.958,7 3.754,8 4.01,9 3.253,10 8.87,11 3.936,12 3.859,13 0.276,14 0.009,15 23.231,16 4.007,17 3.818,18 479,19 3.875,20 454.6,21 5.77,22 3.902,23 1061,24 8.19,25 18.98,26 23.303,27 134.53,28 21.468,29 9.112,30 280.465,31 383.74,32 26580,33 2.946,34 531.633,35 0.378,37 5.703,38 40.406,39 13.362,40 3.387,41 3.708,42 2.908,43 16.428,44 48.172,45 1.878,46 46237,47 181,48 11.255,49 9.29,50 2089.98,51 32047.7,52 177.529,53 31.145,54 4.437,55 231.449,56 556.495,57 3.742,58 3.166,59 7.424,60 1976,61 3.805,62 4.66,63 1.894,64 1.846,65 4.238,66 1.068,67 1.578,68 1,69 1.068,70 7.3}
{0 CHEMBL1982506,2 1.014,3 2.805,5 6.947,6 2.869,7 2.252,8 3.164,9 2.249,10 4.21,11 2.313,12 3.248,13 0.056,14 0.011,15 7.057,16 2.746,17 2.25,18 132,19 2.846,20 258.25,21 2.644,22 2.694,23 281,24 4.186,25 10.312,26 13.569,27 65.167,28 11.932,29 1.945,30 117.372,31 213.26,32 5398,33 2.272,34 293.776,35 0.938,37 4.811,38 11.324,39 9.483,40 2.743,41 3.086,42 2.094,43 9.151,44 27.586,45 0.866,46 9985,47 47,48 5.558,49 3.418,50 490.683,51 4601.82,52 79.543,53 18.22,54 1.661,55 122.372,56 290.349,57 3.039,58 2.408,59 7.018,60 362,61 3.098,62 3.441,63 1.576,64 1.297,65 3.686,66 -0.358,67 -0.479,68 -0.337,69 -0.358,70 5.4}
{0 CHEMBL1982563,2 1.63,3 3.413,5 11.484,6 3.598,7 3.883,8 4.172,9 2.862,10 8.602,11 4.035,12 3.777,13 0.475,14 0.014,15 32.015,16 4.181,17 3.928,18 356,19 4.065,20 420.54,21 5.883,22 4.1,23 761,24 6.624,25 18.055,26 21.14,27 118.055,28 21.203,29 10.251,30 286.192,31 367.88,32 19179,33 2.903,34 540.434,35 0.564,37 5.956,38 31.742,39 12.184,40 3.086,41 3.623,42 2.846,43 14.482,44 49.139,45 1.558,46 32135,47 153,48 10.037,49 10.314,50 1672.92,51 23280.7,52 159.209,53 28.722,54 4.52,55 218.507,56 524.917,57 3.63,58 3.068,59 7.081,60 1767,61 3.682,62 4.932,63 1.953,64 1.793,65 4.165,66 1.122,67 1.5,68 1,69 1.122,70 5.6}
{0 CHEMBL1982610,2 1.099,3 2.792,5 6.611,6 2.901,7 4.066,8 3.759,9 2.155,10 4.584,11 2.849,12 3.877,13 0.082,14 0.01,15 37.184,16 3.121,17 2.518,18 119,19 3.691,20 371.57,21 3.067,22 2.864,23 256,24 4.321,25 11.936,26 14.698,27 76.921,28 12.043,29 4.286,30 116.096,31 221.08,32 5340,33 2.23,34 302.104,35 0.845,37 4.723,38 10.642,39 9.1,40 2.857,41 3.067,42 2.023,43 9.803,44 25.649,45 0.911,46 10724,47 40,48 6.629,49 4.645,50 443.906,51 4107.75,52 74.761,53 17.656,54 2.177,55 133.503,56 317.508,57 3.119,58 2.234,59 6.88,60 320,61 3.466,62 3.204,63 1.433,64 1.337,65 3.636,66 -0.713,67 -0.94,68 -0.439,69 -0.713,70 5.1}
{0 CHEMBL1982660,2 1.66,3 3.413,5 10.962,6 3.587,7 3.414,8 3.617,9 2.888,10 7.183,11 3.337,12 3.513,13 0.222,14 0.01,15 11.384,16 3.325,17 3.317,18 285,19 3.612,20 362.34,21 4.962,22 3.351,23 600,24 6.507,25 13.464,26 16.234,27 86.634,28 17.962,29 4.654,30 194.621,31 288.91,32 15801,33 2.641,34 396.201,35 0.576,37 5.422,38 21.633,39 10.544,40 2.985,41 3.348,42 2.554,43 11.152,44 44.481,45 1.189,46 31899,47 100,48 7.417,49 4.167,50 1165.68,51 14742.6,52 128.068,53 25.188,54 4.235,55 164.078,56 392.11,57 3.295,58 2.753,60 968,61 3.392,62 4.098,63 1.655,64 1.489,65 3.982,66 0.477,67 0.536,68 0.41,69 0.477,70 7.2}
{0 CHEMBL1982700,2 1.344,3 3.154,5 9.296,6 3.31,7 3.699,8 4.077,9 2.64,10 9.908,11 4.061,12 3.564,13 0.329,14 0.012,15 37.684,16 4.14,17 3.927,18 251,19 3.925,20 374.53,21 7.874,22 4.035,23 500,24 5.631,25 16.925,26 19.974,27 105.567,28 21.456,29 11.139,30 256.926,31 377.56,32 11058,33 2.91,34 552.725,35 0.976,37 6.023,38 25.449,39 8.72,40 3.052,41 3.524,42 2.893,43 13.014,44 57.702,45 1.314,46 15926,47 118,48 9.608,49 11.588,50 1161.67,51 14532.8,52 130.797,53 25.234,54 4.531,55 209.432,56 502.774,57 3.559,58 2.62,60 1117,61 3.545,62 5.051,63 1.945,64 1.702,65 4.002,66 0.598,67 0.618,68 0.564,69 0.598,70 5.3}
{0 CHEMBL1982711,1 3.078,2 1.235,3 2.962,4 1,5 7.842,6 3.088,7 2.779,8 3.137,9 2.484,10 4.592,11 2.525,12 3.54,13 0.198,14 0.02,15 5.556,16 2.846,17 2.502,18 149,19 2.891,20 271.72,21 2.913,22 2.77,23 320,24 4.721,25 10.608,26 13.905,27 73.462,28 12.055,29 2.137,30 126.881,31 216.86,32 5867,33 2.223,34 300.686,35 0.771,37 4.765,38 12.51,39 9.967,40 2.687,41 3.137,42 2.206,43 9.453,44 27.83,45 0.944,46 10978,47 52,48 6.062,49 2.814,50 528.037,51 5043.41,52 81.371,53 18.725,54 2.062,55 132.176,56 314.269,57 3.144,58 2.245,59 6.862,60 397,61 3.276,62 3.353,63 1.582,64 1.452,65 3.688,66 -0.451,67 -0.61,68 -0.436,69 -0.451,70 7.3}
{0 CHEMBL1982753,2 1.462,3 3.233,5 9.48,6 3.401,7 3.778,8 3.845,9 2.668,10 8.041,11 3.76,12 3.719,13 0.312,14 0.012,15 27.906,16 3.856,17 3.642,18 237,19 3.8,20 359.9,21 5.785,22 3.756,23 501,24 5.908,25 14.591,26 18.311,27 100.626,28 17.987,29 7.786,30 239.066,31 321.6,32 11179,33 2.884,34 457.032,35 0.648,37 5.728,38 21.414,39 9.238,40 3.021,41 3.443,42 2.785,43 12.314,44 41.558,45 1.419,46 18538,47 81,48 8.761,49 7.692,50 1020.17,51 12470.9,52 120.143,53 24.154,54 4.628,55 187.061,56 448.189,57 3.472,58 2.607,60 966,61 3.702,62 4.614,63 1.884,64 1.785,65 3.948,66 0.229,67 0.252,68 0.219,69 0.229,70 6.5}
{0 CHEMBL1982866,2 1.256,3 3.069,5 8.318,6 3.203,7 3.398,8 3.675,9 2.517,10 6.797,11 3.416,12 3.653,13 0.172,14 0.01,15 20.895,16 3.65,17 3.28,18 183,19 3.595,20 314.8,21 4.589,22 3.525,23 387,24 5.197,25 12.864,26 15.864,27 86.715,28 14.855,29 6.609,30 175.995,31 262.46,32 8260,33 2.632,34 385.787,35 0.747,37 5.293,38 18.504,39 9.757,40 2.814,41 3.272,42 2.591,43 11.064,44 34.158,45 1,46 14728,47 80,48 7.242,49 7.026,50 739.994,51 8114.04,52 99.98,53 21.461,54 3.416,55 158.155,56 377.658,57 3.282,58 2.301,59 6.843,60 694,61 3.489,62 4.322,63 1.805,64 1.591,65 3.83,66 0.225,67 0.24,68 0.201,69 0.225,70 5.6}
{0 CHEMBL1982874,2 1.379,3 3.287,5 10,6 3.423,7 3.965,8 4.125,9 2.715,10 6.477,11 3.884,12 3.848,13 0.366,14 0.01,15 22.941,16 4.076,17 3.797,18 290,19 4.036,20 403.52,21 3.867,22 3.96,23 667,24 5.952,25 16.364,26 19.018,27 113.348,28 17.313,29 8.531,30 236.311,31 313.68,32 16261,33 2.775,34 421.627,35 0.494,37 5.685,38 24.568,39 13.333,40 3.187,41 3.61,42 2.735,43 14.23,44 35.781,45 1.475,46 29027,47 114,48 10.528,49 11.091,50 1389.94,51 17983.5,52 144.095,53 26.93,54 2.985,55 194.468,56 466.262,57 3.639,58 3.15,59 8.343,60 1329,61 3.788,62 4.598,63 1.752,64 1.586,65 4.124,66 1,67 1.5,68 1,69 1,70 7.1}
{0 CHEMBL1982924,1 3.174,2 1.607,3 3.43,4 1,5 10.808,6 3.548,7 3.404,8 3.629,9 2.888,10 7.023,11 3.501,12 3.752,13 0.21,14 0.009,15 14.376,16 3.613,17 3.437,18 281,19 3.536,20 343.41,21 4.422,22 3.552,23 616,24 6.327,25 14.192,26 17.933,27 99.795,28 16.369,29 5.511,30 211.82,31 300.36,32 12992,33 2.687,34 414.583,35 0.515,37 5.331,38 22.426,39 11.58,40 2.991,41 3.467,42 2.735,43 12.742,44 38.083,45 1.227,46 22275,47 98,48 8.224,49 6.217,50 1153.14,51 14388.9,52 127.383,53 25.127,54 3.354,55 178.81,56 428.056,57 3.475,58 2.713,59 6.843,60 982,61 3.745,62 4.219,63 1.896,64 1.805,65 4.005,66 1,67 1.482,68 0.992,69 1,70 6.8}
{0 CHEMBL1982980,1 3.13,2 1.639,3 3.431,4 1,5 11.172,6 3.644,7 3.798,8 3.952,9 2.872,10 9.246,11 3.847,12 3.644,13 0.291,14 0.01,15 27.413,16 3.983,17 3.744,18 324,19 3.793,20 432.37,21 6.936,22 3.839,23 676,24 6.852,25 18.117,26 22.129,27 117.745,28 21.753,29 9.68,30 266.158,31 380.71,32 18161,33 3,34 547.469,35 0.59,37 5.747,38 28.649,39 10.806,40 3.353,41 3.597,42 2.826,43 14.385,44 52.483,45 1.685,46 32073,47 112,48 10.146,49 12.288,50 1479.52,51 20291.2,52 147.722,53 27.531,54 4.63,55 218.316,56 524.452,57 3.636,58 2.882,59 7.066,60 1458,61 3.648,62 4.646,63 1.899,64 1.74,65 4.084,66 0.953,67 1.246,68 0.921,69 0.953,70 5}
{0 CHEMBL1982982,2 1.444,3 3.23,5 9.333,6 3.381,7 3.552,8 3.549,9 2.705,10 7.136,11 3.584,12 3.699,13 0.264,14 0.01,15 17.012,16 3.663,17 3.536,18 224,19 3.627,20 321.38,21 4.758,22 3.609,23 476,24 5.827,25 12.869,26 16.071,27 92.641,28 16.004,29 6.457,30 198.877,31 288.94,32 10865,33 2.687,34 395.634,35 0.64,37 5.73,38 20.361,39 10.001,40 2.813,41 3.373,42 2.72,43 11.237,44 39.1,45 1.128,46 19564,47 78,48 7.459,49 6.536,50 933.042,51 11128.6,52 113.947,53 23.407,54 3.922,55 167.148,56 399.601,57 3.386,58 2.691,60 904,61 3.642,62 4.389,63 1.832,64 1.72,65 3.911,66 0.619,67 0.736,68 0.589,69 0.619,70 5.7}
{0 CHEMBL1982992,2 1.006,3 2.801,5 6.722,6 2.923,7 3.031,8 3.368,9 2.108,10 4.706,11 2.589,12 3.499,13 0.082,14 0.01,15 8.851,16 3.092,17 2.464,18 121,19 3.252,20 277.75,21 3.055,22 2.958,23 263,24 4.42,25 10.664,26 13.389,27 73.29,28 11.687,29 3.005,30 122.211,31 203.41,32 5263,33 2.195,34 300.966,35 0.796,37 4.827,38 9.778,39 9.639,40 2.784,41 3.077,42 2.013,43 9.48,44 25.667,45 0.322,46 10158,47 42,48 6.434,49 3.703,50 447.168,51 4206,52 75.22,53 17.782,54 2.291,55 127.05,56 301.761,57 3.111,58 2.181,59 6.823,60 348,61 3.156,62 3.336,63 1.308,64 1.369,65 3.64,66 -0.572,67 -0.728,68 -0.378,69 -0.572,70 5.7}
{0 CHEMBL1983025,2 2.493,3 3.811,5 14.743,6 4.042,7 3.949,8 4.181,9 3.283,10 10.577,11 4.211,12 3.807,13 0.502,14 0.013,15 35.257,16 4.262,17 4.056,18 516,19 4.099,20 483.69,21 7.518,22 4.132,23 1095,24 8.687,25 20.923,26 25.355,27 145.951,28 24.877,29 13.154,30 332.98,31 447.9,32 29412,33 3.04,34 632.05,35 0.418,37 5.872,38 47.931,39 13.102,40 3.381,41 3.793,42 3.039,43 17.268,44 59.813,45 1.888,46 47320,47 177,48 12.424,49 12.246,50 2405.14,51 39144.7,52 192.509,53 32.752,54 5.711,55 260.825,56 628.173,57 3.849,58 3.195,59 6.88,60 2433,61 3.792,62 4.887,63 1.997,64 1.859,65 4.279,66 1.107,67 1.684,68 1.057,69 1.107,70 5.6}
{0 CHEMBL1983070,1 3.062,2 1.385,3 3.297,5 10,6 3.406,7 3.484,8 3.694,9 2.705,10 6.811,11 3.638,12 3.663,13 0.283,14 0.011,15 19.319,16 3.828,17 3.543,18 260,19 3.579,20 345.43,21 4.353,22 3.701,23 566,24 5.814,25 14.653,26 18.096,27 100.587,28 16.615,29 7.144,30 226.114,31 303,32 11887,33 2.707,34 436.463,35 0.589,37 5.448,38 20.615,39 12.101,40 3.004,41 3.485,42 2.714,43 12.669,44 37.924,45 1.258,46 19849,47 92,48 8.544,49 9.013,50 1106.95,51 13395.4,52 125.47,53 24.683,54 3.076,55 181.737,56 435.199,57 3.501,58 2.892,59 6.862,60 936,61 3.659,62 4.452,63 1.872,64 1.741,65 4.003,66 1,67 1.117,68 0.926,69 1,70 5.3}
{0 CHEMBL1983111,2 2.131,3 3.641,5 13.235,6 3.868,7 3.942,8 4.197,9 3.12,10 8.829,11 3.975,12 3.69,13 0.358,14 0.009,15 30.556,16 4.055,17 3.925,18 450,19 4.103,20 474.54,21 5.991,22 4.035,23 981,24 7.803,25 18.576,26 21.535,27 120.65,28 23.072,29 9.652,30 309.566,31 403.53,32 29382,33 2.884,34 539.651,35 0.412,37 6.096,38 39.962,39 11.043,40 3.305,41 3.704,42 2.833,43 14.991,44 50.103,45 2.16,46 54812,47 161,48 11.377,49 10.464,50 2169.88,51 33340.5,52 182.849,53 31.491,54 4.526,55 223.361,56 536.761,57 3.691,58 3.236,59 7.758,60 2046,61 3.645,62 4.878,63 1.807,64 1.728,65 4.258,66 1.301,67 1.781,68 1.182,69 1.301,70 7}
{0 CHEMBL1983157,1 2.998,2 1.197,3 3.044,5 8.381,6 3.161,7 3.034,8 3.471,9 2.475,10 6.144,11 3.424,12 3.509,13 0.121,14 0.009,15 18.602,16 3.604,17 3.251,18 176,19 3.348,20 281.4,21 4.066,22 3.476,23 375,24 5.01,25 12.057,26 14.656,27 88.133,28 13.897,29 5.686,30 192.122,31 252.1,32 6274,33 2.605,34 365.759,35 0.758,37 5.265,38 16.209,39 9.844,40 2.786,41 3.282,42 2.48,43 10.292,44 31.961,45 1,46 9493,47 75,48 7.212,49 6.083,50 663.794,51 6959.64,52 93.606,53 20.554,54 2.856,55 155.547,56 371.296,57 3.312,58 2.535,59 6.823,60 554,61 3.526,62 4.374,63 1.831,64 1.666,65 3.787,66 -0.15,67 -0.17,68 -0.146,69 -0.15,70 6.5}
{0 CHEMBL1983195,2 1.727,3 3.333,5 10.321,6 3.526,7 3.458,8 3.953,9 2.758,10 7.967,11 3.71,12 3.77,13 0.255,14 0.011,15 23.719,16 3.962,17 3.573,18 289,19 3.758,20 376.45,21 5.241,22 3.859,23 625,24 6.344,25 15.677,26 19.51,27 102.809,28 18.417,29 8.301,30 220.568,31 322.79,32 15081,33 2.839,34 461.923,35 0.554,37 5.513,38 27.643,39 11.183,40 3.04,41 3.515,42 2.762,43 13.69,44 42.305,45 1.233,46 25383,47 106,48 9.147,49 9.407,50 1333,51 17372,52 139.505,53 26.491,54 3.73,55 192.528,56 461.528,57 3.508,58 2.818,59 6.986,60 1178,61 3.663,62 4.618,63 1.725,64 1.599,65 4.07,66 0.674,67 1,68 0.648,69 0.674,70 5.6}
{0 CHEMBL1983268,1 2.94,2 2.213,3 3.822,5 14.756,6 4.028,7 4.408,8 4.432,9 3.264,10 12.255,11 4.484,12 3.876,13 0.576,14 0.009,15 48.907,16 4.498,17 4.417,18 605,19 4.474,20 560.71,21 8.31,22 4.451,23 1338,24 8.766,25 23.052,26 26.606,27 157.65,28 27.801,29 15.087,30 412.407,31 493.78,32 45003,33 3.014,34 670.521,35 0.352,37 6.42,38 54.495,39 13.194,40 3.419,41 3.929,42 2.941,43 19.119,44 59.286,45 2.443,46 78395,47 215,48 14.063,49 14.873,50 3303.25,51 58779.8,52 233.542,53 36.722,54 6.6,55 282.726,56 681.611,57 3.94,58 3.338,59 6.823,60 3694,61 3.821,62 5.354,63 1.988,64 1.833,65 4.456,66 1.742,67 2.209,68 1.678,69 1.742,70 5.7}
{0 CHEMBL1983309,2 1.391,3 3.305,5 10,6 3.413,7 3.448,8 3.645,9 2.736,10 6.826,11 3.318,12 3.784,13 0.146,14 0.008,15 16.893,16 3.413,17 3.233,18 230,19 3.511,20 348.83,21 4.802,22 3.327,23 490,24 5.786,25 13.995,26 17.251,27 89.626,28 16.179,29 5.479,30 168.608,31 276.55,32 10422,33 2.624,34 397.513,35 0.631,37 5.264,38 18.023,39 10.053,40 3.081,41 3.312,42 2.637,43 11.798,44 36.911,45 1.067,46 19724,47 78,48 7.894,49 5.529,50 863.581,51 9800.53,52 107.712,53 22.546,54 3.469,55 163.69,56 391.163,57 3.336,58 2.632,59 6.823,60 694,61 3.352,62 4.033,63 1.591,64 1.394,65 3.867,66 0.462,67 0.512,68 0.391,69 0.462,70 5}
{0 CHEMBL1983315,1 3.069,2 1.477,3 3.203,5 9.276,6 3.382,7 3.835,8 4.031,9 2.695,10 7.213,11 4.18,12 3.81,13 0.306,14 0.008,15 25.956,16 4.201,17 4.045,18 269,19 3.984,20 379.5,21 4.401,22 4.097,23 601,24 5.923,25 16.424,26 19.794,27 118.544,28 17.692,29 10.987,30 245.564,31 330.78,32 14817,33 2.848,34 462.929,35 0.549,37 5.718,38 25.696,39 12.08,40 2.971,41 3.61,42 2.803,43 14.204,44 39.22,45 1.44,46 24140,47 111,48 9.69,49 10.592,50 1373.06,51 18048.3,52 144.154,53 26.956,54 3.21,55 202.862,56 486.744,57 3.641,58 2.838,59 7.516,60 1455,61 3.83,62 4.822,63 2.007,64 1.892,65 4.121,66 1.138,67 1.65,68 1.107,69 1.138,70 6.8}
{0 CHEMBL1983348,1 6.347,2 1.936,3 3.519,5 11.621,6 3.683,7 3.602,8 3.917,9 2.974,10 8.467,11 3.817,12 3.681,13 0.305,14 0.011,15 22.545,16 4.01,17 3.703,18 337,19 3.758,20 386.5,21 5.598,22 3.894,23 726,24 6.913,25 16.274,26 20.217,27 111.236,28 19.173,29 7.716,30 272.539,31 341.87,32 17051,33 2.826,34 487.204,35 0.499,37 5.691,38 30.568,39 12.105,40 3.25,41 3.571,42 2.808,43 14.207,44 44.75,45 1.547,46 28312,47 116,48 9.804,49 9.698,50 1495.47,51 20350.3,52 147.766,53 27.59,54 3.875,55 204.789,56 491.445,57 3.589,58 2.53,59 7.535,60 1302,61 3.603,62 4.619,63 1.964,64 1.726,65 4.106,66 1.02,67 1.491,68 0.981,69 1.02,70 5.8}
{0 CHEMBL1983393,1 2.839,2 1.811,3 3.466,5 11.038,6 3.638,7 3.429,8 3.647,9 2.921,10 6.984,11 3.48,12 3.806,13 0.217,14 0.009,15 14.25,16 3.571,17 3.422,18 287,19 3.493,20 346.39,21 4.38,22 3.513,23 634,24 6.718,25 13.662,26 17.062,27 97.609,28 16.308,29 5.575,30 207.66,31 291.34,32 14664,33 2.758,34 393.991,35 0.465,37 5.405,38 23.781,39 11.564,40 2.858,41 3.442,42 2.733,43 12.276,44 38.209,45 1.275,46 27062,47 92,48 8.048,49 5.565,50 1182.44,51 15137.9,52 128.772,53 25.442,54 3.761,55 173.214,56 414.402,57 3.44,58 2.73,59 6.581,60 1018,61 3.778,62 4.233,63 1.892,64 1.786,65 4.004,66 1,67 1.5,68 0.975,69 1,70 6.2}
{0 CHEMBL1983449,2 1.49,3 3.33,5 10.087,6 3.458,7 3.273,8 3.539,9 2.752,10 6.25,11 3.39,12 3.713,13 0.25,14 0.013,15 14.289,16 3.46,17 3.316,18 232,19 3.456,20 307.38,21 4.156,22 3.424,23 494,24 6.008,25 12.985,26 16.397,27 90.445,28 15.292,29 5.344,30 179.367,31 287.9,32 9521,33 2.687,34 415.349,35 0.594,37 5.357,38 18.836,39 10.371,40 2.815,41 3.343,42 2.589,43 11.059,44 36.871,45 1.146,46 15758,47 77,48 7.286,49 5.363,50 874.949,51 10213.4,52 108.655,53 22.772,54 3.114,55 163.281,56 390.166,57 3.357,58 2.507,60 777,61 3.642,62 4.176,63 1.785,64 1.71,65 3.863,66 0.196,67 0.241,68 0.184,69 0.196,70 5}
{0 CHEMBL1983534,2 1.883,3 3.406,5 10.696,6 3.544,7 3.053,8 3.584,9 2.893,10 6.371,11 3.243,12 3.817,13 0.065,14 0.004,15 8.789,16 3.458,17 3.149,18 246,19 3.39,20 317.44,21 3.932,22 3.329,23 548,24 6.244,25 13.254,26 15.838,27 96.425,28 14.194,29 3.537,30 178.666,31 269.33,32 9779,33 2.687,34 375.565,35 0.489,37 4.82,38 22.147,39 11.241,40 2.88,41 3.395,42 2.735,43 11.79,44 32.054,45 1,46 16477,47 80,48 8.288,49 5.538,50 896.51,51 10382.8,52 109.057,53 22.964,54 3.188,55 165.691,56 396.047,57 3.454,58 2.473,59 6.823,60 693,61 3.729,62 3.806,63 1.81,64 1.708,65 3.895,66 0.583,67 0.692,68 0.536,69 0.583,70 6.1}
{0 CHEMBL1983575,2 1.556,3 3.338,5 10.333,6 3.5,7 3.877,8 3.575,9 2.72,10 7.59,11 3.018,12 3.844,13 0.135,14 0.008,15 10.075,16 3.058,17 2.973,18 217,19 3.458,20 413.08,21 5.788,22 2.974,23 449,24 6.209,25 13.849,26 17.242,27 87.863,28 16.015,29 3.413,30 141.245,31 272.26,32 9515,33 2.687,34 398.177,35 0.63,37 4.982,38 16.517,39 8.793,40 3.055,41 3.191,42 2.353,43 11.213,44 39.662,45 1,46 18650,47 65,48 7.478,49 3.717,50 734.903,51 8304.97,52 97.649,53 21.421,54 4.843,55 159.06,56 379.867,57 3.217,58 2.421,60 552,61 3.225,62 3.609,63 1.453,64 1.349,65 3.76,66 -0.342,67 -0.439,68 -0.192,69 -0.342,70 6.2}
{0 CHEMBL1983589,1 3.143,2 1.465,3 3.289,4 1,5 9.958,6 3.408,7 3.424,8 3.856,9 2.736,10 6.575,11 3.555,12 3.735,13 0.218,14 0.011,15 21.079,16 3.687,17 3.423,18 239,19 3.711,20 342.87,21 4.293,22 3.566,23 530,24 5.772,25 13.923,26 17.018,27 94.614,28 15.67,29 5.747,30 203.329,31 283.25,32 10051,33 2.797,34 405.628,35 0.56,36 1,37 5.227,38 18.833,39 10.598,40 3.038,41 3.407,42 2.55,43 11.975,44 33.843,45 1.037,46 16699,47 90,48 8.558,49 6.496,50 940.624,51 10888.1,52 113.484,53 23.316,54 3.356,55 172.874,56 413.571,57 3.427,58 2.674,59 6.843,60 776,61 3.611,62 4.268,63 1.783,64 1.716,65 3.929,66 0.489,67 0.721,68 0.457,69 0.489,70 7.9}
{0 CHEMBL1983595,1 2.889,2 2.2,3 3.675,5 13.065,6 3.846,7 3.851,8 3.927,9 3.112,10 8.343,11 3.834,12 3.895,13 0.247,14 0.007,15 17.009,16 3.848,17 3.759,18 405,19 3.924,20 428.91,21 5.246,22 3.802,23 899,24 7.62,25 17.044,26 21.709,27 120.961,28 19.493,29 6.581,30 250.078,31 345.84,32 23425,33 2.908,34 479.609,35 0.398,37 5.582,38 36.11,39 13.183,40 3.268,41 3.616,42 2.789,43 15.442,44 43.762,45 1.563,46 43156,47 144,48 10.029,49 6.491,50 1788.41,51 26023.4,52 162.865,53 29.491,54 4.217,55 209.466,56 502.857,57 3.622,58 3.102,59 7.402,60 1689,61 3.854,62 4.424,63 1.973,64 1.889,65 4.183,66 1.157,67 1.673,68 1.124,69 1.157,70 5.3}
{0 CHEMBL1983630,2 1.078,3 2.845,5 6.938,6 2.889,7 1.941,8 2.67,9 2.281,10 3.546,11 2.113,12 3.311,13 0.037,14 0.009,15 5.679,16 2.617,17 2.013,18 111,19 2.436,20 210.25,21 2.051,22 2.516,23 245,24 4.146,25 8.604,26 10.958,27 61.097,28 9.254,29 1.906,30 109.457,31 186.89,32 3407,33 2.076,34 250.91,35 0.824,37 4.342,38 8.594,39 8.709,40 2.663,41 3.011,42 2.026,43 7.826,44 21.835,45 0.616,46 5726,47 34,48 5.17,49 2.516,50 346.721,51 2907.23,52 63.653,53 16.007,54 1.652,55 110.384,56 261.096,57 3.026,58 2.135,59 6.804,60 230,61 3.218,62 3.151,63 1.558,64 1.39,65 3.533,66 -1,67 -1.318,68 -0.966,69 -1,70 4.1}
{0 CHEMBL1983640,2 2.869,3 3.926,5 16.054,6 4.153,7 4.048,8 4.052,9 3.386,10 11.121,11 4.103,12 3.799,13 0.378,14 0.008,15 27.884,16 4.096,17 4.047,18 594,19 4.032,20 499.59,21 7.498,22 4.043,23 1295,24 9.319,25 20.306,26 24.907,27 140.764,28 24.945,29 10.576,30 337.814,31 440.68,32 38703,33 3.041,34 595.304,35 0.342,37 5.969,38 55.214,39 13.725,40 3.322,41 3.793,42 2.961,43 17.564,44 57.089,45 2.268,46 69119,47 208,48 11.87,49 9.236,50 2766.03,51 47697.1,52 208.106,53 34.516,54 5.822,55 251.491,56 605.399,57 3.788,58 3.204,59 6.88,60 2915,61 3.774,62 4.867,63 1.955,64 1.838,65 4.348,66 1.384,67 1.916,68 1.338,69 1.384,70 5.8}
{0 CHEMBL1983715,2 2.275,3 3.788,5 14.484,6 3.967,7 3.764,8 3.843,9 3.256,10 9.816,11 3.889,12 3.729,13 0.28,14 0.009,15 26.818,16 3.921,17 3.763,18 449,19 3.79,20 437.63,21 6.908,22 3.801,23 966,24 8.209,25 18.869,26 22.148,27 126.705,28 21.815,29 8.844,30 283.498,31 387.56,32 22449,33 2.949,34 556.25,35 0.407,37 5.622,38 36.753,39 11.17,40 3.279,41 3.643,42 2.896,43 15.437,44 49.822,45 1.56,46 37327,47 148,48 11.271,49 8.535,50 1844.74,51 27646,52 164.823,53 29.772,54 5.266,55 228.569,56 549.468,57 3.682,58 2.991,59 6.804,60 1680,61 3.588,62 4.66,63 1.846,64 1.706,65 4.168,66 1.042,67 1.287,68 1,69 1.042,70 6.5}
{0 CHEMBL1983855,1 3.015,2 1.637,3 3.209,5 9.381,6 3.352,7 2.99,8 3.347,9 2.725,10 6.144,11 3.213,12 3.442,13 0.139,14 0.01,15 15.634,16 3.39,17 3.076,18 197,19 3.212,20 282.38,21 4.066,22 3.282,23 424,24 5.533,25 12.181,26 14.656,27 82.832,28 13.897,29 4.768,30 192.621,31 249.89,32 6949,33 2.576,34 366.468,35 0.644,37 5.031,38 16.816,39 10.024,40 2.894,41 3.264,42 2.568,43 10.275,44 32.271,45 1.079,46 10969,47 85,48 6.953,49 5.091,50 704.01,51 7477.37,52 95.247,53 20.91,54 3.004,55 152.749,56 364.468,57 3.282,58 2.416,59 6.804,60 576,61 3.368,62 4.176,63 1.793,64 1.543,65 3.787,66 -0.212,67 -0.233,68 -0.193,69 -0.212,70 7.1}
{0 CHEMBL1983923,1 2.947,2 1.5,3 3.354,5 10.286,6 3.53,7 3.812,8 3.882,9 2.683,10 8.549,11 4.009,12 3.784,13 0.311,14 0.009,15 26.215,16 3.968,17 3.907,18 288,19 3.87,20 375.53,21 5.699,22 3.896,23 626,24 6.534,25 16.261,26 19.347,27 113.771,28 18.665,29 8.493,30 263.315,31 342.96,32 14511,33 2.844,34 488.076,35 0.518,37 5.635,38 28.857,39 10.505,40 3.036,41 3.545,42 2.826,43 13.653,44 42.13,45 1.443,46 22786,47 108,48 9.503,49 7.328,50 1334.49,51 18142.3,52 140.656,53 26.8,54 4.986,55 203.85,56 489.153,57 3.566,58 3.032,59 6.529,60 1300,61 3.671,62 4.764,63 1.823,64 1.679,65 4.074,66 1,67 1.07,68 0.965,69 1,70 5.4}
{0 CHEMBL1983932,2 1.531,3 3.301,5 10.043,6 3.448,7 3.599,8 3.824,9 2.757,10 6.941,11 3.342,12 3.744,13 0.148,14 0.007,15 9.735,16 3.324,17 3.247,18 231,19 3.444,20 373.23,21 4.743,22 3.26,23 492,24 5.91,25 13.794,26 17.234,27 89.497,28 15.716,29 4.361,30 179.362,31 272.68,32 10479,33 2.642,34 389.385,35 0.609,37 5.122,38 18.163,39 10.222,40 2.986,41 3.288,42 2.542,43 11.73,44 36.918,45 1.094,46 19662,47 80,48 7.582,49 4.396,50 872.269,51 9989.52,52 108.154,53 22.671,54 3.782,55 162.805,56 389.003,57 3.287,58 2.639,60 721,61 3.391,62 3.953,63 1.655,64 1.488,65 3.871,66 0.034,67 0.041,68 0.032,69 0.034,70 8}
{0 CHEMBL1983945,1 3.208,2 2.143,3 3.673,4 1,5 13.138,6 3.848,7 3.578,8 3.805,9 3.095,10 8.718,11 3.726,12 3.771,13 0.222,14 0.008,15 19.571,16 3.83,17 3.642,18 381,19 3.706,20 383.49,21 5.686,22 3.749,23 836,24 7.664,25 15.747,26 20.054,27 113.915,28 18.913,29 6.726,30 266.193,31 345.53,32 19011,33 2.77,34 481.311,35 0.415,37 5.593,38 31.042,39 12.087,40 3.168,41 3.578,42 2.735,43 14.187,44 44.955,45 1.498,46 32567,47 129,48 9.335,49 8.012,50 1562.45,51 22287.3,52 150.56,53 28.205,54 4.707,55 204.66,56 491.13,57 3.597,58 2.893,59 6.823,60 1428,61 3.712,62 4.498,63 1.903,64 1.794,65 4.107,66 1,67 1.5,68 0.983,69 1,70 5.5}
{0 CHEMBL1983963,2 1.953,3 3.514,5 11.852,6 3.718,7 3.332,8 3.574,9 2.94,10 7.193,11 3.459,12 3.779,13 0.193,14 0.009,15 14.135,16 3.525,17 3.367,18 320,19 3.384,20 359.42,21 4.587,22 3.452,23 703,24 7.122,25 14.562,26 18.803,27 103.173,28 17.218,29 5.817,30 218.705,31 305.06,32 15989,33 2.742,34 423.814,35 0.444,37 5.227,38 26.123,39 11.695,40 2.966,41 3.472,42 2.73,43 13.097,44 40.549,45 1.24,46 28348,47 99,48 8.328,49 5.145,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.673,55 182.806,56 437.807,57 3.462,58 2.936,59 6.862,60 1035,61 3.722,62 4.194,63 1.8,64 1.742,65 4.038,66 1,67 1.5,68 1,69 1,70 6.4}
{0 CHEMBL1983980,2 2.18,3 3.786,5 14.421,6 3.954,7 4.278,8 4.413,9 3.272,10 10.428,11 4.315,12 3.934,13 0.671,14 0.012,15 32.902,16 4.327,17 4.226,18 548,19 4.451,20 542.68,21 6.848,22 4.26,23 1222,24 8.221,25 21.681,26 26.932,27 149.087,28 24.956,29 13.308,30 328.149,31 443.52,32 38672,33 3.174,34 617.103,35 0.369,37 6.092,38 46.285,39 14.242,40 3.374,41 3.85,42 2.991,43 19.312,44 53.063,45 2.03,46 72490,47 207,48 13.601,49 13.308,50 2779.62,51 45828.7,52 210.816,53 34.442,54 4.939,55 259.436,56 624.784,57 3.889,58 3.331,59 7.535,60 2820,61 3.911,62 4.948,63 1.98,64 1.898,65 4.384,66 1.482,67 2.051,68 1.398,69 1.482,70 5.3}
{0 CHEMBL1984038,2 2.468,3 3.735,5 13.949,6 3.956,7 4.273,8 4.388,9 3.219,10 10.808,11 4.281,12 3.922,13 0.571,14 0.011,15 38.792,16 4.393,17 4.199,18 544,19 4.305,20 545.66,21 7.448,22 4.3,23 1169,24 8.299,25 22.602,26 27.983,27 150.239,28 26.875,29 14.216,30 334.891,31 474.79,32 39950,33 3.111,34 644.142,35 0.421,37 6.226,38 49.294,39 13.893,40 3.258,41 3.861,42 3.006,43 19.627,44 61.558,45 2.064,46 73197,47 176,48 13.836,49 15.967,50 2931.25,51 48814.2,52 217.545,53 34.963,54 5.544,55 269.416,56 649.136,57 3.878,58 3.429,59 5.38,60 2697,61 3.865,62 5.096,63 1.884,64 1.802,65 4.396,66 1.431,67 2.04,68 1.41,69 1.431,70 5.3}
{0 CHEMBL1984039,1 3.2,2 1.844,3 3.57,4 1,5 12.647,6 3.794,7 3.951,8 4.109,9 2.992,10 9.092,11 4.08,12 3.882,13 0.417,14 0.01,15 30.352,16 4.197,17 3.985,18 430,19 3.93,20 453.58,21 5.988,22 4.067,23 948,24 7.558,25 19.553,26 23.819,27 133.815,28 22.393,29 11.496,30 321.51,31 404.35,32 25575,33 3.008,34 572.645,35 0.423,37 5.963,38 35.498,39 13.661,40 3.309,41 3.766,42 2.961,43 16.452,44 50.056,45 1.707,46 42755,47 150,48 11.434,49 13.952,50 2128.52,51 32520.9,52 182.065,53 31.395,54 4.056,55 239.632,56 576.462,57 3.79,58 3.084,59 7.719,60 2160,61 3.763,62 4.894,63 1.902,64 1.727,65 4.266,66 1.397,67 1.906,68 1.344,69 1.397,70 5}
{0 CHEMBL1984044,1 3.234,2 2.101,3 3.514,5 11.846,6 3.73,7 3.33,8 3.5,9 2.936,10 8.344,11 3.644,12 3.597,13 0.225,14 0.011,15 19.897,16 3.696,17 3.506,18 308,19 3.494,20 352.48,21 5.914,22 3.596,23 648,24 7.146,25 15.158,26 18.518,27 102.141,28 18.428,29 7.169,30 237.928,31 325.24,32 13161,33 2.687,34 470.76,35 0.52,37 5.479,38 28.71,39 10.595,40 3.089,41 3.476,42 2.735,43 12.618,44 44.738,45 1.161,46 20361,47 110,48 8.861,49 6.961,50 1212.32,51 15836.8,52 129.884,53 25.595,54 4.257,55 192.188,56 460.698,57 3.499,58 2.518,59 6.862,60 1046,61 3.536,62 4.476,63 1.945,64 1.698,65 3.986,66 0.618,67 0.64,68 0.6,69 0.618,70 6}
{0 CHEMBL1984162,2 2.838,3 3.908,5 16.333,6 4.126,7 4.063,8 4.244,9 3.468,10 11.026,11 4.322,12 3.79,13 0.431,14 0.01,15 41.566,16 4.386,17 4.184,18 637,19 4.163,20 527.69,21 7.323,22 4.277,23 1411,24 9.125,25 22.477,26 26.932,27 150.581,28 25.902,29 14.509,30 385.97,31 455.93,32 39646,33 3.075,34 650.935,35 0.332,37 6.036,38 55.682,39 14.347,40 3.395,41 3.881,42 3.046,43 18.996,44 55.385,45 2.183,46 66167,47 266,48 13.344,49 13.616,50 3057.13,51 53107.9,52 220.739,53 35.621,54 5.279,55 271.935,56 655.282,57 3.887,58 3.311,59 7.662,60 3374,61 3.772,62 5.185,63 2.019,64 1.892,65 4.409,66 1.596,67 2.147,68 1.412,69 1.596,70 5.4}
{0 CHEMBL1984191,1 2.955,2 1.175,3 2.974,5 7.684,6 3.04,7 2.942,8 3.535,9 2.439,10 5.095,11 2.606,12 3.62,13 0.103,14 0.013,15 8.93,16 2.988,17 2.466,18 146,19 3.295,20 291.15,21 3.299,22 2.873,23 314,24 4.602,25 11.151,26 14.242,27 75.829,28 12.302,29 2.439,30 126.382,31 216.98,32 6168,33 2.493,34 311.096,35 0.792,37 4.476,38 11.213,39 9.762,40 2.656,41 3.107,42 2.092,43 9.831,44 27.686,45 0.778,46 12229,47 49,48 6.263,49 3.131,50 519.772,51 4991.99,52 81.151,53 18.703,54 2.382,55 133.714,56 318.023,57 3.114,58 2.305,59 6.605,60 417,61 3.42,62 3.265,63 1.408,64 1.303,65 3.689,66 -0.562,67 -0.721,68 -0.419,69 -0.562,70 6.2}
{0 CHEMBL1984236,1 3.05,2 1.633,3 3.32,5 10.095,6 3.466,7 3.367,8 3.609,9 2.784,10 6.299,11 3.251,12 3.894,13 0.132,14 0.008,15 13.275,16 3.15,17 3.095,18 212,19 3.303,20 363.31,21 4.426,22 3.032,23 454,24 5.949,25 14.125,26 16.173,27 94.349,28 14.755,29 4.464,30 156.608,31 261.59,32 8205,33 2.604,34 381.028,35 0.57,37 4.705,38 17.905,39 9.518,40 2.83,41 3.272,42 2.559,43 11.146,44 32.47,45 0.775,46 14238,47 65,48 8.131,49 3.648,50 727.833,51 7913.88,52 96.56,53 21.177,54 3.538,55 162.206,56 387.542,57 3.34,58 2.21,59 7.261,60 553,61 3.565,62 3.772,63 1.713,64 1.444,65 3.779,66 -0.022,67 -0.027,68 -0.02,69 -0.022,70 5.9}
{0 CHEMBL1984274,2 1.443,3 3.363,5 10.406,6 3.523,7 4.099,8 4.009,9 2.686,10 8.194,11 4.059,12 3.791,13 0.424,14 0.009,15 17.846,16 3.985,17 4.031,18 333,19 4.031,20 424.45,21 5.076,22 3.977,23 736,24 6.552,25 16.558,26 22.079,27 120.012,28 19.823,29 8.147,30 225.672,31 356.47,32 22509,33 2.799,34 486.724,35 0.495,37 6.031,38 28.41,39 12.275,40 3.166,41 3.616,42 2.735,43 15.631,44 45.39,45 1.676,46 41796,47 120,48 9.715,49 6.976,50 1747.47,51 25102.2,52 165.526,53 29.409,54 3.618,55 206.198,56 494.884,57 3.598,58 3.079,59 7.034,60 1810,61 3.805,62 4.69,63 2.001,64 1.894,65 4.212,66 1.173,67 1.663,68 1.135,69 1.173,70 5.9}
{0 CHEMBL1984296,2 1.266,3 3.162,5 8.846,6 3.31,7 3.548,8 3.828,9 2.507,10 6.68,11 3.853,12 3.785,13 0.262,14 0.009,15 18.542,16 3.901,17 3.732,18 230,19 3.724,20 342.42,21 4.215,22 3.822,23 503,24 5.639,25 14.615,26 18.096,27 100.472,28 16.406,29 8.1,30 220.705,31 306.66,32 11531,33 2.63,34 423.65,35 0.61,37 5.464,38 20.385,39 11.349,40 3.087,41 3.492,42 2.658,43 12.614,44 37.755,45 1.401,46 18990,47 82,48 8.439,49 8.448,50 1075.85,51 13190.6,52 125.009,53 24.643,54 3.239,55 181.608,56 434.884,57 3.514,58 2.79,59 6.293,60 1034,61 3.705,62 4.502,63 1.703,64 1.571,65 4.001,66 0.685,67 1.01,68 0.673,69 0.685,70 5.3}
{0 CHEMBL1984363,1 2.915,2 2,3 3.517,5 12.071,6 3.751,7 3.368,8 3.621,9 2.924,10 7.451,11 3.553,12 3.805,13 0.244,14 0.011,15 16.932,16 3.664,17 3.45,18 338,19 3.455,20 374.45,21 4.845,22 3.554,23 741,24 7.311,25 15.291,26 18.803,27 109.285,28 18.206,29 6.833,30 241.556,31 325.94,32 17716,33 2.808,34 443.397,35 0.437,37 5.321,38 27.571,39 11.774,40 3.003,41 3.54,42 2.735,43 13.097,44 42.798,45 1.552,46 31807,47 114,48 8.89,49 7.224,50 1417.85,51 19433.7,52 142.921,53 27.159,54 3.785,55 192.399,56 461.213,57 3.554,58 2.874,59 6.823,60 1168,61 3.789,62 4.313,63 1.924,64 1.81,65 4.07,66 1,67 1.5,68 1,69 1,70 5.2}
{0 CHEMBL1984367,1 3.073,2 1.975,3 3.591,5 12.333,6 3.758,7 3.447,8 3.766,9 3.106,10 7.629,11 3.537,12 3.823,13 0.235,14 0.01,15 20.002,16 3.65,17 3.43,18 333,19 3.616,20 376.52,21 5.057,22 3.529,23 729,24 7.18,25 16.008,26 19.156,27 112.392,28 17.897,29 6.479,30 222.801,31 323.72,32 15087,33 2.687,34 457.262,35 0.444,37 5.35,38 27.813,39 11.429,40 3.146,41 3.53,42 2.735,43 13.522,44 40.518,45 1.266,46 24900,47 113,48 9.511,49 6.688,50 1319.18,51 17494.2,52 136.226,53 26.391,54 3.798,55 195.666,56 469.186,57 3.579,58 2.668,59 7.526,60 1150,61 3.786,62 4.302,63 1.755,64 1.602,65 4.036,66 1,67 1.491,68 1,69 1,70 6}
{0 CHEMBL1984548,2 1.58,3 3.252,5 9.542,6 3.412,7 3.444,8 3.833,9 2.705,10 6.967,11 3.316,12 3.834,13 0.224,14 0.012,15 18.853,16 3.506,17 3.231,18 229,19 3.821,20 343.81,21 4.758,22 3.471,23 485,24 5.879,25 13.45,26 17.604,27 91.924,28 16.392,29 4.464,30 190.666,31 275.52,32 11348,33 2.573,34 397.509,35 0.632,37 5.407,38 19.667,39 10.098,40 2.965,41 3.292,42 2.515,43 11.814,44 39.197,45 1.297,46 21081,47 86,48 7.346,49 4.478,50 941.627,51 11148.6,52 114.045,53 23.383,54 3.908,55 166.018,56 396.844,57 3.271,58 2.621,59 6.529,60 840,61 3.607,62 4.121,63 1.718,64 1.523,65 3.906,66 0.334,67 0.41,68 0.256,69 0.334,70 7.4}
{0 CHEMBL1984586,2 1.923,3 3.494,5 11.815,6 3.695,7 3.345,8 3.547,9 2.898,10 7.193,11 3.496,12 3.779,13 0.156,14 0.007,15 13.311,16 3.546,17 3.4,18 319,19 3.4,20 359.42,21 4.587,22 3.464,23 701,24 7.044,25 14.562,26 18.803,27 103.173,28 17.218,29 5.808,30 218.705,31 305.06,32 15870,33 2.746,34 423.814,35 0.45,37 5.262,38 25.624,39 11.725,40 2.965,41 3.472,42 2.73,43 13.114,44 40.532,45 1.472,46 28188,47 97,48 8.334,49 5.438,50 1297.01,51 17197,52 135.831,53 26.306,54 3.535,55 182.806,56 437.807,57 3.462,58 2.929,59 6.862,60 1022,61 3.722,62 4.198,63 1.8,64 1.742,65 4.038,66 1,67 1.5,68 1,69 1,70 5.5}
{0 CHEMBL1984633,2 1.726,3 3.426,5 10.792,6 3.556,7 3.392,8 3.594,9 2.907,10 7.54,11 3.384,12 3.72,13 0.199,14 0.01,15 17.044,16 3.512,17 3.282,18 259,19 3.491,20 339.45,21 5.213,22 3.404,23 553,24 6.33,25 14.209,26 17.295,27 94.516,28 16.593,29 5.838,30 202.15,31 295.51,32 11197,33 2.597,34 429.657,35 0.566,37 5.262,38 21.194,39 9.758,40 2.961,41 3.384,42 2.652,43 12.077,44 39.429,45 1.017,46 19427,47 84,48 8.298,49 6.578,50 981.571,51 11786.8,52 115.453,53 23.722,54 3.998,55 174.412,56 417.326,57 3.426,58 2.431,59 6.605,60 820,61 3.612,62 4.153,63 1.736,64 1.558,65 3.908,66 0.645,67 0.952,68 0.525,69 0.645,70 5}
{0 CHEMBL1984686,2 1.247,3 3.025,5 7.889,6 3.117,7 3.218,8 3.48,9 2.489,10 4.807,11 2.744,12 3.76,13 0.086,14 0.009,15 5.702,16 2.911,17 2.628,18 142,19 3.051,20 301.16,21 3.01,22 2.799,23 310,24 4.807,25 10.924,26 13.372,27 73.784,28 11.27,29 2.339,30 128.382,31 205.84,32 5316,33 2.361,34 295.442,35 0.698,37 4.371,38 11.778,39 9.838,40 2.769,41 3.075,42 2.292,43 9.387,44 25.82,45 0.295,46 9878,47 46,48 6.188,49 2.863,50 476.914,51 4476.19,52 76.377,53 18.126,54 2.555,55 128.963,56 306.429,57 3.092,58 2.326,60 340,61 3.346,62 3.302,63 1.491,64 1.388,65 3.645,66 -0.538,67 -0.75,68 -0.51,69 -0.538,70 5.3}
{0 CHEMBL1984700,2 1.543,3 3.318,5 10.303,6 3.535,7 4.145,8 4.356,9 2.717,10 9.009,11 4.116,12 3.769,13 0.635,14 0.014,15 32.254,16 4.24,17 4.063,18 340,19 4.282,20 454.53,21 6.287,22 4.202,23 716,24 6.529,25 18.673,26 22.01,27 120.303,28 23.03,29 10.762,30 295.455,31 382.74,32 22860,33 2.865,34 569.588,35 0.61,37 6.192,38 33.851,39 12.273,40 3.211,41 3.65,42 2.733,43 14.815,44 53.787,45 1.83,46 40425,47 139,48 10.41,49 11.672,50 1866.48,51 26970.5,52 171.471,53 29.958,54 5.105,55 223.701,56 537.591,57 3.635,58 3.103,59 7.081,60 2113,61 3.629,62 4.98,63 1.924,64 1.743,65 4.222,66 1.256,67 1.792,68 1.185,69 1.256,70 5.6}
{0 CHEMBL1984711,2 2.104,3 3.675,5 13.226,6 3.859,7 3.758,8 3.907,9 3.1,10 10.201,11 3.79,12 3.747,13 0.218,14 0.007,15 24.545,16 3.857,17 3.737,18 410,19 3.806,20 425.54,21 7.146,22 3.777,23 883,24 7.753,25 17.974,26 21.631,27 115.833,28 21.715,29 6.75,30 270.969,31 376.06,32 21465,33 2.923,34 548.966,35 0.434,37 5.634,38 33.521,39 11.044,40 3.144,41 3.62,42 2.905,43 15.195,44 49.634,45 1.703,46 35360,47 140,48 10.336,49 8.153,50 1794.63,51 26495.4,52 163.516,53 29.53,54 5.222,55 218.766,56 525.548,57 3.613,58 2.972,59 6.581,60 1644,61 3.644,62 4.659,63 1.823,64 1.733,65 4.17,66 1.057,67 1.182,68 1,69 1.057,70 5.3}
{0 CHEMBL1984760,1 2.902,2 2.003,3 3.552,4 1,5 12.464,6 3.756,7 3.486,8 3.884,9 3.071,10 8.617,11 3.605,12 3.601,13 0.247,14 0.011,15 22.623,16 3.734,17 3.517,18 349,19 3.928,20 391.44,21 6.203,22 3.713,23 729,24 7.196,25 15.229,26 17.648,27 99.546,28 20.158,29 7.538,30 242.568,31 328.36,32 18403,33 2.687,34 458.826,35 0.542,37 5.757,38 31.061,39 10.523,40 3.152,41 3.475,42 2.735,43 12.207,44 49.839,45 1.179,46 34033,47 144,48 8.915,49 7.489,50 1419.71,51 19325.8,52 142.55,53 27.07,54 5.467,55 188.988,56 452.89,57 3.461,58 2.982,59 6.605,60 1328,61 3.465,62 4.534,63 1.91,64 1.633,65 4.053,66 0.938,67 1.203,68 0.886,69 0.938,70 5.3}
{0 CHEMBL1984788,1 3.032,2 1.769,3 3.318,5 10.231,6 3.494,7 3.666,8 3.639,9 2.782,10 6.897,11 3.427,12 3.672,13 0.183,14 0.008,15 18.788,16 3.545,17 3.383,18 266,19 3.665,20 372.86,21 4.593,22 3.505,23 581,24 6.127,25 14.737,26 17.889,27 98.527,28 17.317,29 5.304,30 230.215,31 308.07,32 13205,33 2.799,34 418.689,35 0.552,37 5.817,38 23.385,39 10.934,40 2.977,41 3.473,42 2.733,43 12.403,44 38.096,45 1.376,46 23474,47 96,48 8.901,49 6.383,50 1135.44,51 13883.4,52 126.421,53 24.935,54 3.324,55 180.737,56 432.757,57 3.486,58 2.823,59 6.862,60 936,61 3.593,62 4.268,63 1.899,64 1.729,65 4,66 1,67 1,68 0.951,69 1,70 6.4}
{0 CHEMBL1984842,2 1.737,3 3.468,5 11.529,6 3.66,7 4.116,8 4.356,9 2.918,10 10.043,11 4.264,12 3.775,13 0.586,14 0.013,15 37.288,16 4.346,17 4.162,18 392,19 4.261,20 464.6,21 7.107,22 4.283,23 825,24 6.977,25 19.787,26 23.424,27 129.233,28 24.06,29 12.795,30 327.549,31 411.27,32 23977,33 2.915,34 618.431,35 0.568,37 6.142,38 39.301,39 12.233,40 3.234,41 3.717,42 2.805,43 15.876,44 56.397,45 1.558,46 39616,47 164,48 11.212,49 11.715,50 2053.02,51 30707.1,52 179.723,53 30.966,54 5.541,55 241.688,56 581.478,57 3.726,58 3.166,59 7.081,60 2370,61 3.675,62 5.102,63 1.972,64 1.786,65 4.253,66 1.128,67 1.656,68 1.055,69 1.128,70 5.4}
{0 CHEMBL1984847,2 1.344,3 3.078,5 8.741,6 3.283,7 4.417,8 4.284,9 2.541,10 7.49,11 3.553,12 3.693,13 0.427,14 0.015,15 48.84,16 3.77,17 3.553,18 236,19 4.333,20 444.23,21 5.452,22 3.783,23 488,24 5.561,25 15.518,26 18.267,27 94.456,28 19.652,29 9.695,30 199.367,31 319.52,32 15597,33 2.694,34 430.084,35 0.796,37 6.197,38 24.37,39 9.763,40 3.267,41 3.395,42 2.66,43 12.03,44 46.424,45 1.51,46 32618,47 104,48 8.562,49 9.438,50 1152.33,51 14339,52 130.468,53 25.193,54 4.254,55 176.121,56 421.495,57 3.361,58 3.05,59 7.066,60 1125,61 3.406,62 4.549,63 1.758,64 1.57,65 4.013,66 0.837,67 1.037,68 0.784,69 0.837,70 5.3}
{0 CHEMBL1985074,2 1.123,3 2.798,5 6.889,6 2.854,7 2.414,8 3.134,9 2.288,10 4.54,11 2.44,12 3.538,13 0.057,14 0.014,15 9.232,16 2.904,17 2.192,18 124,19 2.7,20 278.78,21 3.019,22 2.673,23 267,24 4.098,25 11.36,26 13.552,27 74.105,28 11.969,29 3.096,30 132.127,31 223.25,32 4563,33 2.447,34 309.695,35 0.931,37 4.009,38 9.852,39 9.265,40 2.828,41 3.137,42 2.17,43 9.549,44 25.569,45 1.091,46 8148,47 46,48 7.251,49 4.281,50 436.653,51 3916.98,52 73.854,53 17.433,54 1.941,55 132.775,56 315.731,57 3.2,58 2.35,60 264,61 3.241,62 3.192,63 1.523,64 1.273,65 3.639,66 -0.529,67 -0.615,68 -0.481,69 -0.529,70 5.1}
{0 CHEMBL1985092,1 3.068,2 1.465,3 3.208,5 9.185,6 3.374,7 3.803,8 3.981,9 2.696,10 7.446,11 3.919,12 3.793,13 0.336,14 0.011,15 22.417,16 3.991,17 3.801,18 248,19 3.991,20 377.85,21 4.857,22 3.91,23 537,24 5.863,25 14.904,26 19.303,27 106.888,28 17.613,29 9.088,30 199.329,31 315.57,32 14341,33 2.737,34 451.719,35 0.607,37 5.721,38 24.335,39 10.761,40 2.908,41 3.498,42 2.735,43 13.386,44 39.823,45 1.212,46 26557,47 103,48 8.675,49 8.435,50 1184.32,51 15019.2,52 131.815,53 25.532,54 3.83,55 187.143,56 448.389,57 3.509,58 2.962,59 6.843,60 1268,61 3.787,62 4.603,63 1.955,64 1.848,65 4.038,66 1,67 1.5,68 1,69 1,70 6}
{0 CHEMBL1985095,1 3.132,2 1.469,3 3.356,4 1,5 10.25,6 3.501,7 4.11,8 4.244,9 2.735,10 7.312,11 4.087,12 3.968,13 0.353,14 0.008,15 22.544,16 4.17,17 4.011,18 328,19 4.236,20 439.54,21 4.401,22 4.113,23 741,24 6.314,25 17.557,26 22.173,27 126.486,28 19.259,29 9.238,30 267.121,31 336.88,32 21544,33 2.923,34 457.691,35 0.481,37 5.95,38 28.75,39 14.766,40 3.35,41 3.668,42 2.851,43 15.972,44 41.072,45 1.549,46 39845,47 113,48 10.744,49 9.397,50 1736.33,51 24140.9,52 164.222,53 29.161,54 3.243,55 211.665,56 508.223,57 3.683,58 3.265,59 7.947,60 1686,61 3.86,62 4.773,63 1.878,64 1.808,65 4.224,66 1.399,67 1.998,68 1.343,69 1.399,70 7.1}
{0 CHEMBL1985129,1 2.882,2 1.408,3 3.298,5 9.96,6 3.4,7 3.324,8 3.561,9 2.725,10 5.958,11 3.421,12 3.683,13 0.196,14 0.009,15 11.931,16 3.601,17 3.356,18 249,19 3.464,20 326.38,21 3.629,22 3.52,23 545,24 5.756,25 13.485,26 17.389,27 96.556,28 15.23,29 4.737,30 192.621,31 282.63,32 11515,33 2.702,34 398.794,35 0.583,37 5.31,38 19.392,39 12.127,40 3.014,41 3.422,42 2.695,43 12.152,44 35.877,45 1.281,46 20531,47 89,48 7.812,49 6.002,50 1020.14,51 12002.4,52 119.255,53 23.937,54 2.704,55 169.088,56 404.336,57 3.432,58 2.928,59 6.862,60 854,61 3.679,62 4.122,63 1.872,64 1.756,65 3.966,66 0.776,67 1.109,68 0.76,69 0.776,70 5.3}
{0 CHEMBL1985153,2 1.604,3 3.262,5 9.625,6 3.437,7 3.252,8 3.627,9 2.657,10 7.6,11 3.445,12 3.677,13 0.18,14 0.01,15 18.926,16 3.591,17 3.325,18 231,19 3.482,20 327.43,21 5.283,22 3.515,23 490,24 6.013,25 13.274,26 16.941,27 92.453,28 16.681,29 5.377,30 225.133,31 297.88,32 10249,33 2.65,34 436.302,35 0.605,37 5.463,38 19.583,39 9.415,40 2.994,41 3.383,42 2.596,43 11.631,44 39.271,45 1.308,46 16775,47 74,48 8.078,49 5.579,50 948.664,51 11351,52 114.539,53 23.478,54 4.232,55 173.132,56 414.203,57 3.393,58 2.443,60 798,61 3.603,62 4.38,63 1.808,64 1.703,65 3.911,66 0.189,67 0.201,68 0.177,69 0.189,70 5}
{0 CHEMBL1985206,1 3.209,2 1.525,3 3.162,5 9.136,6 3.283,7 3.078,8 3.463,9 2.674,10 5.623,11 3.321,12 3.63,13 0.116,14 0.008,15 12.588,16 3.495,17 3.165,18 201,19 3.405,20 306.41,21 3.476,22 3.351,23 445,24 5.289,25 12.959,26 15.295,27 92.167,28 13.6,29 5.155,30 177.362,31 263.36,32 7919,33 2.627,34 355.344,35 0.636,37 4.907,38 18.463,39 11.034,40 2.892,41 3.351,42 2.418,43 11.335,44 29.857,45 1.283,46 13492,47 86,48 7.974,49 6.398,50 758.468,51 8069.3,52 99.932,53 21.458,54 2.279,55 156.228,56 372.957,57 3.402,58 2.5,59 7.881,60 580,61 3.531,62 3.958,63 1.691,64 1.484,65 3.849,66 0.618,67 0.927,68 0.506,69 0.618,70 5.3}
{0 CHEMBL1985367,2 1.351,3 3.135,5 8.619,6 3.253,7 2.976,8 3.388,9 2.547,10 5.82,11 3.366,12 3.657,13 0.099,14 0.007,15 14.382,16 3.523,17 3.205,18 181,19 3.199,20 276.37,21 3.718,22 3.392,23 389,24 5.281,25 12.038,26 14.656,27 81.608,28 13.413,29 5.635,30 172.485,31 253.12,32 6714,33 2.625,34 363.553,35 0.672,37 4.994,38 15.029,39 9.867,40 2.851,41 3.266,42 2.652,43 10.204,44 32.118,45 1,46 10546,47 58,48 6.814,49 5.677,50 683.098,51 7259.72,52 94.659,53 20.782,54 3.305,55 152.491,56 363.837,57 3.294,58 2.656,60 554,61 3.612,62 4.149,63 1.848,64 1.703,65 3.786,66 -0.385,67 -0.493,68 -0.37,69 -0.385,70 6.3}
{0 CHEMBL1985406,1 2.758,2 1.535,3 3.205,5 9.304,6 3.336,7 3.232,8 3.57,9 2.703,10 6.371,11 3.224,12 3.569,13 0.205,14 0.012,15 14.534,16 3.402,17 3.16,18 214,19 3.516,20 315.35,21 4.287,22 3.379,23 450,24 5.526,25 12.49,26 14.656,27 82.956,28 15.479,29 4.737,30 188.666,31 265.69,32 9600,33 2.626,34 366.541,35 0.692,37 5.47,38 18.609,39 10.311,40 2.875,41 3.312,42 2.518,43 10.275,44 36.751,45 1.267,46 17285,47 87,48 7.322,49 4.879,50 844.011,51 9446.67,52 106.769,53 22.33,54 3.046,55 155.016,56 370,57 3.311,58 2.446,59 6.823,60 690,61 3.527,62 4.154,63 1.855,64 1.674,65 3.867,66 0.151,67 0.177,68 0.126,69 0.151,70 5.8}
{0 CHEMBL1985469,2 1.646,3 3.412,5 10.875,6 3.575,7 3.311,8 3.384,9 2.892,10 7.033,11 3.371,12 3.568,13 0.197,14 0.009,15 15.493,16 3.378,17 3.319,18 261,19 3.365,20 324.42,21 4.833,22 3.332,23 558,24 6.407,25 13.667,26 17.104,27 94.304,28 16.493,29 4.804,30 192.441,31 301.54,32 10647,33 2.687,34 423.129,35 0.555,37 5.408,38 20.25,39 9.219,40 2.879,41 3.379,42 2.659,43 11.525,44 39.521,45 1.441,46 17436,47 86,48 7.764,49 4.561,50 986.751,51 11859.9,52 115.633,53 23.739,54 3.953,55 173.003,56 413.887,57 3.392,58 2.662,60 794,61 3.496,62 4.214,63 1.785,64 1.606,65 3.908,66 0.146,67 0.17,68 0.141,69 0.146,70 5.3}
{0 CHEMBL1985654,1 3.195,2 1.453,3 3.223,4 1,5 9.32,6 3.36,7 3.641,8 4.051,9 2.695,10 8.518,11 3.746,12 3.576,13 0.177,14 0.007,15 28.05,16 3.886,17 3.614,18 233,19 3.931,20 360.88,21 6.129,22 3.773,23 490,24 5.725,25 15.085,26 18.148,27 100.615,28 17.987,29 8.594,30 214.574,31 308.49,32 11063,33 2.737,34 457.273,35 0.691,36 1,37 5.523,38 21.248,39 10.326,40 3.189,41 3.409,42 2.752,43 12.513,44 41.487,45 1.374,46 18793,47 87,48 8.433,49 9.257,50 1008.01,51 12139.3,52 119.392,53 23.982,54 4.236,55 184.263,56 441.362,57 3.419,58 2.512,59 6.843,60 880,61 3.431,62 4.65,63 1.793,64 1.594,65 3.951,66 0.487,67 0.719,68 0.458,69 0.487,70 7.7}
{0 CHEMBL1985681,2 1.285,3 3.104,5 8.565,6 3.212,7 3.211,8 3.481,9 2.512,10 5.278,11 3.311,12 3.5,13 0.199,14 0.011,15 13.457,16 3.45,17 3.231,18 197,19 3.389,20 305.36,21 3.232,22 3.393,23 434,24 5.142,25 12.413,26 15.974,27 84.256,28 14.085,29 4.995,30 193.421,31 275.54,32 8669,33 2.58,34 380.826,35 0.659,37 5.461,38 16.223,39 10.13,40 2.98,41 3.368,42 2.601,43 11.169,44 31.738,45 1.528,46 15128,47 72,48 7.698,49 5.185,50 812.74,51 8845.66,52 105.284,53 22.029,54 2.242,55 155.888,56 372.126,57 3.381,58 2.769,59 7.034,60 670,61 3.454,62 4.133,63 1.753,64 1.577,65 3.888,66 0.408,67 0.618,68 0.389,69 0.408,70 6.5}
{0 CHEMBL1985723,1 3.179,2 1.49,3 3.181,4 1,5 9.261,6 3.337,7 3.366,8 3.784,9 2.666,10 6.379,11 3.553,12 3.657,13 0.215,14 0.013,15 26.457,16 3.678,17 3.377,18 213,19 3.71,20 329.87,21 4.463,22 3.545,23 452,24 5.565,25 13.984,26 16.949,27 95.867,28 16.092,29 6.669,30 209.82,31 284.61,32 8651,33 2.664,34 422.672,35 0.674,36 1,37 5.316,38 17.951,39 10.192,40 2.948,41 3.365,42 2.618,43 11.271,44 36.775,45 0.963,46 13841,47 77,48 7.902,49 6.748,50 844.158,51 9524.41,52 107.001,53 22.382,54 3.594,55 173.473,56 415.033,57 3.398,58 2.513,59 6.843,60 710,61 3.626,62 4.305,63 1.853,64 1.741,65 3.865,66 0.34,67 0.348,68 0.316,69 0.34,70 6.8}
{0 CHEMBL1986139,2 1.003,3 2.768,5 6.647,6 2.871,7 2.364,8 3.266,9 2.133,10 4.492,11 2.469,12 3.498,13 0.03,14 0.007,15 10.415,16 3.053,17 2.199,18 113,19 3.088,20 261.75,21 2.849,22 2.858,23 248,24 4.227,25 10.295,26 12.518,27 71.596,28 10.781,29 2.919,30 105.342,31 194.62,32 4336,33 2.195,34 279.53,35 0.826,37 4.096,38 8.865,39 9.49,40 2.687,41 3.047,42 2.013,43 9.086,44 23.662,45 0.319,46 7923,47 41,48 6.299,49 3.554,50 390.441,51 3494.06,52 69.256,53 16.887,54 2.07,55 123.053,56 292.01,57 3.099,58 2.07,59 6.823,60 302,61 3.156,62 3.143,63 1.309,64 1.369,65 3.59,66 -0.623,67 -0.853,68 -0.582,69 -0.623,70 5.2}
{0 CHEMBL1986143,2 1.776,3 3.414,5 10.92,6 3.58,7 3.28,8 3.636,9 2.855,10 8.339,11 3.529,12 3.685,13 0.168,14 0.008,15 17.793,16 3.683,17 3.417,18 273,19 3.481,20 332.43,21 5.682,22 3.583,23 581,24 6.482,25 13.8,26 17.485,27 97.955,28 17.032,29 6.731,30 212.379,31 315.26,32 11839,33 2.687,34 456.819,35 0.563,37 5.459,38 23.683,39 9.778,40 2.851,41 3.453,42 2.735,43 12.275,44 41.861,45 1.125,46 19773,47 92,48 8.248,49 7.766,50 1073.87,51 13360.9,52 121.957,53 24.588,54 4.386,55 182.337,56 436.661,57 3.487,58 2.395,60 927,61 3.639,62 4.353,63 1.841,64 1.718,65 3.952,66 1,67 1.461,68 0.983,69 1,70 5.3}
{0 CHEMBL1986177,2 2.276,3 3.623,5 12.821,6 3.875,7 4.028,8 3.852,9 3.023,10 9.009,11 3.686,12 3.994,13 0.188,14 0.007,15 21.388,16 3.673,17 3.531,18 359,19 3.849,20 430.98,21 6.221,22 3.556,23 789,24 7.942,25 16.866,26 20.554,27 114.828,28 19.335,29 6.904,30 229.329,31 327.54,32 20936,33 2.895,34 467.438,35 0.382,37 5.355,38 29.837,39 11.334,40 3.28,41 3.509,42 2.712,43 14.867,44 42.847,45 1.338,46 41068,47 108,48 10.51,49 6.602,50 1464.62,51 21034.2,52 145.183,53 27.632,54 5.099,55 199.942,56 479.618,57 3.557,58 2.835,59 7.273,60 1280,61 3.817,62 4.169,63 1.766,64 1.615,65 4.073,66 1,67 1.35,68 0.874,69 1,70 5.3}
{0 CHEMBL1986186,2 1.26,3 3.015,5 7.95,6 3.153,7 2.864,8 3.532,9 2.484,10 5.275,11 3.308,12 3.605,13 0.173,14 0.014,15 17.132,16 3.405,17 3.144,18 159,19 3.255,20 273.37,21 3.845,22 3.339,23 321,24 5.042,25 12.123,26 14.914,27 78.31,28 14.575,29 5.677,30 156.092,31 267.18,32 5812,33 2.499,34 416.45,35 0.875,37 5.284,38 14,39 8.573,40 2.687,41 3.212,42 2.591,43 9.304,44 36.268,45 0.831,46 8775,47 56,48 6.503,49 5.261,50 599.094,51 6213.83,52 88.352,53 19.794,54 3.031,55 150.68,56 359.419,57 3.238,58 2.209,60 510,61 3.592,62 4.261,63 1.762,64 1.671,65 3.7,66 -0.852,67 -0.922,68 -0.795,69 -0.852,70 5}
{0 CHEMBL1986263,2 1.507,3 3.322,5 10.083,6 3.447,7 3.382,8 3.609,9 2.736,10 7.241,11 3.477,12 3.679,13 0.243,14 0.012,15 17.426,16 3.554,17 3.353,18 242,19 3.507,20 342.46,21 5.071,22 3.45,23 511,24 5.942,25 14.554,26 17.458,27 97.172,28 16.806,29 5.852,30 210.213,31 302.75,32 10494,33 2.65,34 430.28,35 0.627,37 5.188,38 19.292,39 9.645,40 3.034,41 3.368,42 2.624,43 12.026,44 39.303,45 1.307,46 17855,47 84,48 8.384,49 5.875,50 951.346,51 11181.5,52 114.147,53 23.367,54 3.576,55 174.541,56 417.641,57 3.401,58 2.623,59 7.002,60 756,61 3.507,62 4.202,63 1.806,64 1.584,65 3.908,66 0.431,67 0.482,68 0.369,69 0.431,70 7.4}
{0 CHEMBL1986265,2 2.313,3 3.588,5 12.519,6 3.824,7 3.831,8 3.722,9 3.102,10 7.992,11 3.452,12 3.769,13 0.267,14 0.01,15 19.712,16 3.582,17 3.458,18 338,19 3.698,20 399.82,21 5.873,22 3.517,23 711,24 7.555,25 14.926,26 17.604,27 95.327,28 19.842,29 6.278,30 216.705,31 330.69,32 19347,33 2.777,34 458.532,35 0.484,37 5.827,38 29.523,39 9.446,40 3.184,41 3.452,42 2.679,43 11.797,44 47.396,45 1.452,46 39530,47 115,48 8.625,49 6.871,50 1342.19,51 18338.6,52 137.517,53 26.599,54 5.083,55 181.063,56 433.555,57 3.439,58 2.924,60 1171,61 3.672,62 4.294,63 1.908,64 1.775,65 4.011,66 0.664,67 0.767,68 0.597,69 0.664,70 5.3}
{0 CHEMBL1986328,2 1.615,3 3.219,5 9.5,6 3.403,7 3.278,8 3.868,9 2.69,10 6.75,11 3.468,12 3.77,13 0.215,14 0.011,15 17.942,16 3.797,17 3.355,18 247,19 3.635,20 348.39,21 4.288,22 3.702,23 537,24 5.861,25 14.263,26 18.096,27 93.313,28 16.517,29 6.214,30 188.968,31 288.19,32 12657,33 2.557,34 409.77,35 0.594,37 5.334,38 23.846,39 11.115,40 2.924,41 3.419,42 2.618,43 12.614,44 37.858,45 1.233,46 22345,47 90,48 7.995,49 8.246,50 1105.84,51 13510.7,52 125.579,53 24.755,54 3.28,55 173.343,56 414.718,57 3.396,58 2.813,59 6.986,60 912,61 3.663,62 4.369,63 1.707,64 1.517,65 4,66 0.666,67 0.985,68 0.641,69 0.666,70 5.7}
{0 CHEMBL1986499,1 2.791,2 1.529,3 3.228,5 9.345,6 3.416,7 3.836,8 4.021,9 2.705,10 7.154,11 3.998,12 3.81,13 0.294,14 0.008,15 20.93,16 4.055,17 3.912,18 271,19 4.025,20 384.45,21 4.34,22 3.994,23 605,24 6.06,25 15.379,26 18.924,27 112.832,28 17.595,29 9.011,30 228.574,31 313.25,32 16701,33 2.758,34 428.016,35 0.532,37 5.779,38 26.904,39 12.052,40 2.946,41 3.561,42 2.735,43 13.793,44 39.251,45 1.35,46 30159,47 111,48 9.162,49 8.849,50 1386.99,51 18409,52 144.717,53 27.067,54 3.281,55 191.67,56 459.435,57 3.563,58 2.89,59 7.516,60 1485,61 3.818,62 4.673,63 1.964,64 1.866,65 4.121,66 1,67 1.5,68 1,69 1,70 6.1}
{0 CHEMBL1986503,2 0.98,3 2.505,5 5.357,6 2.521,8 2.324,9 1.985,10 2.674,12 3.236,16 0.935,18 75,19 2.065,20 206.61,21 1.478,22 0.976,23 168,24 3.348,25 7.549,26 10.044,27 54.688,28 7.738,30 69.487,31 125.25,32 2766,33 1.617,34 196.2,35 1.082,38 5.408,39 9.477,40 2.366,41 2.706,42 1.269,43 7.132,44 18.086,45 -0.555,46 5561,47 26,48 4.223,49 0.137,50 229.399,51 1720.11,52 51.034,53 13.67,54 1.091,55 87.271,56 204.701,57 2.644,58 1.88,59 6.605,60 138,61 2.837,63 1.16,64 0.997,65 3.41,66 -1.181,67 -1.68,68 -1.076,69 -1.181,70 5.3}
{0 CHEMBL1986530,2 2.248,3 3.671,5 13.182,6 3.859,7 3.942,8 3.992,9 3.095,10 9.405,11 3.929,12 3.812,13 0.444,14 0.011,15 27.454,16 4.06,17 3.87,18 435,19 3.976,20 448.55,21 6.192,22 3.97,23 966,24 7.741,25 18.259,26 21.916,27 123.023,28 21.727,29 9.657,30 285.763,31 403.41,32 25934,33 2.866,34 535.151,35 0.401,37 5.923,38 36.4,39 11.035,40 3.211,41 3.696,42 2.941,43 15.687,44 47.967,45 1.878,46 46067,47 161,48 11.289,49 11.109,50 2037.37,51 30730.8,52 176.149,53 30.905,54 4.534,55 224.702,56 540.033,57 3.701,58 3.037,60 1988,61 3.692,62 4.788,63 1.951,64 1.8,65 4.242,66 1.153,67 1.5,68 1.103,69 1.153,70 6.3}
{0 CHEMBL1986590,1 3.225,2 0.995,3 2.976,4 1,5 7.85,6 3.057,7 2.714,8 3.305,9 2.339,10 4.272,11 3.038,12 3.423,13 0.061,14 0.006,15 9.429,16 3.254,17 2.91,18 157,19 3.12,20 260.31,21 2.425,22 3.186,23 355,24 4.694,25 10.682,26 13.527,27 79.037,28 11.355,29 3.762,30 152,31 227.55,32 5887,33 2.465,34 293.721,35 0.677,37 4.831,38 11.34,39 11.072,40 2.751,41 3.25,42 2.396,43 9.826,44 26.118,45 0.949,46 9908,47 48,48 6.514,49 3.855,50 580.762,51 5762.84,52 86.92,53 19.535,54 1.764,55 135.505,56 322.392,57 3.267,58 2.518,59 7.618,60 428,61 3.412,62 3.798,63 1.734,64 1.62,65 3.762,66 -0.102,67 -0.14,68 -0.101,69 -0.102,70 5.6}
{0 CHEMBL1986597,1 3.166,2 2.319,3 3.844,5 14.917,6 4.042,7 3.969,8 4.086,9 3.274,10 9.838,11 3.943,12 3.847,13 0.406,14 0.011,15 28.611,16 4.097,17 3.868,18 537,19 4.013,20 505.6,21 6.603,22 4.003,23 1179,24 8.781,25 19.917,26 25.536,27 132.841,28 24.162,29 10.085,30 307.076,31 421.44,32 36559,33 3.121,34 568.583,35 0.355,37 6.029,38 42.364,39 13.034,40 3.415,41 3.767,42 2.998,43 18.113,44 54.876,45 1.952,46 68863,47 164,48 12.651,49 11.112,50 2546.56,51 42245.4,52 199.626,53 33.452,54 4.928,55 243.567,56 586.063,57 3.78,58 3.199,59 6.862,60 2360,61 3.806,62 4.784,63 1.975,64 1.904,65 4.318,66 1.295,67 1.759,68 1.22,69 1.295,70 6.2}
{0 CHEMBL1986603,2 2.563,3 3.885,5 15.438,6 4.098,7 3.943,8 3.874,9 3.382,10 10.063,11 3.744,12 3.86,13 0.238,14 0.007,15 21.408,16 3.749,17 3.684,18 494,19 3.835,20 451.56,21 6.974,22 3.678,23 1074,24 8.98,25 18.271,26 22.855,27 121.184,28 22.178,29 7.132,30 282.07,31 371.66,32 28958,33 2.886,34 536.594,35 0.361,37 5.743,38 43.219,39 11.001,40 3.34,41 3.613,42 2.814,43 15.883,44 52.355,45 1.773,46 53672,47 168,48 10.653,49 7.377,50 2032.46,51 32497.1,52 173.982,53 31.042,54 5.822,55 221.114,56 531.279,57 3.622,58 3.135,59 7.662,60 2008,61 3.686,62 4.487,63 1.76,64 1.545,65 4.193,66 1.008,67 1.474,68 0.979,69 1.008,70 6.9}
{0 CHEMBL1986666,1 2.803,2 1.734,3 3.384,5 10.462,6 3.574,7 3.416,8 3.679,9 2.749,10 6.881,11 3.29,12 3.732,13 0.201,14 0.009,15 11.58,16 3.404,17 3.279,18 272,19 3.579,20 347.37,21 4.273,22 3.418,23 598,24 6.523,25 13.34,26 17.933,27 95.942,28 16.148,29 3.574,30 196.131,31 275.16,32 14773,33 2.653,34 395.596,35 0.484,37 5.446,38 22.515,39 11.922,40 2.955,41 3.376,42 2.516,43 12.687,44 38.143,45 1.311,46 28030,47 82,48 7.679,49 3.81,50 1161.64,51 14791.2,52 128.173,53 25.286,54 3.545,55 167.618,56 400.748,57 3.336,58 2.74,59 6.581,60 954,61 3.515,62 4.108,63 1.681,64 1.617,65 4.005,66 1,67 1.475,68 0.994,69 1,70 5.7}
{0 CHEMBL1986756,2 1.66,3 3.413,5 10.962,6 3.587,7 3.393,8 3.606,9 2.888,10 7.207,11 3.403,12 3.535,13 0.222,14 0.01,15 13.656,16 3.411,17 3.36,18 285,19 3.611,20 360.37,21 4.989,22 3.402,23 600,24 6.507,25 13.762,26 16.234,27 89.813,28 18,29 5.216,30 206.15,31 297.42,32 15065,33 2.641,34 407.162,35 0.576,37 5.369,38 21.633,39 10.544,40 3.055,41 3.386,42 2.554,43 11.152,44 44.481,45 1.189,46 28663,47 100,48 7.865,49 4.652,50 1165.68,51 14742.6,52 128.068,53 25.188,54 4.251,55 169.674,56 405.764,57 3.362,58 2.76,60 968,61 3.493,62 4.172,63 1.824,64 1.604,65 3.982,66 0.477,67 0.536,68 0.475,69 0.477,70 5.3}
{0 CHEMBL1986767,2 1.195,3 3.086,5 8.478,6 3.168,7 3.062,8 3.616,9 2.475,10 5.398,11 3.411,12 3.672,13 0.066,14 0.004,15 13.373,16 3.58,17 3.267,18 195,19 3.424,20 302.36,21 3.232,22 3.499,23 431,24 5.038,25 12.548,26 15.811,27 89.259,28 13.77,29 5.696,30 169.24,31 275.11,32 8432,33 2.687,34 360.21,35 0.682,37 5.155,38 17.134,39 10.315,40 2.769,41 3.334,42 2.596,43 11.237,44 31.62,45 1.082,46 14387,47 70,48 7.291,49 5.742,50 801.422,51 8751.43,52 104.966,53 22.035,54 2.326,55 155.758,56 371.811,57 3.338,58 2.577,59 7.05,60 688,61 3.567,62 4.152,63 1.697,64 1.568,65 3.889,66 0.894,67 1.28,68 0.887,69 0.894,70 5.9}
{0 CHEMBL1986781,2 1.761,3 3.531,5 12.194,6 3.712,7 3.851,8 4.076,9 3.017,10 8.217,11 3.835,12 3.805,13 0.343,14 0.01,15 24.242,16 3.96,17 3.777,18 378,19 3.94,20 420.49,21 5.264,22 3.903,23 837,24 7.015,25 16.955,26 20.501,27 113.137,28 19.86,29 7.78,30 263.668,31 347.01,32 21621,33 2.866,34 484.293,35 0.452,37 5.861,38 31.777,39 12.427,40 3.152,41 3.607,42 2.804,43 14.687,44 43.596,45 1.482,46 39322,47 145,48 10.153,49 8.528,50 1725.85,51 24269.1,52 160.608,53 29.022,54 3.967,55 205.517,56 493.223,57 3.591,58 3.164,59 7.535,60 1701,61 3.714,62 4.689,63 1.847,64 1.754,65 4.181,66 1.13,67 1.5,68 1.057,69 1.13,70 5.8}
{0 CHEMBL1986855,1 3.108,2 1.692,3 3.472,4 1,5 11.538,6 3.618,7 3.415,8 3.706,9 2.936,10 7.143,11 3.461,12 3.77,13 0.184,14 0.008,15 16.586,16 3.552,17 3.405,18 300,19 3.58,20 348.41,21 4.548,22 3.515,23 661,24 6.565,25 14.161,26 17.062,27 100.734,28 16.553,29 5.825,30 218.574,31 293.98,32 13826,33 2.687,34 407.896,35 0.489,37 5.445,38 23.231,39 11.698,40 2.965,41 3.45,42 2.689,43 12.331,44 38.167,45 1.229,46 24496,47 118,48 8.196,49 5.698,50 1175.85,51 14813.4,52 128.138,53 25.302,54 3.562,55 176.141,56 421.545,57 3.447,58 2.852,59 6.843,60 1014,61 3.675,62 4.289,63 1.863,64 1.771,65 4.005,66 0.788,67 0.893,68 0.72,69 0.788,70 8.1}
{0 CHEMBL1986869,2 1.824,3 3.384,5 10.6,6 3.518,7 3.463,8 3.879,9 2.884,10 6.581,11 3.424,12 3.822,13 0.221,14 0.01,15 11.863,16 3.57,17 3.325,18 265,19 3.681,20 367.49,21 4.277,22 3.467,23 583,24 6.148,25 14.818,26 18.096,27 100.796,28 16.246,29 4.943,30 181.911,31 284.03,32 12629,33 2.687,34 400.06,35 0.536,37 5.223,38 23.632,39 11.119,40 3.013,41 3.418,42 2.735,43 12.977,44 35.987,45 1.139,46 23319,47 90,48 9.141,49 5.88,50 1055.42,51 12650.8,52 120.543,53 24.306,54 3.173,55 175.222,56 419.302,57 3.472,58 2.676,59 7.506,60 849,61 3.754,62 4.001,63 1.745,64 1.559,65 3.963,66 0.742,67 1.071,68 0.606,69 0.742,70 5}
{0 CHEMBL1986899,2 1.917,3 3.477,5 11.409,6 3.615,7 2.915,8 3.245,9 2.936,10 6.506,11 3.176,12 3.693,13 0.209,14 0.015,15 13.114,16 3.332,17 3.053,18 251,19 3.118,20 292.38,21 4.268,22 3.22,23 540,24 6.522,25 12.383,26 14.493,27 88.729,28 14.432,29 4.824,30 180.621,31 271.79,32 9112,33 2.687,34 377.026,35 0.511,37 4.948,38 20.43,39 9.915,40 2.694,41 3.336,42 2.648,43 10.31,44 34.861,45 1,46 15117,47 80,48 7.22,49 5.268,50 834.979,51 9623.08,52 104.066,53 22.364,54 3.79,55 159.285,56 380.415,57 3.372,58 2.418,60 632,61 3.669,62 4.01,63 1.872,64 1.743,65 3.831,70 5.3}
{0 CHEMBL1986943,1 3.149,2 1.465,3 3.289,4 1,5 9.958,6 3.408,7 3.425,8 3.861,9 2.736,10 6.575,11 3.541,12 3.73,13 0.218,14 0.011,15 20.64,16 3.655,17 3.409,18 239,19 3.72,20 343.85,21 4.293,22 3.543,23 530,24 5.772,25 13.793,26 17.018,27 95.057,28 15.67,29 6.149,30 206.477,31 281.04,32 10407,33 2.772,34 415.415,35 0.56,36 1,37 5.208,38 18.833,39 10.598,40 3.027,41 3.399,42 2.601,43 11.975,44 33.843,45 1.037,46 18077,47 90,48 8.483,49 6.253,50 940.624,51 10888.1,52 113.484,53 23.316,54 3.356,55 170.075,56 406.744,57 3.411,58 2.678,59 6.843,60 776,61 3.605,62 4.247,63 1.789,64 1.718,65 3.929,66 0.489,67 0.721,68 0.458,69 0.489,70 8.5}
{0 CHEMBL1986970,1 2.935,2 1.463,3 3.247,5 9.414,6 3.44,7 3.897,8 4.07,9 2.682,10 8.558,11 4.076,12 3.765,13 0.313,14 0.008,15 27.236,16 4.079,17 3.979,18 273,19 4.038,20 390.49,21 5.698,22 4.019,23 590,24 6.168,25 16.37,26 20.217,27 113.192,28 19.31,29 10.21,30 263.029,31 336,32 16002,33 2.799,34 489.015,35 0.592,37 5.887,38 28.114,39 11.298,40 3.168,41 3.546,42 2.772,43 14.169,44 44.26,45 1.534,46 27169,47 126,48 9.324,49 9.828,50 1396.84,51 18770.2,52 145.212,53 27.178,54 4.066,55 202.12,56 484.934,57 3.549,58 2.591,59 7.413,60 1569,61 3.645,62 4.835,63 1.855,64 1.655,65 4.105,66 1.025,67 1.5,68 1,69 1.025,70 5}
{0 CHEMBL1987007,1 3.086,2 1.694,3 3.398,5 10.667,6 3.513,7 3.301,8 3.708,9 2.907,10 6.653,11 3.374,12 3.742,13 0.153,14 0.008,15 15.377,16 3.584,17 3.286,18 256,19 3.493,20 340.49,21 4.378,22 3.44,23 566,24 6.117,25 14.397,26 16.872,27 98.802,28 15.793,29 4.858,30 204.705,31 290.64,32 10105,33 2.687,34 412.193,35 0.522,37 5.246,38 21.479,39 10.283,40 2.922,41 3.438,42 2.735,43 12.112,44 33.986,45 1.077,46 16178,47 92,48 9.049,49 7.114,50 969.592,51 11368.8,52 114.541,53 23.558,54 3.267,55 175.672,56 420.399,57 3.492,58 2.653,59 7.526,60 786,61 3.697,62 4.16,63 1.677,64 1.584,65 3.927,66 0.901,67 1,68 0.846,69 0.901,70 5.6}
{0 CHEMBL1987009,1 3.061,2 1.84,3 3.515,5 11.577,6 3.655,7 3.503,8 3.749,9 2.95,10 7.4,11 3.444,12 3.822,13 0.137,14 0.006,15 15.229,16 3.6,17 3.373,18 301,19 3.617,20 363.47,21 4.823,22 3.483,23 661,24 6.745,25 14.969,26 18.286,27 104.427,28 16.947,29 5.514,30 212.574,31 304.21,32 13926,33 2.687,34 426.401,35 0.472,37 5.294,38 25.254,39 11.347,40 3.053,41 3.48,42 2.732,43 13.15,44 38.237,45 1.266,46 24245,47 104,48 9.005,49 7.075,50 1187.96,51 15145.8,52 128.747,53 25.418,54 3.575,55 183.276,56 438.953,57 3.519,58 2.666,59 7.526,60 1022,61 3.786,62 4.109,63 1.686,64 1.598,65 4.003,66 0.963,67 1.37,68 0.907,69 0.963,70 6.2}
{0 CHEMBL1987034,2 2.252,3 3.653,5 13.103,6 3.836,7 4.093,8 4.168,9 3.112,10 9.206,11 3.619,12 3.884,13 0.329,14 0.011,15 24.981,16 3.707,17 3.545,18 380,19 4.134,20 475.36,21 6.677,22 3.625,23 794,24 7.545,25 17.236,26 22.105,27 112.596,28 21.031,29 6.558,30 223.46,31 351.3,32 22021,33 2.834,34 494.141,35 0.516,37 5.505,38 32.031,39 11.01,40 3.396,41 3.497,42 2.735,43 15.318,44 52.67,45 1.64,46 44124,47 157,48 10.482,49 6.491,50 1557.49,51 21951.4,52 150.008,53 28.01,54 5.893,55 204.85,56 491.595,57 3.514,58 2.942,60 1462,61 3.679,62 4.257,63 1.713,64 1.703,65 4.088,66 1,67 1.5,68 1,69 1,70 7.2}
{0 CHEMBL1987073,1 2.893,2 2.243,3 3.713,5 13.548,6 3.868,7 3.782,8 4.004,9 3.232,10 8.343,11 3.808,12 3.895,13 0.25,14 0.008,15 15.592,16 3.844,17 3.734,18 420,19 3.86,20 428.91,21 5.246,22 3.792,23 933,24 7.693,25 17.044,26 21.709,27 120.961,28 19.493,29 6.479,30 244.568,31 345.84,32 23709,33 2.882,34 479.609,35 0.394,37 5.537,38 36.747,39 13.173,40 3.265,41 3.616,42 2.735,43 15.442,44 43.78,45 1.563,46 43892,47 145,48 10.029,49 6.531,50 1798.81,51 26220.9,52 163.088,53 29.542,54 4.217,55 209.466,56 502.857,57 3.622,58 3.119,59 7.402,60 1706,61 3.853,62 4.416,63 1.973,64 1.889,65 4.183,66 1.099,67 1.609,68 1.062,69 1.099,70 5.6}
{0 CHEMBL1987261,1 3.1,2 1.49,3 3.181,4 1,5 9.261,6 3.337,7 3.217,8 3.636,9 2.666,10 6.168,11 3.41,12 3.627,13 0.215,14 0.013,15 18.659,16 3.544,17 3.313,18 213,19 3.513,20 313.42,21 4.225,22 3.475,23 452,24 5.565,25 13.228,26 15.579,27 91.232,28 15.754,29 5.832,30 209.82,31 275.47,32 8651,33 2.599,34 404.103,35 0.674,37 5.568,38 17.951,39 10.192,40 2.853,41 3.349,42 2.618,43 10.588,44 36.775,45 0.963,46 13841,47 77,48 7.524,49 6.197,50 844.158,51 9524.41,52 107.001,53 22.382,54 3.453,55 166.338,56 397.625,57 3.367,58 2.513,59 6.843,60 710,61 3.618,62 4.332,63 1.858,64 1.74,65 3.865,66 0.34,67 0.348,68 0.316,69 0.34,70 6.8}
{0 CHEMBL1987359,2 2.071,3 3.378,5 11.308,6 3.528,7 3.503,8 3.736,9 3.013,10 8.519,11 3.751,12 3.518,13 0.258,14 0.011,15 25.071,16 3.88,17 3.626,18 294,19 3.603,20 355.48,21 6.121,22 3.757,23 610,24 6.143,25 15.047,26 18.518,27 102.75,28 18.68,29 8.239,30 262.539,31 336.57,32 11449,33 2.832,34 484.465,35 0.691,37 5.871,38 29.03,39 10.055,40 3.091,41 3.491,42 2.666,43 12.685,44 44.258,45 1.394,46 17719,47 122,48 9.16,49 9.289,50 1146.57,51 13868.6,52 126.075,53 24.936,54 3.72,55 192.317,56 461.013,57 3.519,58 2.634,60 984,61 3.486,62 4.664,63 1.876,64 1.637,65 3.989,66 0.618,67 0.732,68 0.616,69 0.618,70 5}
{0 CHEMBL1987430,2 1.63,3 3.433,5 11,6 3.604,7 3.494,8 3.706,9 2.89,10 7.832,11 3.551,12 3.546,13 0.275,14 0.011,15 16.695,16 3.579,17 3.503,18 297,19 3.741,20 374.4,21 5.503,22 3.556,23 623,24 6.613,25 14.47,26 16.941,27 94.414,28 18.97,29 5.799,30 224.705,31 314.72,32 16241,33 2.657,34 433.239,35 0.579,37 5.565,38 23.202,39 10.631,40 3.169,41 3.436,42 2.673,43 11.652,44 47.034,45 1.189,46 30206,47 107,48 8.365,49 5.758,50 1264.89,51 16492,52 134.599,53 25.975,54 4.678,55 179.266,56 429.169,57 3.421,58 2.834,60 1104,61 3.526,62 4.359,63 1.892,64 1.651,65 4.019,66 0.901,67 1.123,68 0.878,69 0.901,70 5.3}
{0 CHEMBL1987448,1 3.11,2 1.024,3 2.744,4 1,5 6.412,6 2.822,7 1.988,8 3.253,9 2.184,10 3.929,11 1.988,12 3.374,13 0.041,14 0.014,15 6.764,16 2.625,17 1.819,18 109,19 2.798,20 244.7,21 2.408,22 2.507,23 236,24 4.07,25 9.57,26 12.328,27 68.8,28 10.416,29 1.666,30 120.211,31 187.11,32 4135,33 2.152,34 265.088,35 0.889,36 1,37 3.983,38 8.574,39 9.633,40 2.622,41 3.024,42 1.913,43 8.526,44 23.611,45 0.211,46 7513,47 34,48 5.472,49 2.453,50 383.753,51 3381.24,52 68.68,53 16.701,54 1.826,55 118.717,56 281.429,57 3.026,58 2.385,59 6.843,60 285,61 3.219,62 2.957,63 1.54,64 1.392,65 3.586,66 -0.746,67 -0.947,68 -0.652,69 -0.746,70 7}
{0 CHEMBL1987533,1 2.785,2 1.34,3 3.144,5 8.8,6 3.287,7 3.081,8 3.17,9 2.528,10 5.551,11 3.137,12 3.512,13 0.137,14 0.01,15 10.476,16 3.159,17 3.02,18 176,19 3.209,20 285.75,21 3.61,22 3.084,23 384,24 5.413,25 11.315,26 14.449,27 78.433,28 13.005,29 3.625,30 156,31 234.16,32 7097,33 2.377,34 330.122,35 0.612,37 4.833,38 13.39,39 9.579,40 2.805,41 3.196,42 2.222,43 10.009,44 30.127,45 0.756,46 12936,47 50,48 6.568,49 3.508,50 624.462,51 6505.76,52 89.437,53 20.128,54 2.963,55 141.768,56 337.674,57 3.214,58 2.397,59 6.581,60 458,61 3.335,62 3.732,63 1.593,64 1.421,65 3.738,66 -0.239,67 -0.306,68 -0.21,69 -0.239,70 5}
{0 CHEMBL1987535,1 3.217,2 2.038,3 3.499,4 1,5 11.68,6 3.696,7 3.442,8 3.583,9 2.973,10 7.503,11 3.526,12 3.737,13 0.158,14 0.008,15 20.191,16 3.602,17 3.385,18 292,19 3.508,20 352.5,21 4.949,22 3.472,23 650,24 6.943,25 14.682,26 17.416,27 102.192,28 16.492,29 6.852,30 237.133,31 305.3,32 12854,33 2.735,34 423.814,35 0.439,37 5.291,38 25.245,39 10.301,40 3.025,41 3.467,42 2.616,43 12.764,44 36.267,45 1.388,46 22109,47 93,48 9.357,49 7.502,50 1108.7,51 14004.7,52 123.206,53 24.895,54 3.675,55 182.337,56 436.661,57 3.518,58 2.512,59 7.286,60 878,61 3.655,62 4.244,63 1.846,64 1.662,65 3.968,66 0.772,67 0.945,68 0.737,69 0.772,70 6.1}
{0 CHEMBL1987679,1 3.271,2 2.033,3 3.684,4 1,5 13.233,6 3.855,7 3.62,8 3.781,9 3.111,10 7.917,11 3.698,12 3.755,13 0.225,14 0.008,15 19.484,16 3.782,17 3.629,18 397,19 3.702,20 400.47,21 4.967,22 3.707,23 895,24 7.735,25 16.092,26 20.501,27 112,28 18.822,29 7.213,30 272.193,31 342.39,32 21666,33 2.798,34 464.32,35 0.367,37 5.578,38 30.009,39 12.487,40 3.242,41 3.608,42 2.774,43 14.653,44 41.905,45 1.585,46 38941,47 122,48 9.672,49 8.202,50 1677.08,51 24318.1,52 157.086,53 28.881,54 3.966,55 201.392,56 483.156,57 3.603,58 2.905,59 7.506,60 1504,61 3.651,62 4.491,63 1.886,64 1.717,65 4.153,66 1.155,67 1.671,68 1.14,69 1.155,70 6}
{0 CHEMBL1987745,2 1.323,3 3.081,5 8.522,6 3.191,7 3.478,8 3.522,9 2.496,10 5.596,11 3.233,12 3.706,13 0.156,14 0.008,15 11.177,16 3.389,17 3.17,18 196,19 3.395,20 321.78,21 3.43,22 3.306,23 435,24 5.1,25 12.763,26 16.311,27 89.525,28 14.097,29 4.011,30 169.525,31 268.42,32 9096,33 2.595,34 354.749,35 0.657,37 5.226,38 16.193,39 11.097,40 2.966,41 3.346,42 2.596,43 11.509,44 31.722,45 1.316,46 16767,47 64,48 7.514,49 4.551,50 807.317,51 8786.34,52 105.154,53 22.043,54 2.533,55 157.297,56 375.565,57 3.358,58 2.453,59 5.38,60 631,61 3.632,62 3.884,63 1.795,64 1.712,65 3.892,66 0.169,67 0.216,68 0.165,69 0.169,70 6.1}
{0 CHEMBL1987793,2 1.493,3 3.468,4 1,5 11.97,6 3.687,7 3.676,8 4.157,9 2.831,10 9.127,11 4.024,12 3.79,13 0.264,14 0.009,15 32.737,16 4.212,17 3.869,18 395,19 3.865,20 435.55,21 5.89,22 4.067,23 875,24 7.152,25 18.492,26 22.786,27 130.722,28 21.296,29 12.898,30 294.602,31 397.01,32 22815,33 2.98,34 551.765,35 0.446,37 5.698,38 31.493,39 13.29,40 3.307,41 3.753,42 2.964,43 16.148,44 47.797,45 1.618,46 37937,47 141,48 11.16,49 15.171,50 1946.73,51 28878.8,52 174.07,53 30.489,54 4.007,55 232.708,56 559.568,57 3.784,58 3.018,59 7.248,60 1977,61 3.8,62 4.904,63 2.005,64 1.887,65 4.243,66 1.303,67 1.896,68 1.3,69 1.303,70 5.2}
{0 CHEMBL1987899,1 2.879,2 1.687,3 3.402,5 10.815,6 3.565,7 3.881,8 3.909,9 2.908,10 7.001,11 3.587,12 3.898,13 0.364,14 0.012,15 14.327,16 3.692,17 3.559,18 292,19 3.943,20 401.27,21 4.679,22 3.676,23 639,24 6.429,25 15.727,26 20.129,27 107.69,28 18.046,29 5.817,30 210.905,31 320.72,32 16454,33 2.853,34 434.15,35 0.518,37 5.77,38 23.284,39 10.829,40 3.211,41 3.467,42 2.738,43 13.53,44 40.199,45 1.543,46 32519,47 108,48 8.89,49 6.525,50 1251.25,51 16083.3,52 133.882,53 25.92,54 3.227,55 186.013,56 445.631,57 3.472,58 2.619,59 6.581,60 1164,61 3.757,62 4.304,63 1.819,64 1.779,65 4.029,66 0.812,67 1.069,68 0.807,69 0.812,70 5.1}
{0 CHEMBL1987910,2 1.991,3 3.517,5 12.133,6 3.768,7 3.656,8 3.865,9 2.915,10 8.056,11 3.56,12 3.812,13 0.254,14 0.009,15 14.176,16 3.608,17 3.51,18 364,19 3.594,20 428.47,21 5.459,22 3.549,23 788,24 7.506,25 16.142,26 19.156,27 111.743,28 20.33,29 6.64,30 225.624,31 339.29,32 23538,33 2.774,34 451.224,35 0.44,37 5.595,38 29.333,39 12.094,40 3.31,41 3.556,42 2.735,43 13.568,44 47.383,45 1.538,46 47265,47 104,48 9.67,49 6.272,50 1638.9,51 23631.4,52 156.235,53 28.641,54 4.329,55 196.334,56 470.814,57 3.562,58 2.93,59 6.862,60 1400,61 3.776,62 4.272,63 1.869,64 1.808,65 4.132,66 1.064,67 1.577,68 1,69 1.064,70 5.3}
{0 CHEMBL1987948,1 3.134,2 1.684,3 3.423,4 1,5 10.964,6 3.609,7 3.866,8 4.119,9 2.897,10 7.858,11 3.774,12 3.917,13 0.272,14 0.009,15 26.225,16 3.878,17 3.649,18 307,19 3.953,20 420.97,21 5.454,22 3.764,23 666,24 6.623,25 16.887,26 20.475,27 110.088,28 19.434,29 7.882,30 256.366,31 336.64,32 16982,33 2.904,34 481.76,35 0.507,36 1,37 5.665,38 25,39 11.051,40 3.231,41 3.542,42 2.666,43 14.587,44 42.449,45 1.458,46 31325,47 98,48 11.351,49 8.19,50 1364.37,51 18021.6,52 140.676,53 26.696,54 4.765,55 201.589,56 483.638,57 3.579,58 2.925,59 6.843,60 1228,61 3.715,62 4.511,63 1.79,64 1.73,65 4.069,66 1.027,67 1.196,68 0.981,69 1.027,70 6.7}
{0 CHEMBL1987982,1 3.293,2 1.781,3 3.403,4 1,5 10.846,6 3.588,7 3.461,8 3.636,9 2.921,10 6.73,11 3.486,12 3.663,13 0.19,14 0.008,15 15.64,16 3.624,17 3.424,18 282,19 3.486,20 358.39,21 4.412,22 3.539,23 614,24 6.452,25 13.86,26 15.648,27 95.972,28 17.046,29 6.459,30 211.82,31 300.3,32 14754,33 2.687,34 391.367,35 0.512,37 5.484,38 25.13,39 11.055,40 2.902,41 3.458,42 2.735,43 11.348,44 38.165,45 1.338,46 27736,47 92,48 8.37,49 6.825,50 1166.11,51 14517.9,52 127.589,53 25.162,54 3.758,55 170.804,56 408.522,57 3.452,58 2.717,59 6.843,60 994,61 3.637,62 4.305,63 1.871,64 1.751,65 4.001,66 1,67 1.043,68 0.983,69 1,70 5}
{0 CHEMBL1987998,2 2.155,3 3.478,5 11.435,6 3.667,7 3.545,8 3.493,9 2.968,10 7.238,11 3.33,12 3.769,13 0.156,14 0.008,15 20.102,16 3.519,17 3.259,18 263,19 3.521,20 331.82,21 5.084,22 3.411,23 563,24 6.754,25 13.369,26 16.734,27 89.353,28 16.154,29 5.605,30 192.15,31 295.18,32 10965,33 2.687,34 423.954,35 0.508,37 5.497,38 23.981,39 8.971,40 3.027,41 3.364,42 2.678,43 11.403,44 37.163,45 1.078,46 19486,47 81,48 7.897,49 6.506,50 927.837,51 11144,52 110.681,53 23.278,54 4.179,55 167.877,56 401.379,57 3.387,58 2.484,60 734,61 3.672,62 4.163,63 1.908,64 1.774,65 3.865,66 0.135,67 0.156,68 0.112,69 0.135,70 5.3}
{0 CHEMBL1988075,2 2.353,3 3.794,5 14.529,6 3.986,7 3.858,8 4.082,9 3.307,10 9.298,11 3.999,12 3.832,13 0.33,14 0.009,15 26.51,16 4.031,17 3.882,18 494,19 3.937,20 469.58,21 6.056,22 3.941,23 1087,24 8.341,25 18.988,26 23.139,27 133.556,28 22.146,29 10.376,30 284.499,31 393.47,32 30337,33 2.886,34 531.598,35 0.376,37 5.76,38 43.052,39 13.728,40 3.376,41 3.727,42 2.805,43 16.535,44 50.311,45 1.947,46 55833,47 166,48 11.384,49 8.504,50 2235.98,51 35071.2,52 184.61,53 31.908,54 4.701,55 232.518,56 559.103,57 3.755,58 3.208,59 6.88,60 2152,61 3.811,62 4.684,63 1.976,64 1.872,65 4.267,66 1.182,67 1.73,68 1.166,69 1.182,70 6.6}
{0 CHEMBL1988076,2 2.21,3 3.699,5 13.595,6 3.88,7 4.164,8 4.371,9 3.193,10 10.056,11 4.262,12 3.875,13 0.474,14 0.009,15 30.09,16 4.346,17 4.161,18 503,19 4.304,20 502.64,21 6.314,22 4.25,23 1121,24 7.887,25 20.737,26 25.545,27 146.23,28 23.231,29 11.766,30 316.056,31 421.76,32 33303,33 2.983,34 576.69,35 0.386,37 5.917,38 44.906,39 15.122,40 3.34,41 3.82,42 3.025,43 18.607,44 50.88,45 1.626,46 58547,47 192,48 12.62,49 11.572,50 2584.16,51 41595.4,52 202.902,53 33.621,54 4.794,55 253.643,56 610.648,57 3.849,58 3.196,59 7.535,60 2857,61 3.852,62 4.904,63 1.992,64 1.882,65 4.361,66 1.414,67 2.025,68 1.352,69 1.414,70 5.8}
{0 CHEMBL1988141,2 1.655,3 3.161,5 9.05,6 3.295,7 2.758,8 3.313,9 2.746,10 6.726,11 2.876,12 3.505,13 0.111,14 0.011,15 13.804,16 3.278,17 2.765,18 181,19 3.004,20 277.36,21 4.983,22 3.133,23 371,24 5.333,25 11.479,26 14.535,27 74.591,28 14.817,29 3.073,30 179.376,31 261.31,32 6233,33 2.563,34 384.02,35 0.813,37 5.199,38 16.15,39 7.5,40 2.859,41 3.189,42 2.454,43 9.613,44 36.483,45 1.014,46 10098,47 66,48 6.744,49 5.316,50 626.077,51 6407.9,52 88.971,53 20.017,54 3.72,55 148.011,56 352.907,57 3.198,58 2.293,60 490,61 3.433,62 4.009,63 1.841,64 1.579,65 3.713,66 -0.401,67 -0.495,68 -0.377,69 -0.401,70 5.3}
{0 CHEMBL1988153,2 1.808,3 3.386,5 10.808,6 3.581,7 3.499,8 3.8,9 2.907,10 6.366,11 3.257,12 3.76,13 0.288,14 0.013,15 8.622,16 3.507,17 3.252,18 281,19 3.611,20 377.37,21 4.159,22 3.442,23 611,24 6.442,25 14.058,26 16.165,27 91.257,28 16.984,29 4.733,30 168.608,31 273.16,32 16315,33 2.687,34 374.938,35 0.511,37 5.332,38 24.592,39 11.556,40 2.922,41 3.381,42 2.678,43 11.595,44 38.16,45 1.128,46 34553,47 94,48 8.248,49 5.707,50 1163.98,51 14521.1,52 127.61,53 25.143,54 3.454,55 161.021,56 384.651,57 3.359,58 2.825,59 7.413,60 1020,61 3.51,62 3.955,63 1.697,64 1.527,65 3.997,66 0.683,67 1.002,68 0.66,69 0.683,70 6.2}
{0 CHEMBL1988163,2 1.598,3 3.359,4 1,5 10.269,6 3.515,7 3.522,8 3.697,9 2.763,10 6.445,11 3.504,12 3.765,13 0.214,14 0.009,15 13.279,16 3.583,17 3.427,18 267,19 3.664,20 365.45,21 4.11,22 3.511,23 582,24 6.238,25 14.388,26 18.398,27 100.21,28 16.578,29 5.086,30 198.905,31 291.61,32 13913,33 2.687,34 402.255,35 0.526,37 5.317,38 21.846,39 11.913,40 2.893,41 3.446,42 2.693,43 13.398,44 38.078,45 1.18,46 25628,47 87,48 9.347,49 5.665,50 1142.32,51 14205.7,52 127.073,53 25.023,54 3.433,55 177.68,56 425.299,57 3.468,58 2.712,59 6.843,60 962,61 3.742,62 4.149,63 1.837,64 1.773,65 4.001,66 1,67 1.5,68 1,69 1,70 7.4}
{0 CHEMBL1988173,2 1.543,3 3.417,5 11.241,6 3.607,7 3.82,8 4.04,9 2.819,10 9.371,11 3.818,12 3.862,13 0.301,14 0.01,15 26.883,16 3.935,17 3.672,18 326,19 4.005,20 425.97,21 6.873,22 3.783,23 689,24 6.712,25 17.22,26 21.855,27 119.157,28 21.272,29 9.234,30 226.856,31 374.64,32 17955,33 2.888,34 547.113,35 0.596,37 5.633,38 26.785,39 9.019,40 3.356,41 3.564,42 2.735,43 14.485,44 52.4,45 1.38,46 32268,47 127,48 9.666,49 10.025,50 1464.38,51 19982.3,52 147.278,53 27.521,54 4.945,55 215.26,56 516.993,57 3.602,58 2.885,60 1409,61 3.753,62 4.481,63 1.961,64 1.824,65 4.085,66 1,67 1.5,68 1,69 1,70 6.2}
{0 CHEMBL1988300,1 3.31,2 1.893,3 3.49,5 11.464,6 3.644,7 3.663,8 3.849,9 2.955,10 6.859,11 3.751,12 3.808,13 0.228,14 0.008,15 18.288,16 3.813,17 3.628,18 321,19 3.789,20 383.51,21 4.191,22 3.71,23 723,24 6.689,25 15.702,26 19.441,27 117.879,28 17.11,29 7.331,30 233.133,31 314.69,32 16000,33 2.791,34 424.717,35 0.447,37 5.425,38 26.944,39 13.939,40 3.134,41 3.572,42 2.776,43 14.141,44 37.754,45 1.391,46 27802,47 112,48 9.713,49 7.105,50 1377.45,51 18035.9,52 140.678,53 26.791,54 3.124,55 194.809,56 467.093,57 3.612,58 3.03,59 7.545,60 1210,61 3.785,62 4.359,63 1.912,64 1.849,65 4.088,66 1,67 1.5,68 1,69 1,70 6.5}
{0 CHEMBL1988331,1 3.202,2 1.615,3 3.337,4 1,5 10.231,6 3.506,7 3.645,8 3.859,9 2.749,10 7.005,11 3.705,12 3.878,13 0.243,14 0.01,15 19.631,16 3.743,17 3.579,18 266,19 3.774,20 362.89,21 4.559,22 3.643,23 584,24 6.229,25 15.432,26 18.596,27 108.988,28 16.923,29 6.499,30 227.624,31 311.63,32 12580,33 2.851,34 437.425,35 0.522,36 1,37 5.311,38 21.527,39 11.743,40 3.088,41 3.497,42 2.73,43 12.903,44 38.063,45 1.472,46 20928,47 82,48 8.884,49 6.418,50 1139.36,51 14228.3,52 127.121,53 25.056,54 3.431,55 188.872,56 452.608,57 3.532,58 2.791,59 6.843,60 966,61 3.693,62 4.32,63 1.862,64 1.775,65 4.002,66 0.772,67 0.875,68 0.734,69 0.772,70 8.4}
{0 CHEMBL1988387,2 2.48,3 3.925,5 16.139,6 4.131,7 3.88,8 4.097,9 3.413,10 10.21,11 3.946,12 3.86,13 0.35,14 0.01,15 22.619,16 4.005,17 3.859,18 581,19 3.981,20 506.58,21 6.853,22 3.923,23 1274,24 9.166,25 19.722,26 24.01,27 135.961,28 24.162,29 9.519,30 290.457,31 404.67,32 39748,33 3.034,34 552.416,35 0.343,37 5.809,38 48.108,39 13.657,40 3.423,41 3.737,42 2.913,43 16.966,44 54.965,45 2.239,46 78456,47 212,48 11.631,49 8.91,50 2602.4,51 43709.8,52 200.722,53 33.685,54 5.351,55 237.841,56 572.093,57 3.737,58 3.222,59 7.424,60 2518,61 3.801,62 4.694,63 1.893,64 1.844,65 4.319,66 1.356,67 1.919,68 1.311,69 1.356,70 7.5}
{0 CHEMBL1988437,1 3.076,2 2.265,3 3.561,5 12.286,6 3.752,7 3.583,8 3.804,9 3.067,10 8.322,11 3.705,12 3.805,13 0.271,14 0.01,15 18.187,16 3.841,17 3.601,18 344,19 3.746,20 386.51,21 5.448,22 3.752,23 746,24 7.218,25 16.033,26 19.7,27 114.788,28 18.33,29 6.853,30 242.574,31 335.74,32 17078,33 2.789,34 466.205,35 0.457,37 5.489,38 31.077,39 12.607,40 3.169,41 3.55,42 2.789,43 14.15,44 42.629,45 1.441,46 29751,47 118,48 9.623,49 7.871,50 1418.13,51 19263.3,52 142.529,53 27.141,54 4.128,55 199.404,56 478.306,57 3.596,58 2.759,59 6.823,60 1178,61 3.767,62 4.411,63 1.936,64 1.831,65 4.076,66 1,67 1.5,68 0.956,69 1,70 6.8}
{0 CHEMBL1988537,2 1.312,3 3.068,5 8.84,6 3.218,7 3.371,8 4.03,9 2.519,10 6.619,11 3.439,12 3.797,13 0.213,14 0.013,15 20.852,16 3.792,17 3.288,18 221,19 3.769,20 368.86,21 4.318,22 3.654,23 485,24 5.218,25 14.843,26 18.242,27 99.724,28 16.308,29 6.759,30 184.666,31 302.02,32 11129,33 2.688,34 410.484,35 0.688,37 5.241,38 18.326,39 11.01,40 3.171,41 3.428,42 2.719,43 12.883,44 35.608,45 1.528,46 20568,47 103,48 8.771,49 7.541,50 965.499,51 11100.8,52 117.148,53 23.545,54 2.856,55 175.222,56 419.302,57 3.465,58 2.529,60 918,61 3.666,62 4.197,63 1.784,64 1.715,65 3.967,66 0.654,67 0.802,68 0.562,69 0.654,70 5.9}
{0 CHEMBL1988581,2 1.142,3 2.709,5 6.412,6 2.829,7 2.213,8 2.787,9 2.184,10 4.375,11 2.567,12 3.307,13 0.041,14 0.007,15 7.832,16 2.837,17 2.412,18 109,19 2.436,20 233.3,21 3.07,22 2.661,23 222,24 4.1,25 10.136,26 12.577,27 68.287,28 11.926,29 2.53,30 135.735,31 228.82,32 3581,33 2.306,34 324.356,35 1.094,37 4.431,38 9.917,39 7.742,40 2.649,41 3.014,42 2.087,43 7.986,44 28.256,45 0.122,46 5491,47 39,48 5.344,49 3.079,50 384.765,51 3402.48,52 68.717,53 16.648,54 2.266,55 124.83,56 296.346,57 3.016,58 2.288,60 274,61 3.248,62 3.499,63 1.692,64 1.431,65 3.553,66 -0.907,67 -1,68 -0.884,69 -0.907,70 6.8}
{0 CHEMBL1988594,2 2.197,3 3.659,5 13.276,6 3.865,7 3.552,8 3.727,9 3.066,10 8.45,11 3.641,12 3.808,13 0.214,14 0.008,15 16.413,16 3.739,17 3.547,18 385,19 3.698,20 404.49,21 5.58,22 3.638,23 843,24 7.804,25 15.864,26 20.571,27 112.693,28 19.148,29 6.342,30 206.869,31 331.93,32 21074,33 2.755,34 458.758,35 0.409,37 5.463,38 31.275,39 11.588,40 3.276,41 3.527,42 2.735,43 14.551,44 45.121,45 1.519,46 39407,47 130,48 9.501,49 6.842,50 1569.26,51 22455.1,52 150.827,53 28.229,54 4.461,55 197.804,56 474.402,57 3.54,58 2.876,59 6.862,60 1362,61 3.804,62 4.332,63 1.839,64 1.805,65 4.105,66 1,67 1.5,68 1,69 1,70 7.1}
{0 CHEMBL1988608,1 2.86,2 1.839,3 3.541,5 11.75,6 3.718,7 3.681,8 3.778,9 2.968,10 7.389,11 3.595,12 3.816,13 0.322,14 0.011,15 19.378,16 3.691,17 3.568,18 329,19 3.761,20 375.42,21 4.778,22 3.679,23 717,24 7.079,25 14.97,26 19.673,27 105.617,28 18.107,29 6.487,30 236.379,31 324.75,32 17877,33 2.733,34 458.39,35 0.459,37 5.746,38 26.633,39 12.382,40 3.058,41 3.496,42 2.741,43 13.508,44 42.521,45 1.534,46 32837,47 114,48 8.572,49 6.44,50 1405.35,51 19163.9,52 142.403,53 27.065,54 3.747,55 186.803,56 447.558,57 3.482,58 2.834,59 6.581,60 1340,61 3.726,62 4.471,63 1.795,64 1.754,65 4.067,66 1.088,67 1.584,68 1.044,69 1.088,70 5.3}
{0 CHEMBL1988622,2 1.176,3 3.034,5 8,6 3.134,7 2.559,8 2.794,9 2.469,10 4.321,11 2.789,12 3.398,13 0.066,14 0.007,15 6.414,16 2.889,17 2.684,18 136,19 2.721,20 221.28,21 2.527,22 2.806,23 302,24 4.892,25 9.192,26 11.502,27 68.537,28 9.943,29 2.534,30 123.851,31 192.86,32 4255,33 2.145,34 275.133,35 0.639,37 4.39,38 10.505,39 9.966,40 2.687,41 3.057,42 2.124,43 8.416,44 23.947,45 0.367,46 6948,47 42,48 5.453,49 2.607,50 426.286,51 3914.21,52 71.308,53 17.44,54 2.146,55 119.847,56 284.186,57 3.077,58 2.072,59 6.581,60 296,61 3.377,62 3.448,63 1.558,64 1.389,65 3.593,66 -0.803,67 -1.217,68 -0.788,69 -0.803,70 5.1}
{0 CHEMBL1988662,1 2.968,2 1.395,3 3.175,5 9.217,6 3.351,7 3.332,8 3.559,9 2.674,10 6.983,11 3.589,12 3.563,13 0.24,14 0.012,15 19.522,16 3.643,17 3.452,18 212,19 3.496,20 311.43,21 4.791,22 3.55,23 448,24 5.63,25 13.413,26 16.234,27 93.414,28 15.779,29 6.134,30 206.705,31 278.19,32 8476,33 2.647,34 409.698,35 0.676,37 5.378,38 20.102,39 9.972,40 2.889,41 3.347,42 2.618,43 11.148,44 36.687,45 1,46 13159,47 86,48 7.604,49 5.821,50 847.798,51 9659.38,52 107.192,53 22.496,54 3.63,55 169.136,56 404.452,57 3.363,58 2.574,59 6.823,60 790,61 3.511,62 4.448,63 1.824,64 1.664,65 3.87,66 0.354,67 0.386,68 0.323,69 0.354,70 6.1}
{0 CHEMBL1988692,1 3.278,2 1.1,3 3.019,4 1,5 8,6 3.157,7 2.984,8 3.309,9 2.409,10 5.136,11 3.125,12 3.435,13 0.174,14 0.012,15 11.57,16 3.259,17 3.052,18 160,19 3.157,20 268.35,21 3.324,22 3.181,23 343,24 5.004,25 11.397,26 14.113,27 78.263,28 12.943,29 3.232,30 166.608,31 243.49,32 5934,33 2.499,34 339.717,35 0.714,37 5.104,38 13.63,39 9.734,40 2.773,41 3.213,42 2.517,43 9.631,44 29.918,45 0.855,46 9429,47 51,48 6.577,49 4.815,50 599.815,51 6116.92,52 88.077,53 19.762,54 2.635,55 143.157,56 341.063,57 3.229,58 2.513,59 7.496,60 466,61 3.433,62 3.967,63 1.775,64 1.614,65 3.735,66 -0.422,67 -0.476,68 -0.406,69 -0.422,70 6.2}
{0 CHEMBL1988717,2 2.639,3 3.885,5 15.528,6 4.111,7 3.795,8 4.007,9 3.419,10 9.208,11 3.83,12 3.862,13 0.404,14 0.012,15 18.51,16 3.893,17 3.781,18 559,19 3.993,20 492.51,21 6.063,22 3.857,23 1224,24 9.116,25 18.784,26 22.949,27 128.671,28 23.704,29 7.518,30 289.71,31 388.14,32 39968,33 2.904,34 526.479,35 0.342,37 5.741,38 47.469,39 13.53,40 3.3,41 3.699,42 2.817,43 15.974,44 54.975,45 1.844,46 79490,47 176,48 10.658,49 7.424,50 2590.09,51 43513.1,52 200.645,53 33.643,54 4.888,55 227.909,56 547.857,57 3.663,58 3.355,59 7.413,60 2438,61 3.82,62 4.569,63 1.836,64 1.764,65 4.316,66 1.448,67 1.978,68 1.371,69 1.448,70 5.4}
{0 CHEMBL1988805,2 0.962,3 2.716,5 6.353,6 2.776,7 1.398,8 2.977,9 2.162,10 3.829,11 1.668,12 3.448,13 0.031,14 0.016,15 2.473,16 2.475,17 1.534,18 108,19 2.476,20 241.3,21 2.307,22 2.325,23 233,24 3.966,25 9.478,26 12.182,27 66.18,28 10.246,29 1.017,30 108.039,31 181.47,32 4139,33 2.256,34 261.161,35 0.951,37 3.951,38 9.446,39 9.482,40 2.6,41 2.991,42 2.046,43 8.746,44 23.532,45 0.559,46 7618,47 42,48 5.753,49 2.698,50 377.557,51 3316.92,52 68.274,53 16.607,54 1.578,55 115.789,56 274.286,57 3.011,58 2.035,59 7.424,60 282,61 3.29,62 2.56,63 1.468,64 1.356,65 3.583,66 -0.822,67 -1.19,68 -0.781,69 -0.822,70 5.9}
{0 CHEMBL1988838,2 2.316,3 3.676,5 13.233,6 3.885,7 3.754,8 3.916,9 3.099,10 9.195,11 3.71,12 3.792,13 0.329,14 0.011,15 21.572,16 3.82,17 3.633,18 397,19 3.855,20 428.52,21 6.644,22 3.736,23 827,24 7.835,25 16.81,26 21.975,27 112.858,28 21.677,29 7.204,30 258.683,31 360.75,32 23241,33 2.696,34 507.542,35 0.502,37 5.633,38 34.933,39 11.01,40 3.076,41 3.545,42 2.735,43 15.097,44 55.557,45 1.589,46 44360,47 150,48 10.269,49 7.839,50 1690.03,51 24653.4,52 157.309,53 28.873,54 6.234,55 209.452,56 502.824,57 3.553,58 3.05,60 1640,61 3.682,62 4.505,63 1.867,64 1.754,65 4.118,66 1,67 1.5,68 1,69 1,70 6.2}
{0 CHEMBL1988872,1 2.84,2 1.711,3 3.237,5 9.682,6 3.458,7 3.171,8 3.253,9 2.674,10 5.608,11 3.081,12 3.809,13 0.182,14 0.012,15 9.978,16 3.231,17 3.009,18 213,19 3.228,20 317.41,21 3.783,22 3.121,23 455,24 6.049,25 12.607,26 15.992,27 88.409,28 14.843,29 3.074,30 168.385,31 253.59,32 9640,33 2.47,34 357.31,35 0.572,37 5.062,38 18.661,39 10.163,40 2.782,41 3.279,42 2.371,43 11.332,44 34.781,45 0.841,46 17950,47 64,48 8.382,49 4.89,50 798.791,51 9023.06,52 102.647,53 21.97,54 3.588,55 155.486,56 371.146,57 3.307,58 2.781,59 6.804,60 600,61 3.743,62 3.862,63 1.606,64 1.652,65 3.822,66 -0.182,67 -0.223,68 -0.173,69 -0.182,70 5.3}
{0 CHEMBL1988995,2 1.357,3 3.185,5 9.25,6 3.323,7 3.799,8 4.066,9 2.66,10 6.215,11 3.641,12 3.831,13 0.43,14 0.013,15 18.011,16 3.816,17 3.635,18 259,19 3.964,20 380.39,21 3.779,22 3.814,23 575,24 5.634,25 14.966,26 17.673,27 98.081,28 17.026,29 6.331,30 208.968,31 281.49,32 15505,33 2.726,34 396.986,35 0.581,37 5.806,38 22.102,39 13.161,40 3.02,41 3.47,42 2.618,43 12.72,44 37.346,45 1.424,46 29502,47 102,48 8.664,49 7.401,50 1255.93,51 15753.7,52 136.75,53 25.919,54 2.643,55 173.942,56 416.179,57 3.431,58 3.091,59 7.941,60 1224,61 3.72,62 4.491,63 1.858,64 1.658,65 4.083,66 1.059,67 1.457,68 1.017,69 1.059,70 6.4}
{0 CHEMBL1989006,1 3.134,2 1.24,3 3.055,4 1,5 8.4,6 3.148,7 2.82,8 3.607,9 2.504,10 5.689,11 2.902,12 3.455,13 0.084,14 0.008,15 12.415,16 3.207,17 2.778,18 168,19 3.382,20 288.76,21 3.759,22 3.108,23 361,24 4.898,25 11.354,26 14.449,27 80.585,28 13.215,29 3.567,30 162.465,31 230.5,32 6518,33 2.281,34 342.075,35 0.751,36 1,37 4.811,38 13.88,39 9.951,40 2.833,41 3.182,42 2.225,43 10.064,44 29.855,45 0.765,46 11764,47 70,48 6.603,49 4.44,50 598.064,51 5995.65,52 87.606,53 19.683,54 2.741,55 141.898,56 337.99,57 3.184,58 2.404,59 6.843,60 492,61 3.312,62 3.78,63 1.743,64 1.5,65 3.741,66 -0.391,67 -0.496,68 -0.25,69 -0.391,70 8.4}
{0 CHEMBL1989029,1 2.532,2 1.03,3 2.979,5 7.9,6 3.103,7 2.849,8 3.466,9 2.364,10 5.136,11 3.107,12 3.41,13 0.175,14 0.015,15 12.418,16 3.266,17 2.99,18 158,19 3.146,20 269.33,21 3.324,22 3.192,23 338,24 4.843,25 11.291,26 14.113,27 77.838,28 12.943,29 4.128,30 160.015,31 241.28,32 5952,33 2.499,34 348.026,35 0.752,37 4.993,38 12.51,39 9.854,40 2.602,41 3.201,42 2.309,43 9.648,44 29.845,45 0.818,46 9718,47 51,48 6.441,49 5.045,50 589.628,51 5963.88,52 87.547,53 19.629,54 2.502,55 140.359,56 334.236,57 3.203,58 2.518,59 7.496,60 462,61 3.408,62 3.996,63 1.717,64 1.572,65 3.735,66 -0.434,67 -0.543,68 -0.406,69 -0.434,70 5.8}
{0 CHEMBL1989043,2 2.1,3 3.638,5 13.233,6 3.836,7 3.673,8 4.13,9 3.111,10 9.201,11 3.698,12 3.878,13 0.306,14 0.012,15 22.815,16 3.752,17 3.567,18 397,19 3.779,20 462.44,21 6.603,22 3.65,23 859,24 7.608,25 18.69,26 22.604,27 126.725,28 21.528,29 7.557,30 242.539,31 378.68,32 21401,33 3.01,34 528.716,35 0.44,37 5.475,38 32.36,39 10.863,40 3.145,41 3.61,42 2.849,43 15.404,44 47.365,45 1.568,46 38090,47 146,48 11.05,49 7.062,50 1668.51,51 23838.6,52 156.402,53 28.741,54 4.812,55 222.054,56 533.571,57 3.655,58 2.943,59 6.804,60 1482,61 3.738,62 4.453,63 1.908,64 1.709,65 4.132,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL1989136,2 1.322,3 3.076,5 8.455,6 3.17,7 2.97,8 3.31,9 2.504,10 5.19,11 3.123,12 3.649,13 0.075,14 0.005,15 9.689,16 3.318,17 3.041,18 186,19 3.171,20 287.34,21 3.043,22 3.235,23 416,24 4.993,25 11.706,26 14.941,27 84.72,28 12.9,29 3.853,30 161.525,31 253.21,32 7658,33 2.584,34 333.347,35 0.66,37 4.99,38 15.62,39 10.924,40 2.756,41 3.316,42 2.596,43 10.81,44 29.794,45 1.127,46 13256,47 66,48 7.03,49 4.454,50 732.29,51 7704.61,52 99.028,53 21.266,54 2.344,55 148.964,56 355.233,57 3.327,58 2.453,59 5.38,60 568,61 3.62,62 3.854,63 1.826,64 1.717,65 3.854,66 0.169,67 0.216,68 0.164,69 0.169,70 5.9}
{0 CHEMBL1989265,2 1.344,3 3.015,5 8.4,6 3.162,7 3.369,8 3.898,9 2.517,10 6.007,11 3.561,12 3.634,13 0.282,14 0.017,15 23.951,16 3.655,17 3.393,18 210,19 3.785,20 363.45,21 4.058,22 3.592,23 456,24 5.026,25 14.476,26 17.361,27 95.228,28 16.886,29 8.072,30 218.574,31 310.43,32 10562,33 2.754,34 419.459,35 0.735,37 5.502,38 18.368,39 9.479,40 3.041,41 3.434,42 2.712,43 11.923,44 35.615,45 2.048,46 19016,47 82,48 9.151,49 8.114,50 948.709,51 10713.2,52 116.279,53 23.294,54 2.567,55 171.403,56 409.983,57 3.457,58 2.739,59 7.402,60 770,61 3.557,62 4.414,63 1.813,64 1.576,65 3.956,66 0.69,67 0.702,68 0.668,69 0.69,70 5}
{0 CHEMBL1989267,2 2.943,3 3.973,4 1,5 16.683,6 4.194,7 4.262,8 4.451,9 3.498,10 12.431,11 4.397,12 3.845,13 0.499,14 0.009,15 42.279,16 4.388,17 4.279,18 684,19 4.345,20 568.76,21 8.732,22 4.309,23 1474,24 9.533,25 24.211,26 29.449,27 166.729,28 28.801,29 15.574,30 416.838,31 502.48,32 46362,33 3.163,34 704.715,35 0.362,37 6.153,38 61.95,39 14.661,40 3.457,41 3.917,42 3.01,43 20.215,44 66.622,45 2.068,46 78517,47 270,48 13.95,49 13.69,50 3438.8,51 62339.1,52 235.95,53 37.133,54 6.149,55 294.068,56 709.286,57 3.948,58 3.339,59 7.653,60 3760,61 3.792,62 5.109,63 1.924,64 1.852,65 4.441,66 1.602,67 2.211,68 1.535,69 1.602,70 6.6}
{0 CHEMBL1989293,2 1.323,3 3.081,5 8.522,6 3.191,7 3.267,8 3.426,9 2.496,10 5.398,11 3.115,12 3.663,13 0.156,14 0.008,15 9.68,16 3.312,17 3.103,18 196,19 3.294,20 305.33,21 3.232,22 3.269,23 435,24 5.1,25 12.007,26 14.941,27 84.937,28 13.77,29 3.907,30 169.525,31 259.28,32 9096,33 2.59,34 336.181,35 0.657,37 5.469,38 16.193,39 11.097,40 2.821,41 3.33,42 2.596,43 10.81,44 31.722,45 1.316,46 16767,47 64,48 7.136,49 4.511,50 807.317,51 8786.34,52 105.154,53 22.043,54 2.423,55 150.162,56 358.156,57 3.325,58 2.454,59 5.38,60 631,61 3.619,62 3.901,63 1.803,64 1.71,65 3.892,66 0.169,67 0.216,68 0.165,69 0.169,70 6.1}
{0 CHEMBL1989471,2 1.119,3 2.842,5 7.053,6 2.937,7 2.278,8 2.982,9 2.294,10 4.288,11 2.856,12 3.387,13 0.103,14 0.017,15 11.151,16 3.123,17 2.674,18 134,19 2.759,20 252.34,21 2.723,22 2.975,23 286,24 4.327,25 11.306,26 13.569,27 73.337,28 12.068,29 3.641,30 157.26,31 227.89,32 4429,33 2.454,34 341.625,35 0.887,37 4.742,38 11.363,39 10.395,40 2.783,41 3.214,42 2.442,43 9.075,44 27.673,45 0.231,46 6476,47 44,48 6.456,49 4.312,50 502.173,51 4700.58,52 79.986,53 18.364,54 1.869,55 139.161,56 331.312,57 3.252,58 2.339,60 316,61 3.41,62 3.827,63 1.779,64 1.54,65 3.687,66 -0.441,67 -0.593,68 -0.422,69 -0.441,70 5.5}
{0 CHEMBL1989474,2 1.125,3 2.943,5 7.632,6 3.016,7 2.493,8 3.297,9 2.42,10 4.714,11 2.608,12 3.611,13 0.082,14 0.012,15 12.492,16 3.167,17 2.475,18 145,19 2.965,20 254.29,21 2.902,22 3.033,23 312,24 4.558,25 10.286,26 12.372,27 71.083,28 11.699,29 3.712,30 134.452,31 209.93,32 5587,33 2.392,34 299.95,35 0.812,37 4.937,38 12.294,39 9.662,40 2.687,41 3.11,42 2.264,43 8.843,44 27.626,45 0.824,46 10085,47 55,48 5.798,49 5.04,50 515.807,51 4967.04,52 81.004,53 18.691,54 2.285,55 127.839,56 303.688,57 3.103,58 2.107,59 6.823,60 428,61 3.451,62 3.785,63 1.714,64 1.48,65 3.69,66 -0.598,67 -0.752,68 -0.562,69 -0.598,70 5.4}
{0 CHEMBL1989518,2 1.519,3 3.217,5 9.167,6 3.319,7 2.674,8 3.046,9 2.738,10 6.647,11 2.861,12 3.377,13 0.053,14 0.005,15 10.425,16 3.13,17 2.756,18 165,19 2.944,20 241.32,21 4.591,22 3.019,23 341,24 5.407,25 9.99,26 12.632,27 71.612,28 12.431,29 3.175,30 150.465,31 227.55,32 5091,33 2.363,34 332.376,35 0.706,37 4.776,38 13.802,39 8.767,40 2.687,41 3.093,42 2.281,43 8.881,44 31.157,45 0.598,46 8268,47 60,48 5.743,49 4.109,50 507.877,51 4992.17,52 78.32,53 18.598,54 4.062,55 134.164,56 319.12,57 3.112,58 2.11,60 400,61 3.312,62 3.793,63 1.767,64 1.493,65 3.624,66 -0.634,67 -0.747,68 -0.578,69 -0.634,70 5.5}
{0 CHEMBL1989569,1 3.226,2 1.726,3 3.33,5 10.208,6 3.503,7 3.32,8 3.485,9 2.772,10 7.033,11 3.529,12 3.518,13 0.265,14 0.013,15 19.9,16 3.653,17 3.413,18 245,19 3.442,20 324.42,21 4.833,22 3.547,23 516,24 6.127,25 13.744,26 17.104,27 92.645,28 16.493,29 6.655,30 212.705,31 290.64,32 10189,33 2.636,34 418.606,35 0.615,37 5.434,38 22.139,39 10.486,40 3.022,41 3.377,42 2.658,43 11.542,44 39.353,45 1.223,46 16415,47 94,48 7.709,49 6.674,50 966.877,51 11432.9,52 114.61,53 23.493,54 3.774,55 173.003,56 413.887,57 3.386,58 2.513,59 6.862,60 824,61 3.435,62 4.44,63 1.875,64 1.614,65 3.909,66 0.433,67 0.64,68 0.41,69 0.433,70 5.7}
{0 CHEMBL1989646,1 2.903,2 1.679,3 3.213,5 9.391,6 3.384,7 2.948,8 3.5,9 2.682,10 5.522,11 3.318,12 3.745,13 0.056,14 0.004,15 13.685,16 3.481,17 3.181,18 216,19 3.366,20 304.39,21 3.356,22 3.38,23 482,24 5.699,25 12.692,26 15.811,27 93.752,28 13.976,29 4.401,30 186.621,31 251.86,32 9122,33 2.687,34 359.898,35 0.56,37 5.028,38 18.805,39 11.225,40 2.855,41 3.343,42 2.602,43 11.22,44 31.934,45 1.161,46 15350,47 77,48 7.402,49 5.585,50 856.222,51 9617.2,52 107.277,53 22.538,54 2.492,55 158.686,56 378.953,57 3.353,58 2.519,59 7.496,60 694,61 3.621,62 4.123,63 1.752,64 1.563,65 3.887,66 0.669,67 0.952,68 0.654,69 0.669,70 6}
{0 CHEMBL1989708,2 2.571,3 3.864,5 15.278,6 4.074,7 4.069,8 4.121,9 3.398,10 10.29,11 4.152,12 3.879,13 0.395,14 0.009,15 29.904,16 4.141,17 4.035,18 550,19 4.042,20 498.66,21 6.942,22 4.046,23 1198,24 8.815,25 20.712,26 25.587,27 145.241,28 24.286,29 11.518,30 340.896,31 427.13,32 33754,33 3.008,34 612.164,35 0.366,37 5.887,38 50.25,39 13.738,40 3.383,41 3.795,42 2.986,43 17.822,44 54.779,45 2.136,46 58490,47 188,48 12.368,49 10.204,50 2566.87,51 42347.1,52 199.473,53 33.496,54 5.4,55 254.63,56 613.056,57 3.828,58 3.263,59 7.434,60 2634,61 3.808,62 4.832,63 1.907,64 1.846,65 4.319,66 1.34,67 1.799,68 1.288,69 1.34,70 6.9}
{0 CHEMBL1989805,2 1.347,3 3.034,5 8.63,6 3.225,7 3.413,8 4.164,9 2.552,10 6.726,11 3.33,12 3.772,13 0.26,14 0.011,15 13.987,16 3.582,17 3.312,18 233,19 3.549,20 380.41,21 4.381,22 3.537,23 504,24 5.316,25 14.526,26 19.483,27 98.22,28 17.588,29 5.44,30 198.131,31 317.35,32 13857,33 2.672,34 414.812,35 0.715,37 5.524,38 22.178,39 10.075,40 2.993,41 3.438,42 2.542,43 13.432,44 39.771,45 2.078,46 26908,47 88,48 8.588,49 6.641,50 1132,51 13688.8,52 129.29,53 25.038,54 2.779,55 175.951,56 421.08,57 3.427,58 2.834,59 7.703,60 967,61 3.621,62 4.185,63 1.63,64 1.455,65 4.029,66 0.687,67 0.996,68 0.657,69 0.687,70 6.5}
{0 CHEMBL1989957,2 1.42,3 3.194,5 9.1,6 3.275,7 2.824,8 3.185,9 2.709,10 5.826,11 3.086,12 3.466,13 0.086,14 0.007,15 11.651,16 3.318,17 2.959,18 182,19 3.048,20 264.35,21 3.727,22 3.191,23 390,24 5.244,25 11.082,26 13.786,27 82.287,28 12.795,29 4.206,30 168.608,31 242.55,32 6084,33 2.547,34 352.559,35 0.676,37 4.899,38 15.64,39 10.092,40 2.711,41 3.251,42 2.5,43 9.865,44 29.989,45 0.878,46 9824,47 72,48 6.666,49 5.205,50 622.161,51 6313.91,52 88.671,53 19.969,54 2.874,55 145.826,56 347.575,57 3.284,58 2.349,60 484,61 3.393,62 3.938,63 1.78,64 1.538,65 3.746,66 -0.332,67 -0.448,68 -0.322,69 -0.332,70 6.1}
{0 CHEMBL1990162,1 2.878,2 2.309,3 3.774,5 14.219,6 3.929,7 3.712,8 3.934,9 3.269,10 8.468,11 3.819,12 3.878,13 0.25,14 0.007,15 15.355,16 3.851,17 3.753,18 455,19 3.877,20 419.48,21 5.21,22 3.815,23 1006,24 7.98,25 16.857,26 21.916,27 121.894,28 19.689,29 6.47,30 251.611,31 353.65,32 25604,33 2.883,34 487.806,35 0.383,37 5.572,38 39.391,39 13.471,40 3.229,41 3.634,42 2.735,43 15.691,44 45.885,45 1.861,46 46553,47 167,48 9.935,49 6.425,50 1948.55,51 29252.1,52 170.479,53 30.391,54 4.164,55 211.665,56 508.223,57 3.633,58 3.132,59 7.402,60 1912,61 3.856,62 4.436,63 1.996,64 1.906,65 4.213,66 1.109,67 1.629,68 1.081,69 1.109,70 5.3}
{0 CHEMBL1990223,2 2.23,3 3.568,5 12.24,6 3.763,7 3.636,8 3.582,9 3.133,10 7.853,11 3.555,12 3.744,13 0.234,14 0.01,15 20.32,16 3.699,17 3.465,18 306,19 3.612,20 380.29,21 5.769,22 3.564,23 649,24 7.202,25 15.349,26 18.974,27 99.199,28 18.365,29 6.845,30 217.46,31 327.69,32 14670,33 2.867,34 471.433,35 0.491,37 5.524,38 26.49,39 9.229,40 3.17,41 3.442,42 2.685,43 12.496,44 42.166,45 1.42,46 27740,47 97,48 8.791,49 8.803,50 1128.99,51 14509.9,52 124.078,53 24.972,54 4.599,55 185.802,56 445.116,57 3.472,58 2.931,60 931,61 3.675,62 4.325,63 1.937,64 1.785,65 3.94,66 0.219,67 0.257,68 0.183,69 0.219,70 5.3}
{0 CHEMBL1990254,2 1.778,3 3.414,5 10.833,6 3.562,7 3.158,8 3.472,9 2.872,10 7.646,11 3.42,12 3.685,13 0.156,14 0.009,15 15.164,16 3.564,17 3.302,18 260,19 3.342,20 317.42,21 5.119,22 3.455,23 556,24 6.366,25 13.223,26 16.778,27 94.747,28 16.067,29 5.689,30 198.574,31 300.17,32 10552,33 2.687,34 423.062,35 0.561,37 5.268,38 22.139,39 9.757,40 2.728,41 3.412,42 2.735,43 11.775,44 39.431,45 1,46 17360,47 84,48 7.84,49 6.494,50 982.977,51 11830.3,52 115.532,53 23.782,54 3.95,55 175.542,56 420.083,57 3.446,58 2.391,60 808,61 3.638,62 4.208,63 1.839,64 1.718,65 3.913,66 1,67 1.355,68 0.979,69 1,70 5.6}
{0 CHEMBL1990288,2 1.633,3 3.455,5 11.433,6 3.604,7 3.762,8 4.055,9 2.911,10 7.733,11 3.819,12 3.806,13 0.357,14 0.011,15 20.547,16 3.942,17 3.752,18 343,19 3.917,20 399.46,21 4.777,22 3.887,23 764,24 6.6,25 16.158,26 19.631,27 112.445,28 18.53,29 7.573,30 244.568,31 328.34,32 19018,33 2.688,34 457.292,35 0.478,37 5.734,38 29.049,39 13.064,40 3.139,41 3.586,42 2.735,43 14.293,44 41.451,45 1.44,46 34043,47 128,48 9.553,49 8.277,50 1567.74,51 21344.6,52 152.882,53 28.112,54 3.613,55 198.464,56 476.013,57 3.578,58 3.046,59 7.535,60 1526,61 3.748,62 4.583,63 1.857,64 1.773,65 4.152,66 1,67 1.5,68 1,69 1,70 6.45}
{0 CHEMBL1990415,1 2.829,2 1.43,3 3.206,5 9.227,6 3.31,7 3.018,8 3.364,9 2.698,10 5.117,11 3.051,12 3.694,13 0.14,14 0.009,15 9.154,16 3.219,17 3.003,18 203,19 3.19,20 289.32,21 2.972,22 3.174,23 454,24 5.406,25 11.446,26 14.941,27 78.606,28 12.779,29 3.315,30 156.465,31 229.71,32 8532,33 2.471,34 319.645,35 0.585,37 4.987,38 16.579,39 11.525,40 2.903,41 3.263,42 2.35,43 10.81,44 29.943,45 1.116,46 15373,47 68,48 6.764,49 3.488,50 764.57,51 8231.04,52 100.537,53 21.598,54 2.304,55 143.368,56 341.578,57 3.248,58 2.524,59 6.823,60 602,61 3.612,62 3.803,63 1.657,64 1.549,65 3.851,66 0.443,67 0.643,68 0.431,69 0.443,70 5.6}
{0 CHEMBL1990482,1 3.16,2 1.123,3 2.87,5 7.111,6 2.956,7 2.419,8 2.886,9 2.288,10 4.148,11 2.509,12 3.394,13 0.063,14 0.009,15 7.555,16 2.898,17 2.425,18 128,19 2.765,20 238.27,21 2.485,22 2.811,23 276,24 4.381,25 9.421,26 12.535,27 66.006,28 10.781,29 2.482,30 124.606,31 195.35,32 4737,33 2.04,34 273.964,35 0.833,37 4.79,38 10.827,39 9.809,40 2.613,41 3.066,42 1.969,43 8.754,44 25.638,45 0.587,46 8373,47 42,48 5.444,49 3.118,50 452.23,51 4155.72,52 74.945,53 17.739,54 1.854,55 121.045,56 287.11,57 3.054,58 2.33,59 6.862,60 298,61 3.208,62 3.519,63 1.463,64 1.333,65 3.64,66 -0.733,67 -0.997,68 -0.718,69 -0.733,70 6}
{0 CHEMBL1990496,2 1.959,3 3.609,5 12.886,6 3.793,7 4.092,8 4.275,9 3.122,10 10.125,11 4.345,12 3.841,13 0.464,14 0.01,15 39.242,16 4.397,17 4.227,18 451,19 4.228,20 461.61,21 6.603,22 4.299,23 995,24 7.455,25 19.556,26 24.2,27 139.236,28 22.825,29 14.303,30 324.041,31 431.69,32 26403,33 2.983,34 586.302,35 0.45,37 6.105,38 41.296,39 12.021,40 3.333,41 3.789,42 2.897,43 17.097,44 51.986,45 1.618,46 43399,47 184,48 11.639,49 13.898,50 2256.79,51 34627.4,52 188.002,53 32.101,54 4.96,55 248.966,56 599.236,57 3.819,58 3.113,60 2431,61 3.825,62 5.144,63 1.97,64 1.885,65 4.298,66 1.393,67 1.924,68 1.385,69 1.393,70 6.7}
{0 CHEMBL1990590,1 2.896,2 1.396,3 3.272,5 9.875,6 3.369,7 3.376,8 3.598,9 2.701,10 5.84,11 3.398,12 3.757,13 0.218,14 0.011,15 13.208,16 3.578,17 3.308,18 237,19 3.519,20 335.81,21 3.658,22 3.475,23 522,24 5.61,25 13.672,26 17.181,27 95.623,28 15.034,29 4.85,30 180.666,31 274.82,32 10638,33 2.687,34 390.596,35 0.591,37 5.195,38 18.167,39 11.776,40 3.011,41 3.4,42 2.695,43 11.903,44 33.843,45 1.059,46 19488,47 88,48 7.905,49 6.159,50 929.793,51 10574.5,52 112.784,53 23.129,54 2.752,55 166.889,56 398.97,57 3.42,58 2.927,59 6.862,60 768,61 3.669,62 4.079,63 1.85,64 1.739,65 3.926,66 0.777,67 1.11,68 0.76,69 0.777,70 5.3}
{0 CHEMBL1990708,2 1.197,3 3.063,5 8.381,6 3.139,7 2.883,8 3.518,9 2.475,10 5.502,11 2.896,12 3.465,13 0.084,14 0.007,15 9.66,16 3.178,17 2.857,18 176,19 3.228,20 284.3,21 3.544,22 3.166,23 374,24 4.904,25 11.224,26 14.82,27 73.285,28 13.525,29 3.344,30 151.71,31 230.23,32 7273,33 2.446,34 346.731,35 0.782,37 5.112,38 15.351,39 10.001,40 2.778,41 3.171,42 2.286,43 10.203,44 31.99,45 1,46 13106,47 68,48 6.357,49 3.654,50 659.254,51 6802.12,52 93.179,53 20.423,54 2.457,55 138.63,56 330.017,57 3.133,58 2.208,59 6.862,60 533,61 3.327,62 3.841,63 1.752,64 1.531,65 3.783,66 -0.277,67 -0.36,68 -0.249,69 -0.277,70 5}
{0 CHEMBL1990821,1 3.2,2 1.883,3 3.507,4 1,5 11.875,6 3.738,7 3.823,8 4.021,9 2.93,10 9.216,11 4.037,12 3.814,13 0.328,14 0.009,15 29.307,16 4.179,17 3.926,18 380,19 3.845,20 427.58,21 6.384,22 4.026,23 815,24 7.284,25 19.081,26 22.828,27 129.513,28 22.166,29 11.695,30 306.001,31 408.25,32 20603,33 2.97,34 579.608,35 0.49,37 5.842,38 33.375,39 12.153,40 3.14,41 3.735,42 2.989,43 15.363,44 51.878,45 1.702,46 32265,47 126,48 11,49 14.79,50 1854.03,51 27220.7,52 168.203,53 29.871,54 4.472,55 236.364,56 568.488,57 3.779,58 3.07,59 7.066,60 1872,61 3.818,62 4.847,63 1.959,64 1.823,65 4.194,66 1.306,67 1.657,68 1.265,69 1.306,70 5}
{0 CHEMBL1990884,2 1.938,3 3.499,5 11.759,6 3.7,7 3.637,8 3.774,9 2.945,10 7.318,11 3.559,12 3.755,13 0.326,14 0.012,15 16.742,16 3.632,17 3.532,18 341,19 3.663,20 390.45,21 4.826,22 3.605,23 738,24 7.024,25 15.915,26 19.836,27 109.399,28 19.124,29 6.175,30 241.814,31 334.73,32 18281,33 2.815,34 455.297,35 0.482,37 5.828,38 28.014,39 12.16,40 3.072,41 3.556,42 2.733,43 13.419,44 44.94,45 1.643,46 32402,47 106,48 8.963,49 6.565,50 1502.18,51 20463.7,52 148.086,53 27.604,54 3.602,55 196.395,56 470.963,57 3.554,58 3.02,59 6.843,60 1251,61 3.71,62 4.365,63 1.87,64 1.775,65 4.099,66 1.097,67 1.592,68 1.104,69 1.097,70 5.1}
{0 CHEMBL1990885,1 3.187,2 2.105,3 3.48,4 1,5 11.655,6 3.702,7 3.837,8 3.905,9 2.945,10 8.934,11 3.927,12 3.619,13 0.463,14 0.014,15 29.772,16 3.978,17 3.851,18 338,19 3.867,20 398.53,21 6.557,22 3.895,23 707,24 7.02,25 17.28,26 20.259,27 113.678,28 21.284,29 9.203,30 284.192,31 376.81,32 16865,33 2.944,34 524.859,35 0.58,37 6.073,38 30.19,39 10.273,40 3.04,41 3.578,42 2.856,43 13.456,44 52.559,45 1.567,46 26966,47 128,48 9.879,49 9.612,50 1503.13,51 20612.1,52 148.127,53 27.641,54 4.439,55 212.57,56 510.432,57 3.603,58 2.899,59 7.703,60 1395,61 3.55,62 4.825,63 1.845,64 1.685,65 4.082,66 0.787,67 1.057,68 0.771,69 0.787,70 7.5}
{0 CHEMBL1990904,2 1.383,3 3.252,5 9.889,6 3.41,7 3.586,8 3.974,9 2.689,10 6.622,11 3.669,12 3.798,13 0.197,14 0.008,15 21.354,16 3.909,17 3.581,18 267,19 3.816,20 360.43,21 3.972,22 3.831,23 602,24 5.87,25 14.509,26 17.347,27 100.737,28 16.194,29 7.099,30 220.215,31 294.83,32 13660,33 2.763,34 404.674,35 0.537,37 5.638,38 24.255,39 12.08,40 2.993,41 3.494,42 2.735,43 12.882,44 35.488,45 1.264,46 23957,47 108,48 8.931,49 7.969,50 1196.87,51 14931.1,52 131.652,53 25.592,54 3.353,55 178.34,56 426.91,57 3.49,58 3.037,59 7.769,60 1223,61 3.754,62 4.556,63 1.82,64 1.714,65 4.048,66 1,67 1.5,68 1,69 1,70 6.6}
{0 CHEMBL1990912,2 1.42,3 3.194,5 9.1,6 3.275,7 2.838,8 3.192,9 2.709,10 5.783,11 3.014,12 3.463,13 0.086,14 0.007,15 11.177,16 3.25,17 2.904,18 182,19 3.056,20 265.34,21 3.682,22 3.143,23 390,24 5.244,25 10.952,26 13.786,27 80.13,28 12.733,29 3.801,30 173.525,31 236.25,32 6300,33 2.535,34 347.24,35 0.676,37 4.913,38 15.64,39 10.092,40 2.71,41 3.222,42 2.468,43 9.865,44 29.989,45 0.878,46 10536,47 72,48 6.516,49 4.679,50 622.161,51 6313.91,52 88.671,53 19.969,54 2.849,55 143.028,56 340.748,57 3.241,58 2.347,60 484,61 3.384,62 3.894,63 1.776,64 1.533,65 3.746,66 -0.332,67 -0.448,68 -0.319,69 -0.332,70 6.5}
{0 CHEMBL1991008,1 2.815,2 0.906,3 2.696,5 6.25,6 2.729,7 1.162,8 2.718,9 2.127,10 3.56,11 1.9,12 3.306,13 0.02,14 0.02,15 5.49,16 2.571,17 1.627,18 100,19 2.118,20 209.27,21 2.065,22 2.384,23 219,24 3.829,25 8.643,26 10.958,27 64.914,28 9.278,29 1.821,30 109.627,31 178.2,32 3048,33 2.172,34 249.618,35 0.947,37 3.788,38 7.266,39 9.476,40 2.572,41 3.023,42 2.014,43 7.86,44 21.667,45 -0.305,46 4815,47 34,48 5.141,49 2.763,50 327.531,51 2745.73,52 62.683,53 15.737,54 1.466,55 113.182,56 267.924,57 3.046,58 2.102,59 6.823,60 242,61 3.208,62 3.042,63 1.531,64 1.385,65 3.533,66 -0.929,67 -1.388,68 -0.924,69 -0.929,70 4.6}
{0 CHEMBL1991078,1 2.903,2 2.377,3 3.803,5 14.412,6 3.969,7 3.884,8 4.043,9 3.268,10 9.574,11 3.909,12 3.885,13 0.306,14 0.008,15 20.349,16 3.957,17 3.866,18 490,19 3.97,20 454.53,21 6.191,22 3.916,23 1074,24 8.24,25 18.649,26 23.493,27 129.082,28 21.985,29 7.564,30 290.947,31 382.81,32 29175,33 2.95,34 540.592,35 0.381,37 5.765,38 42.363,39 13.485,40 3.212,41 3.696,42 2.927,43 16.64,44 50.168,45 1.912,46 51815,47 174,48 10.603,49 8.34,50 2226.55,51 34933.2,52 184.452,53 31.86,54 4.639,55 228.31,56 548.837,57 3.687,58 3.132,59 7.402,60 2246,61 3.842,62 4.616,63 1.969,64 1.885,65 4.269,66 1.287,67 1.833,68 1.255,69 1.287,70 6.3}
{0 CHEMBL1991138,2 2.294,3 3.679,5 13.5,6 3.881,7 3.974,8 4.116,9 3.176,10 9.4,11 4.201,12 3.804,13 0.282,14 0.007,15 34.925,16 4.313,17 4.089,18 459,19 4.051,20 453.64,21 5.982,22 4.182,23 1037,24 7.83,25 19.437,26 22.907,27 135.731,28 21.637,29 11.819,30 341.454,31 412.59,32 24539,33 2.968,34 568.841,35 0.374,37 5.846,38 43.516,39 12.706,40 3.217,41 3.802,42 2.918,43 16.742,44 45.095,45 1.677,46 38049,47 174,48 12.363,49 13.739,50 2177.22,51 33532,52 182.863,53 31.698,54 4.459,55 243.689,56 586.362,57 3.835,58 3.139,59 7.445,60 2358,61 3.806,62 5.02,63 2,64 1.891,65 4.28,66 1.22,67 1.779,68 1.191,69 1.22,70 5}
{0 CHEMBL1991143,2 1.347,3 3.075,5 8.833,6 3.174,7 3.06,8 3.789,9 2.634,10 5.365,11 3.373,12 3.736,13 0.168,14 0.012,15 17.962,16 3.624,17 3.204,18 212,19 3.554,20 339.8,21 3.407,22 3.501,23 464,24 4.992,25 13.872,26 17.508,27 92.879,28 15.242,29 6.117,30 179.157,31 279.85,32 9537,33 2.687,34 391.336,35 0.73,37 5.126,38 17.083,39 10.947,40 2.952,41 3.378,42 2.664,43 11.758,44 33.62,45 1.297,46 16977,47 84,48 7.849,49 7.081,50 875.942,51 9569.59,52 110.247,53 22.6,54 2.258,55 164.221,56 392.458,57 3.388,58 2.971,59 7.066,60 720,61 3.621,62 4.146,63 1.734,64 1.557,65 3.921,66 0.487,67 0.687,68 0.492,69 0.487,70 5}
{0 CHEMBL1991188,2 1.857,3 3.498,5 11.571,6 3.655,7 3.651,8 3.824,9 2.937,10 8.853,11 3.754,12 3.723,13 0.251,14 0.009,15 25.223,16 3.843,17 3.665,18 324,19 3.753,20 380.45,21 6.274,22 3.767,23 683,24 6.779,25 15.901,26 19.225,27 104.688,28 19.842,29 8.968,30 250.856,31 347.42,32 16447,33 2.819,34 493.874,35 0.581,37 5.905,38 27.357,39 10.232,40 3.063,41 3.518,42 2.733,43 13.118,44 49.743,45 1.564,46 28932,47 114,48 8.759,49 9.112,50 1381.64,51 18369.1,52 141.178,53 26.839,54 4.512,55 197.123,56 472.741,57 3.525,58 2.791,60 1258,61 3.639,62 4.658,63 1.808,64 1.709,65 4.054,66 0.899,67 1.21,68 0.898,69 0.899,70 5.1}
{0 CHEMBL1991285,2 1.973,3 3.631,5 12.9,6 3.804,7 4.052,8 3.995,9 3.111,10 9.86,11 3.962,12 3.799,13 0.394,14 0.01,15 27.232,16 3.959,17 3.893,18 387,19 3.956,20 429.9,21 7.225,22 3.885,23 810,24 7.475,25 16.94,26 22.173,27 107.55,28 21.982,29 9.037,30 269.438,31 374.65,32 22480,33 2.95,34 543.509,35 0.532,37 6.009,38 32.8,39 9.826,40 3.223,41 3.542,42 2.8,43 14.639,44 55.28,45 2.046,46 42893,47 154,48 9.691,49 8.978,50 1654.64,51 23931.2,52 156.333,53 28.722,54 5.903,55 209.452,56 502.824,57 3.534,58 3.17,59 6.581,60 1754,61 3.681,62 4.754,63 1.849,64 1.666,65 4.117,66 0.85,67 1.083,68 0.71,69 0.85,70 5.6}
{0 CHEMBL1991356,2 1.273,3 3.086,4 1,5 8.5,6 3.177,7 3.08,8 3.379,9 2.504,10 5.038,11 3.17,12 3.603,13 0.162,14 0.01,15 11.862,16 3.34,17 3.09,18 187,19 3.2,20 290.34,21 3.015,22 3.265,23 415,24 5.019,25 12.037,26 15.104,27 84.165,28 13.165,29 4.466,30 172.608,31 253.64,32 7600,33 2.585,34 338.885,35 0.666,37 5.113,38 15.388,39 10.824,40 2.777,41 3.316,42 2.619,43 10.758,44 29.811,45 1.017,46 12919,47 68,48 7.037,49 4.873,50 733.972,51 7741.35,52 99.119,53 21.222,54 2.143,55 149.094,56 355.548,57 3.321,58 2.437,59 6.88,60 534,61 3.58,62 3.983,63 1.61,64 1.493,65 3.849,66 0.427,67 0.48,68 0.366,69 0.427,70 6.8}
{0 CHEMBL1991377,1 2.625,2 1.211,3 2.972,5 7.857,6 3.095,7 3.105,8 3.392,9 2.453,10 4.659,11 2.598,12 3.388,13 0.128,14 0.01,15 7.984,16 2.999,17 2.685,18 165,19 3.358,20 293.27,21 3.05,22 3.038,23 348,24 4.796,25 10.862,26 12.698,27 71.53,28 13.748,29 3.141,30 144.07,31 222.5,32 8009,33 2.276,34 312.412,35 0.802,37 5.437,38 13.256,39 10.113,40 2.683,41 3.168,42 2.244,43 8.648,44 32.049,45 0.854,46 16206,47 57,48 6.086,49 4.107,50 649.935,51 6643.67,52 92.774,53 20.239,54 2.419,55 130.365,56 309.85,57 3.125,58 2.608,59 6.862,60 512,61 3.185,62 3.728,63 1.516,64 1.268,65 3.774,66 -0.471,67 -0.594,68 -0.45,69 -0.471,70 5.3}
{0 CHEMBL1991395,2 1.562,3 3.341,5 10.69,6 3.518,7 3.733,8 4.078,9 2.862,10 7.765,11 3.827,12 3.769,13 0.372,14 0.012,15 25.468,16 4.021,17 3.736,18 310,19 3.93,20 392.48,21 5.164,22 3.946,23 665,24 6.297,25 16.172,26 19.562,27 108.712,28 19.285,29 8.35,30 252.683,31 333.28,32 16648,33 2.763,34 495.252,35 0.577,37 5.822,38 27.857,39 12.08,40 2.972,41 3.544,42 2.735,43 13.572,44 44.432,45 1.268,46 29033,47 124,48 9.229,49 8.821,50 1428.42,51 18920.2,52 145.527,53 27.145,54 4.056,55 199.322,56 478.106,57 3.542,58 3.039,59 7.066,60 1468,61 3.675,62 4.721,63 1.926,64 1.785,65 4.104,66 1,67 1.5,68 1,69 1,70 5.7}
{0 CHEMBL1991410,1 3.046,2 1.525,3 3.304,4 1,5 10.185,6 3.473,7 3.9,8 4.028,9 2.713,10 6.973,11 3.443,12 3.885,13 0.323,14 0.011,15 13.483,16 3.563,17 3.455,18 275,19 3.861,20 384.79,21 4.504,22 3.556,23 601,24 6.128,25 14.389,26 17.725,27 97.787,28 17.44,29 4.965,30 191.421,31 295.32,32 16112,33 2.797,34 395.141,35 0.549,36 1,37 5.735,38 21.369,39 11.8,40 3.117,41 3.432,42 2.666,43 12.492,44 40.143,45 1.465,46 32412,47 87,48 8.259,49 5.17,50 1218.88,51 15428.5,52 132.796,53 25.67,54 3.362,55 173.153,56 414.252,57 3.409,58 2.787,59 6.843,60 1054,61 3.69,62 4.118,63 1.856,64 1.772,65 4.035,66 1.026,67 1.533,68 0.987,69 1.026,70 5.3}
{0 CHEMBL1991429,2 2.789,3 3.921,5 15.907,6 4.135,7 4.366,8 4.521,9 3.392,10 11.981,11 4.407,12 3.881,13 0.526,14 0.008,15 36.318,16 4.463,17 4.328,18 684,19 4.437,20 585.74,21 7.606,22 4.376,23 1535,24 9.281,25 23.921,26 29.528,27 166.611,28 27.298,29 13.11,30 396.685,31 495.75,32 52665,33 3.27,34 668.975,35 0.311,37 6.154,38 62.027,39 16.059,40 3.614,41 3.969,42 3.104,43 21.557,44 58.175,45 2.257,46 93602,47 269,48 14.892,49 13.666,50 3734.35,51 68816.8,52 249.022,53 38.299,54 5.884,55 292.482,56 705.415,57 3.993,58 3.403,59 7.854,60 4473,61 3.854,62 5.079,63 2,64 1.896,65 4.511,66 1.447,67 2.093,68 1.419,69 1.447,70 7.3}
{0 CHEMBL1991434,2 1.424,3 3.284,5 9.917,6 3.399,7 3.761,8 3.888,9 2.709,10 7.199,11 3.352,12 3.803,13 0.268,14 0.012,15 16.122,16 3.494,17 3.295,18 238,19 3.965,20 388.23,21 5.023,22 3.442,23 502,24 5.756,25 14.663,26 18.104,27 93.83,28 16.743,29 5.31,30 169.157,31 302.76,32 11275,33 2.729,34 419.136,35 0.663,37 5.342,38 19.333,39 10.084,40 3.051,41 3.352,42 2.686,43 12.195,44 39.175,45 1.128,46 21212,47 85,48 7.908,49 6.672,50 938,51 10914.5,52 113.497,53 23.248,54 3.551,55 169.599,56 405.581,57 3.357,58 2.521,59 6.804,60 828,61 3.509,62 4.035,63 1.608,64 1.471,65 3.908,66 0.367,67 0.4,68 0.313,69 0.367,70 5.8}
{0 CHEMBL1991674,1 3.129,2 1.465,3 3.289,4 1,5 9.958,6 3.408,7 3.43,8 3.858,9 2.736,10 6.575,11 3.525,12 3.729,13 0.218,14 0.011,15 20.613,16 3.666,17 3.404,18 239,19 3.718,20 343.85,21 4.293,22 3.555,23 530,24 5.772,25 13.793,26 17.018,27 92.956,28 15.67,29 5.8,30 206.477,31 281.04,32 10403,33 2.786,34 415.415,35 0.56,36 1,37 5.247,38 18.833,39 10.598,40 3.017,41 3.399,42 2.531,43 11.975,44 33.843,45 1.037,46 18037,47 90,48 8.483,49 6.379,50 940.624,51 10888.1,52 113.484,53 23.316,54 3.356,55 170.075,56 406.744,57 3.411,58 2.672,59 6.843,60 776,61 3.607,62 4.246,63 1.78,64 1.713,65 3.929,66 0.489,67 0.721,68 0.457,69 0.489,70 7.9}
{0 CHEMBL1991678,2 1.538,3 3.323,5 10.774,6 3.524,7 3.918,8 4.243,9 2.845,10 8.201,11 3.983,12 3.776,13 0.508,14 0.015,15 31.213,16 4.139,17 3.897,18 334,19 4.156,20 424.5,21 5.593,22 4.098,23 711,24 6.378,25 17.395,26 20.433,27 113.52,28 21.14,29 10.296,30 277.315,31 356.65,32 19756,33 2.866,34 524.163,35 0.597,37 6.107,38 30.108,39 12.263,40 3.01,41 3.598,42 2.733,43 13.982,44 49.046,45 1.491,46 35139,47 140,48 9.762,49 9.917,50 1638.61,51 22563.4,52 158.225,53 28.518,54 4.214,55 210.113,56 504.435,57 3.59,58 3.074,59 7.081,60 1750,61 3.679,62 4.909,63 1.945,64 1.79,65 4.163,66 1.1,67 1.626,68 1.045,69 1.1,70 5.7}
{0 CHEMBL1991725,1 3.315,2 1.92,3 3.685,4 1,5 13.472,6 3.889,7 4.165,8 4.143,9 3.058,10 10.902,11 4.292,12 3.795,13 0.416,14 0.008,15 40.195,16 4.301,17 4.209,18 485,19 4.192,20 479.63,21 7.264,22 4.222,23 1066,24 8.127,25 20.44,26 24.907,27 140.891,28 23.989,29 13.646,30 363.944,31 432.22,32 30936,33 3.062,34 611.373,35 0.388,37 6.153,38 39.778,39 13.494,40 3.311,41 3.807,42 2.961,43 17.547,44 54.325,45 1.637,46 51784,47 172,48 11.961,49 13.204,50 2449.84,51 40444.1,52 197.841,53 33.187,54 5.928,55 255.889,56 616.13,57 3.828,58 3.191,59 6.823,60 2632,61 3.725,62 5.143,63 1.917,64 1.797,65 4.325,66 1.542,67 1.977,68 1.469,69 1.542,70 5}
{0 CHEMBL1991734,2 0.964,3 2.756,5 6.609,6 2.885,7 2.666,8 3.797,9 2.114,10 5.321,11 3.402,12 3.726,13 0.102,14 0.013,15 23.372,16 3.856,17 3.115,18 152,19 3.407,20 301.42,21 3.275,22 3.683,23 332,24 4.478,25 13.03,26 15.974,27 97.165,28 14.158,29 8.55,30 178.968,31 281.66,32 6948,33 2.675,34 378.704,35 0.822,37 5.334,38 14.397,39 10.809,40 2.78,41 3.419,42 2.688,43 11.148,44 31.359,45 1.05,46 10741,47 62,48 7.725,49 8.731,50 729.912,51 7997.27,52 102.815,53 21.505,54 2.265,55 167.08,56 399.435,57 3.459,58 2.946,60 668,61 3.718,62 4.537,63 1.89,64 1.781,65 3.889,66 0.308,67 0.39,68 0.304,69 0.308,70 6.3}
{0 CHEMBL1991800,2 1.636,3 3.4,5 11,6 3.601,7 4.085,8 4.288,9 2.89,10 8.719,11 4.239,12 3.79,13 0.489,14 0.011,15 34.921,16 4.332,17 4.136,18 363,19 4.175,20 446.58,21 5.756,22 4.242,23 795,24 6.737,25 18.793,26 22.131,27 125.278,28 21.788,29 12.385,30 312.904,31 390.12,32 21993,33 2.901,34 567.192,35 0.506,37 6.059,38 35.515,39 12.261,40 3.234,41 3.718,42 2.859,43 15.538,44 47.421,45 1.558,46 36631,47 156,48 11.234,49 12.225,50 1901.56,51 27667.5,52 172.342,53 30.186,54 4.839,55 230.298,56 553.688,57 3.734,58 3.27,59 7.784,60 2145,61 3.734,62 5.048,63 1.954,64 1.792,65 4.231,66 1.128,67 1.655,68 1.055,69 1.128,70 5.4}
{0 CHEMBL1991818,2 0.992,3 2.819,5 7.16,6 2.929,7 2.839,8 3.949,9 2.217,10 5.794,11 3.581,12 3.687,13 0.139,14 0.014,15 26.882,16 4.073,17 3.307,18 179,19 3.538,20 331.45,21 3.709,22 3.868,23 389,24 4.565,25 14.107,26 17.604,27 104.076,28 16.001,29 9.337,30 220.574,31 307.75,32 8461,33 2.686,34 436.122,35 0.856,37 5.474,38 16.32,39 11.012,40 2.972,41 3.488,42 2.712,43 12.052,44 35.313,45 1.186,46 13223,47 70,48 8.408,49 12.76,50 878.763,51 9994.94,52 114.436,53 22.957,54 2.311,55 180.669,56 432.591,57 3.52,58 2.962,60 805,61 3.674,62 4.682,63 1.864,64 1.743,65 3.963,66 0.852,67 1.006,68 0.814,69 0.852,70 5.5}
{0 CHEMBL1991867,1 2.601,2 0.6,3 2.15,5 4,6 2.076,8 0.557,9 1.571,10 2.067,12 3.036,18 40,20 174.63,21 1.315,23 84,24 2.599,25 6.33,26 7.991,27 40.344,28 6.365,30 46.106,31 101.04,32 1203,33 0.181,34 159.469,35 1.691,36 1,38 3.08,39 6.883,40 1.623,41 2.436,42 0.38,43 5.468,44 13.279,45 -1.564,46 2266,47 13,48 3.725,50 93.416,51 565.637,52 30.378,53 9.563,54 0.912,55 72.212,56 167.957,57 2.465,58 0.078,59 7.486,60 52,61 2.441,63 0.919,64 1.039,65 3.054,66 -2,67 -3,68 -1.799,69 -2,70 4.3}
{0 CHEMBL1992042,2 1.862,3 3.616,5 12.909,6 3.766,7 3.781,8 4.091,9 3.097,10 8.079,11 4.034,12 3.836,13 0.301,14 0.009,15 26.967,16 4.226,17 3.913,18 426,19 3.892,20 434.54,21 4.909,22 4.083,23 969,24 7.235,25 17.963,26 21.493,27 131.302,28 20.053,29 11.221,30 301.702,31 395.04,32 23882,33 2.928,34 511.516,35 0.405,37 5.753,38 34.553,39 13.77,40 3.296,41 3.769,42 2.955,43 15.776,44 43.293,45 1.877,46 41543,47 168,48 11.29,49 13.532,50 1988.37,51 28816.1,52 173.962,53 30.504,54 3.581,55 225.315,56 541.528,57 3.801,58 3.226,59 6.629,60 1876,61 3.828,62 4.786,63 1.978,64 1.875,65 4.256,66 1.223,67 1.702,68 1.218,69 1.223,70 5.3}
{0 CHEMBL1992073,1 3.152,2 1.453,3 3.138,4 1,5 8.808,6 3.322,7 3.684,8 3.93,9 2.551,10 5.964,11 3.802,12 3.786,13 0.333,14 0.014,15 31.351,16 4.043,17 3.649,18 229,19 3.883,20 373.53,21 3.803,22 3.873,23 520,24 5.602,25 15.537,26 18.139,27 97.83,28 16.579,29 9.241,30 250.366,31 303.35,32 11718,33 2.609,34 431.809,35 0.555,37 5.778,38 20.385,39 10.92,40 3.154,41 3.535,42 2.601,43 13.386,44 33.763,45 1.197,46 19825,47 81,48 10.917,49 11.971,50 1079.66,51 12986.2,52 124.632,53 24.571,54 2.853,55 184.924,56 442.973,57 3.581,58 2.917,59 8.343,60 962,61 3.776,62 4.771,63 1.818,64 1.718,65 4.002,66 0.638,67 0.895,68 0.597,69 0.638,70 5.3}
{0 CHEMBL1992125,2 1.711,3 3.5,5 11.667,6 3.653,7 3.7,8 3.92,9 2.911,10 8.962,11 3.765,12 3.713,13 0.32,14 0.01,15 25.523,16 3.909,17 3.7,18 350,19 3.806,20 407.52,21 6.136,22 3.808,23 753,24 6.844,25 17.599,26 21.087,27 116.656,28 20.542,29 6.484,30 265.936,31 364.63,32 18017,33 2.946,34 523.06,35 0.507,37 5.642,38 27.129,39 11.384,40 3.143,41 3.588,42 2.894,43 14.622,44 47.054,45 1.703,46 29674,47 116,48 9.758,49 9.056,50 1589.09,51 21963,52 153.899,53 28.173,54 4.268,55 211.842,56 508.654,57 3.583,58 2.972,60 1408,61 3.522,62 4.67,63 1.818,64 1.637,65 4.139,66 1.126,67 1.182,68 0.93,69 1.126,70 5.9}
{0 CHEMBL1992220,1 3.162,2 2.007,3 3.639,4 1,5 13.069,6 3.804,7 3.662,8 4.046,9 3.112,10 9.077,11 3.859,12 3.768,13 0.288,14 0.011,15 32.154,16 3.985,17 3.702,18 379,19 3.908,20 413.96,21 6.285,22 3.839,23 824,24 7.391,25 16.961,26 20.717,27 114.479,28 20.081,29 9.247,30 262.825,31 352.3,32 18559,33 2.921,34 507.96,35 0.451,36 1,37 5.551,38 31.553,39 11.051,40 3.242,41 3.569,42 2.822,43 14.407,44 44.943,45 1.511,46 31869,47 152,48 10.278,49 9.92,50 1544.44,51 21448.3,52 149.357,53 27.915,54 4.863,55 209.514,56 502.973,57 3.584,58 2.936,59 6.843,60 1431,61 3.609,62 4.708,63 1.846,64 1.722,65 4.107,66 1.022,67 1.071,68 0.986,69 1.022,70 8.2}
{0 CHEMBL1992231,2 1.708,3 3.343,5 10.292,6 3.51,7 3.269,8 3.59,9 2.772,10 7.025,11 3.13,12 3.697,13 0.217,14 0.011,15 10.764,16 3.292,17 3.12,18 247,19 3.47,20 325.33,21 4.637,22 3.302,23 524,24 6.19,25 12.271,26 16.071,27 86.393,28 15.841,29 3.567,30 167.362,31 267.83,32 12339,33 2.563,34 382.063,35 0.583,37 5.396,38 20.417,39 10.415,40 2.886,41 3.281,42 2.476,43 11.22,44 39.333,45 1.202,46 24092,47 92,48 6.926,49 3.535,50 968.877,51 11604.5,52 115.061,53 23.605,54 4.044,55 155.956,56 372.292,57 3.241,58 2.716,60 818,61 3.494,62 3.995,63 1.674,64 1.609,65 3.911,66 0.196,67 0.237,68 0.176,69 0.196,70 5.3}
{0 CHEMBL1992242,2 1.959,3 3.456,5 11.37,6 3.698,7 3.402,8 3.661,9 2.852,10 7.493,11 3.503,12 3.836,13 0.244,14 0.011,15 14.08,16 3.573,17 3.406,18 307,19 3.4,20 373.51,21 4.909,22 3.465,23 675,24 7.127,25 15.931,26 19.156,27 111.923,28 17.687,29 5.634,30 215.819,31 327.38,32 15356,33 2.822,34 454.614,35 0.439,37 5.154,38 25.915,39 11.639,40 3.067,41 3.54,42 2.752,43 13.535,44 40.541,45 1.528,46 26058,47 89,48 9.459,49 6.247,50 1298.01,51 17399.9,52 136.17,53 26.365,54 4.011,55 195.537,56 468.87,57 3.589,58 2.879,59 6.605,60 1072,61 3.783,62 4.157,63 1.877,64 1.778,65 4.037,66 1,67 1.5,68 0.968,69 1,70 5}
{0 CHEMBL1992306,2 2.414,3 3.773,5 14.161,6 3.993,7 3.599,8 3.772,9 3.268,10 9.604,11 3.578,12 3.788,13 0.361,14 0.013,15 15.909,16 3.661,17 3.552,18 439,19 3.833,20 430.42,21 6.905,22 3.639,23 917,24 8.491,25 16.157,26 19.933,27 105.654,28 22.286,29 6.162,30 243.814,31 361.62,32 28134,33 2.784,34 492.672,35 0.451,37 5.639,38 36.208,39 10.755,40 3.257,41 3.531,42 2.767,43 13.529,44 58.736,45 1.788,46 56702,47 142,48 8.957,49 6.671,50 1856.9,51 28608.5,52 165.977,53 29.938,54 6.286,55 200.589,56 481.196,57 3.491,58 3.076,60 1689,61 3.731,62 4.375,63 1.896,64 1.8,65 4.149,66 1.102,67 1.566,68 1.068,69 1.102,70 5}
{0 CHEMBL1992323,2 0.898,3 2.548,5 5.467,6 2.568,7 0.233,8 2.634,9 1.966,10 3.003,11 0.566,12 3.339,15 3.089,16 1.644,17 0.355,18 82,19 2.218,20 220.62,21 1.762,22 1.514,23 179,24 3.479,25 8.207,26 10.914,27 53.809,28 8.798,29 0.477,30 86.439,31 161.63,32 3126,33 1.713,34 216.549,35 1.078,37 1.962,38 6.72,39 9.002,40 2.513,41 2.863,42 1.251,43 7.543,44 19.799,45 0.167,46 6156,47 27,48 4.688,49 1.373,50 269.644,51 2136.18,52 56.382,53 14.563,54 1.233,55 96.863,56 228.106,57 2.825,58 2.183,59 7.066,60 159,61 2.931,62 1.378,63 1.182,64 0.985,65 3.471,66 -1,67 -1.322,68 -0.89,69 -1,70 5}
{0 CHEMBL1992342,1 2.862,2 1.773,3 3.299,5 10.217,6 3.492,7 3.197,8 3.404,9 2.736,10 6.222,11 3.273,12 3.789,13 0.231,14 0.015,15 17.878,16 3.43,17 3.116,18 235,19 3.319,20 330.45,21 4.286,22 3.293,23 502,24 6.111,25 13.521,26 16.699,27 94.331,28 15.841,29 5.636,30 196.15,31 277.19,32 9949,33 2.63,34 392.31,35 0.589,37 5.171,38 20.363,39 10.286,40 2.914,41 3.363,42 2.54,43 11.836,44 37.098,45 1,46 17297,47 86,48 8.981,49 5.508,50 883.558,51 10179.3,52 108.623,53 22.746,54 3.489,55 167.877,56 401.379,57 3.413,58 2.486,59 6.804,60 685,61 3.738,62 4.139,63 1.879,64 1.719,65 3.865,66 0.052,67 0.064,68 0.05,69 0.052,70 5.1}
{0 CHEMBL1992363,1 2.929,2 2.397,3 3.793,5 14.364,6 3.97,7 3.772,8 3.969,9 3.283,10 8.985,11 3.898,12 3.879,13 0.275,14 0.008,15 21.151,16 3.918,17 3.831,18 474,19 3.933,20 437.55,21 5.738,22 3.881,23 1043,24 8.218,25 18.357,26 22.786,27 130.585,28 21.074,29 7.355,30 284.192,31 376.23,32 26095,33 2.903,34 530.26,35 0.376,37 5.745,38 41.752,39 13.381,40 3.26,41 3.688,42 2.853,43 16.064,44 48.033,45 1.563,46 44126,47 164,48 10.58,49 7.048,50 2096.28,51 32351.2,52 177.785,53 31.196,54 4.556,55 227.112,56 545.914,57 3.698,58 3.135,59 7.402,60 2104,61 3.854,62 4.61,63 2.002,64 1.905,65 4.24,66 1.162,67 1.64,68 1.123,69 1.162,70 6.8}
{0 CHEMBL1992371,2 1.283,3 3.14,5 8.81,6 3.271,7 3.005,8 3.231,9 2.512,10 5.771,11 3.047,12 3.459,13 0.107,14 0.007,15 8.102,16 3.086,17 3.009,18 185,19 3.155,20 280.31,21 3.666,22 3.063,23 400,24 5.353,25 10.946,26 14.656,27 76.635,28 13.339,29 2.923,30 160.465,31 236.1,32 7746,33 2.528,34 341.867,35 0.655,37 4.932,38 14.34,39 9.997,40 2.702,41 3.197,42 2.367,43 10.237,44 32.219,45 1,46 14036,47 65,48 6.286,49 3.375,50 686.839,51 7310.79,52 94.853,53 20.83,54 2.931,55 141.298,56 336.528,57 3.177,58 2.415,60 549,61 3.397,62 3.746,63 1.658,64 1.491,65 3.787,66 -0.174,67 -0.221,68 -0.163,69 -0.174,70 5.3}
{0 CHEMBL1992473,2 2.493,3 3.891,5 15.936,6 4.105,7 4.666,8 4.773,9 3.367,10 13.358,11 4.674,12 3.904,13 0.702,14 0.009,15 52.227,16 4.705,17 4.604,18 749,19 4.778,20 652.79,21 8.863,22 4.643,23 1660,24 9.148,25 26.392,26 31.106,27 179.553,28 31.185,29 18.346,30 427.523,31 538.83,32 65165,33 3.274,34 731.533,35 0.337,37 6.543,38 64.998,39 16.289,40 3.552,41 4.025,42 3.154,43 22.501,44 66.243,45 2.354,46 120654,47 299,48 15.799,49 17.615,50 4437.61,51 84091.3,52 276.156,53 40.579,54 6.31,55 314.192,56 758.389,57 4.031,58 3.325,59 7.535,60 5317,61 3.851,62 5.386,63 1.95,64 1.871,65 4.592,66 1.8,67 2.294,68 1.678,69 1.8,70 5.9}
{0 CHEMBL1992536,1 2.869,2 1.808,3 3.496,5 11.577,6 3.653,7 3.552,8 3.655,9 2.969,10 6.75,11 3.479,12 3.805,13 0.302,14 0.012,15 17.756,16 3.57,17 3.455,18 301,19 3.657,20 348.39,21 4.288,22 3.568,23 663,24 6.738,25 13.97,26 18.096,27 98.998,28 16.517,29 5.86,30 207.722,31 299.09,32 14493,33 2.687,34 426.074,35 0.471,37 5.638,38 23.538,39 12.053,40 2.877,41 3.433,42 2.735,43 12.652,44 38.158,45 1.279,46 26216,47 118,48 7.98,49 5.482,50 1187.29,51 15226.3,52 128.852,53 25.448,54 3.157,55 173.343,56 414.718,57 3.417,58 2.518,59 6.581,60 1090,61 3.723,62 4.377,63 1.789,64 1.751,65 3.999,66 0.764,67 0.831,68 0.689,69 0.764,70 5}
{0 CHEMBL1992555,1 3.195,2 2.188,3 3.725,5 13.517,6 3.931,7 3.565,8 3.727,9 3.125,10 8.409,11 3.459,12 3.904,13 0.172,14 0.007,15 10.153,16 3.466,17 3.417,18 392,19 3.619,20 407.44,21 5.534,22 3.454,23 856,24 8.163,25 15.55,26 20.571,27 107.782,28 19.086,29 4.955,30 219.722,31 321.21,32 23281,33 2.818,34 449.594,35 0.378,37 5.324,38 30.97,39 12.406,40 3.257,41 3.49,42 2.777,43 14.489,44 45.175,45 1.593,46 46040,47 111,48 9.203,49 4.957,50 1595.81,51 23463.9,52 152.174,53 28.431,54 4.605,55 189.41,56 453.92,57 3.486,58 2.759,59 7.391,60 1403,61 3.758,62 4.107,63 1.684,64 1.562,65 4.104,66 1,67 1.583,68 1,69 1,70 5}
{0 CHEMBL1992581,2 2.166,3 3.664,5 13.077,6 3.845,7 3.379,8 3.459,9 3.142,10 8.707,11 3.441,12 3.7,13 0.238,14 0.011,15 15.611,16 3.48,17 3.345,18 340,19 3.466,20 370.45,21 6.112,22 3.376,23 723,24 7.585,25 14.549,26 17.131,27 99.757,28 18.252,29 6.234,30 203.722,31 319.82,32 16884,33 2.687,34 439.088,35 0.464,37 5.328,38 29.29,39 10.141,40 2.876,41 3.452,42 2.735,43 12.299,44 44.803,45 1.209,46 32346,47 108,48 8.82,49 5.642,50 1249.59,51 16728.1,52 131.381,53 25.97,54 5.479,55 182.275,56 436.512,57 3.491,58 2.73,60 1064,61 3.653,62 4.155,63 1.866,64 1.734,65 3.988,66 1,67 1.5,68 0.953,69 1,70 6}
{0 CHEMBL1992607,2 0.663,3 2.266,5 4.385,6 2.237,8 0.997,9 1.42,10 3.183,12 3.13,16 0.953,18 57,19 0.075,20 179.21,21 2.022,22 0.567,23 118,24 3.036,25 6.872,26 9.259,27 49.784,28 8.257,30 88.107,31 147.27,32 1861,33 1.478,34 211.866,35 1.429,38 4.355,39 7.009,40 2.007,41 2.685,42 1.322,43 6.288,44 18.901,45 -0.425,46 3123,47 16,48 3.914,49 0.72,50 174.489,51 1332.38,52 45.446,53 12.586,54 1.424,55 89.388,56 209.867,57 2.634,58 1.198,59 5.198,60 122,61 2.905,63 1.253,64 1.047,65 3.311,66 -1.524,67 -1.901,68 -1.475,69 -1.524,70 4.5}
{0 CHEMBL1992634,1 3.182,2 0.977,3 2.734,4 1,5 6.313,6 2.778,7 2.334,8 3.279,9 2.18,10 3.853,11 2.051,12 3.734,13 0.02,14 0.01,15 13.321,16 2.685,17 1.751,18 101,19 3.033,20 273.14,21 2.351,22 2.45,23 221,24 3.923,25 10.03,26 11.958,27 67.699,28 9.761,29 2.149,30 105.342,31 186.48,32 3392,33 2.118,34 262.361,35 0.915,37 3.486,38 8.016,39 9.478,40 2.687,41 3.027,42 1.858,43 8.421,44 21.701,45 0.137,46 5856,47 34,48 5.818,49 3.216,50 333.356,51 2795.9,52 62.976,53 15.824,54 1.72,55 118.301,56 280.415,57 3.069,58 2.028,59 6.843,60 242,61 3.314,62 2.69,63 1.576,64 1.421,65 3.533,66 -0.909,67 -1.342,68 -0.838,69 -0.909,70 8.1}
{0 CHEMBL1992673,2 0.827,3 2.512,5 5.4,6 2.518,7 0.007,8 2.7,9 1.909,10 2.971,11 0.135,12 3.313,15 0.696,16 1.156,17 0.067,18 81,19 1.696,20 220.63,21 1.73,22 1.052,23 177,24 3.406,25 8.193,26 10.914,27 55.229,28 8.738,29 0.14,30 86.439,31 157.54,32 3094,33 1.844,34 217.708,35 1.101,37 0.693,38 6.196,39 8.696,40 2.304,41 2.83,42 1.359,43 7.543,44 19.769,45 0.172,46 6088,47 27,48 4.646,49 0.698,50 264.406,51 2106.41,52 56.174,53 14.498,54 1.216,55 96.863,56 228.106,57 2.786,58 1.79,59 6.629,60 164,61 2.963,62 0.635,63 1.341,64 1.204,65 3.469,66 -1.144,67 -1.563,68 -1.067,69 -1.144,70 4.3}
{0 CHEMBL1992723,2 0.853,3 2.606,5 5.733,6 2.644,7 0.39,8 2.516,9 1.933,10 3.336,11 1.289,12 3.245,15 2.988,16 2.337,17 0.982,18 86,19 1.708,20 194.25,21 1.866,22 2.105,23 191,24 3.661,25 8.168,26 10.088,27 59.539,28 8.392,29 1.113,30 102.096,31 167.2,32 2555,33 1.796,34 237.345,35 0.969,37 2.89,38 6.516,39 9.315,40 2.438,41 2.967,42 1.728,43 7.449,44 19.83,45 -0.435,46 3965,47 30,48 4.925,49 2.531,50 277.582,51 2237.84,52 57.111,53 14.833,54 1.356,55 106.388,56 251.346,57 2.992,58 2,59 6.605,60 206,61 3.231,62 2.414,63 1.561,64 1.395,65 3.477,66 -1,67 -1.5,68 -0.968,69 -1,70 4.5}
{0 CHEMBL1992740,1 2.732,2 2.164,3 3.736,5 14.032,6 3.932,7 3.747,8 3.895,9 3.244,10 9.672,11 3.701,12 3.754,13 0.332,14 0.011,15 25.588,16 3.774,17 3.651,18 435,19 3.884,20 429.53,21 6.74,22 3.748,23 943,24 8.062,25 17.367,26 20.054,27 113.254,28 21.603,29 6.565,30 280.457,31 366.53,32 23457,33 2.874,34 516.651,35 0.414,37 5.872,38 36.239,39 11.049,40 3.199,41 3.603,42 2.902,43 14.225,44 49.758,45 1.537,46 40278,47 175,48 10.456,49 6.5,50 1828.2,51 27311.9,52 164.429,53 29.737,54 5.001,55 213.17,56 511.894,57 3.6,58 3.093,59 6.823,60 1782,61 3.677,62 4.671,63 1.884,64 1.727,65 4.168,66 1.097,67 1.186,68 1.073,69 1.097,70 5}
{0 CHEMBL1992922,1 3.12,2 1.202,3 2.991,4 1,5 7.762,6 3.086,7 2.753,8 3.577,9 2.439,10 6.119,11 3.142,12 3.537,13 0.054,14 0.005,15 15.618,16 3.439,17 2.984,18 163,19 3.347,20 284.35,21 4.038,22 3.353,23 344,24 4.823,25 11.322,26 14.656,27 81.692,28 13.86,29 4.996,30 167.995,31 241.38,32 6754,33 2.621,34 373.022,35 0.802,37 5.16,38 14.458,39 10.011,40 2.826,41 3.236,42 2.556,43 10.33,44 31.891,45 1,46 11567,47 59,48 6.689,49 5.355,50 648.086,51 6752.56,52 93.003,53 20.373,54 2.704,55 147.153,56 350.814,57 3.231,58 2.283,59 6.862,60 580,61 3.454,62 4.152,63 1.747,64 1.567,65 3.787,66 0.193,67 0.217,68 0.168,69 0.193,70 6.4}
{0 CHEMBL1992937,1 3.04,2 1.475,3 3.206,5 9.25,6 3.322,7 2.78,8 3.155,9 2.709,10 4.907,11 2.879,12 3.666,13 0.209,14 0.017,15 6.97,16 2.974,17 2.824,18 185,19 2.975,20 269.29,21 3.085,22 2.928,23 396,24 5.411,25 10.622,26 14.113,27 73.451,28 12.573,29 2.565,30 146.825,31 215.14,32 7202,33 2.429,34 310.436,35 0.642,37 4.8,38 15.36,39 10.002,40 2.753,41 3.121,42 2.359,43 9.614,44 30.129,45 1,46 13152,47 64,48 5.955,49 2.912,50 631.126,51 6446.74,52 89.176,53 20.033,54 2.632,55 131.835,56 313.439,57 3.095,58 2.484,59 6.823,60 464,61 3.324,62 3.621,63 1.574,64 1.425,65 3.736,66 -0.471,67 -0.592,68 -0.447,69 -0.471,70 5.4}
{0 CHEMBL1993243,2 1.725,3 3.281,5 9.88,6 3.426,7 3.395,8 3.904,9 2.779,10 6.558,11 3.452,12 3.625,13 0.26,14 0.012,15 20.872,16 3.639,17 3.349,18 247,19 3.772,20 353.43,21 4.252,22 3.574,23 541,24 5.83,25 14.223,26 17.742,27 98.898,28 16.21,29 6.944,30 202.122,31 291.94,32 11999,33 2.717,34 396.888,35 0.588,37 5.456,38 22.323,39 11.409,40 3.081,41 3.418,42 2.683,43 12.623,44 35.857,45 1.141,46 22069,47 100,48 8.506,49 6.611,50 1027.92,51 12116.4,52 119.385,53 24.028,54 2.929,55 171.015,56 409.037,57 3.433,58 2.717,59 7.434,60 909,61 3.501,62 4.292,63 1.72,64 1.541,65 3.965,66 0.695,67 0.963,68 0.604,69 0.695,70 7.4}
{0 CHEMBL1993335,1 3.234,2 1.166,3 3.007,4 2,5 7.905,6 3.1,7 3.585,8 3.555,9 2.453,10 4.567,11 2.929,12 3.939,13 0.184,14 0.014,15 11.729,16 3.19,17 2.832,18 166,19 3.558,20 345.19,21 2.792,22 3.131,23 369,24 4.799,25 12.648,26 14.69,27 82.09,28 12.839,29 2.913,30 148.825,31 223.25,32 7586,33 2.643,34 309.772,35 0.691,37 4.94,38 13.914,39 11.403,40 2.829,41 3.232,42 2.318,43 10.298,44 27.93,45 0.816,46 14604,47 60,48 7.172,49 4.761,50 650.96,51 6623.51,52 92.713,53 20.291,54 2.036,55 141.952,56 338.123,57 3.232,58 2.552,59 7.636,60 508,61 3.368,62 3.574,63 1.79,64 1.665,65 3.8,66 -0.251,67 -0.313,68 -0.208,69 -0.251,70 5.3}
{0 CHEMBL1993374,2 1.324,3 3.045,5 7.947,6 3.172,7 3.097,8 3.568,9 2.484,10 6.483,11 3.187,12 3.621,13 0.117,14 0.012,15 20.259,16 3.323,17 2.958,18 151,19 3.239,20 297.85,21 4.938,22 3.149,23 309,24 5.043,25 12.587,26 14.682,27 81.255,28 14.474,29 5.036,30 157.26,31 245.16,32 5639,33 2.499,34 382.048,35 0.83,37 4.864,38 14.288,39 8.017,40 2.821,41 3.141,42 2.236,43 9.801,44 33.611,45 0.618,46 9059,47 48,48 7.273,49 5.132,50 542.352,51 5428.48,52 82.751,53 19.059,54 4.013,55 149.89,56 357.492,57 3.202,58 2.02,59 6.26,60 427,61 3.567,62 3.982,63 1.624,64 1.357,65 3.661,66 -0.695,67 -0.794,68 -0.516,69 -0.695,70 5.3}
{0 CHEMBL1993413,1 3.13,2 1.485,3 3.312,4 1,5 10.04,6 3.439,7 3.542,8 3.905,9 2.739,10 6.575,11 3.455,12 3.839,13 0.233,14 0.01,15 14.75,16 3.571,17 3.377,18 251,19 3.721,20 348.81,21 4.121,22 3.505,23 555,24 5.923,25 13.787,26 17.725,27 97.354,28 15.67,29 4.828,30 188.666,31 283.18,32 12156,33 2.687,34 389.473,35 0.55,36 1,37 5.316,38 20.09,39 11.497,40 3.117,41 3.407,42 2.666,43 12.492,44 35.881,45 1.323,46 22238,47 86,48 8.048,49 5.053,50 1031.65,51 12360.5,52 119.999,53 24.167,54 3.213,55 170.756,56 408.405,57 3.413,58 2.653,59 6.843,60 844,61 3.69,62 4.062,63 1.857,64 1.773,65 3.967,66 1,67 1.478,68 0.979,69 1,70 5.6}
{0 CHEMBL1993424,2 1.819,3 3.44,4 1,5 10.963,6 3.615,7 3.61,8 3.772,9 2.921,10 7.026,11 3.632,12 3.804,13 0.259,14 0.01,15 15.711,16 3.731,17 3.544,18 296,19 3.772,20 379.48,21 4.561,22 3.652,23 643,24 6.625,25 15.096,26 19.105,27 105.045,28 17.527,29 5.92,30 220.215,31 308.91,32 15566,33 2.687,34 428.332,35 0.496,37 5.441,38 25.221,39 11.934,40 2.995,41 3.493,42 2.735,43 13.882,44 40.268,45 1.239,46 28221,47 101,48 9.793,49 6.605,50 1268.72,51 16446.6,52 134.517,53 26.023,54 3.945,55 187.272,56 448.704,57 3.522,58 2.831,59 6.823,60 1096,61 3.807,62 4.308,63 1.844,64 1.789,65 4.037,66 1,67 1.5,68 1,69 1,70 6.6}
{0 CHEMBL1993548,2 1.575,3 3.218,5 9.25,6 3.365,7 3.272,8 3.474,9 2.733,10 7.152,11 3.168,12 3.53,13 0.074,14 0.005,15 16.407,16 3.425,17 3.053,18 185,19 3.434,20 289.79,21 5.244,22 3.3,23 379,24 5.63,25 11.917,26 14.872,27 81.896,28 14.664,29 4.217,30 167.362,31 260.06,32 6826,33 2.592,34 384.04,35 0.727,36 1,37 5.135,38 16.7,39 8.977,40 2.687,41 3.194,42 2.504,43 9.937,44 36.48,45 0.714,46 11458,47 62,48 6.648,49 5.683,50 639.365,51 6788.07,52 90.153,53 20.292,54 4.712,55 152.089,56 362.857,57 3.222,58 2.335,60 554,61 3.452,62 3.955,63 1.826,64 1.609,65 3.718,66 -0.519,67 -0.639,68 -0.489,69 -0.519,70 6.1}
{0 CHEMBL1993584,1 3.229,2 2.143,3 3.676,4 1,5 13.214,6 3.863,7 3.506,8 3.678,9 3.098,10 8.723,11 3.64,12 3.76,13 0.153,14 0.006,15 18.883,16 3.747,17 3.563,18 370,19 3.619,20 371.47,21 5.691,22 3.663,23 815,24 7.753,25 15.324,26 19.184,27 110.078,28 18.268,29 6.832,30 259.121,31 334.96,32 17788,33 2.73,34 484.858,35 0.395,37 5.466,38 29.531,39 12.077,40 3.16,41 3.558,42 2.735,43 13.776,44 42.751,45 1.323,46 30351,47 120,48 9.168,49 8.206,50 1460.24,51 20652.7,52 144.615,53 27.561,54 4.801,55 197.995,56 474.867,57 3.577,58 2.794,59 6.823,60 1294,61 3.702,62 4.432,63 1.895,64 1.781,65 4.077,66 1,67 1.5,68 0.983,69 1,70 6.5}
{0 CHEMBL1993648,1 3.073,2 0.977,3 2.736,4 1,5 6.313,6 2.782,7 1.451,8 2.843,9 2.18,10 3.546,11 1.669,12 3.272,13 0.02,14 0.01,15 4.026,16 2.377,17 1.543,18 101,19 2.304,20 212.24,21 2.051,22 2.29,23 221,24 3.935,25 8.444,26 10.088,27 60.293,28 9.254,29 1.409,30 116.096,31 173.27,32 3414,33 1.793,34 237.433,35 0.905,37 3.843,38 8.031,39 9.5,40 2.551,41 2.995,42 1.733,43 7.449,44 21.717,45 0.19,46 5968,47 32,48 5.025,49 2.369,50 333.787,51 2802.14,52 63.029,53 15.827,54 1.551,55 107.586,56 254.269,57 3.001,58 2.178,59 6.843,60 244,61 3.233,62 2.712,63 1.57,64 1.418,65 3.533,66 -0.84,67 -1.258,68 -0.816,69 -0.84,70 8.5}
{0 CHEMBL1993661,2 1.773,3 3.517,5 11.875,6 3.706,7 4.027,8 4.313,9 2.878,10 10.441,11 3.848,12 3.88,13 0.402,14 0.011,15 32.351,16 4.037,17 3.787,18 380,19 4.294,20 479.99,21 7.894,22 3.956,23 786,24 7.181,25 19.336,26 24.053,27 121.203,28 24.193,29 7.993,30 260.725,31 393.69,32 24492,33 2.97,34 569.39,35 0.587,37 5.956,38 30.563,39 11.23,40 3.144,41 3.6,42 2.881,43 16.431,44 61.128,45 1.809,46 46055,47 122,48 11.079,49 11.025,50 1838.03,51 26977.6,52 167.958,53 29.723,54 5.494,55 227.507,56 546.877,57 3.603,58 2.972,60 1682,61 3.661,62 4.72,63 1.73,64 1.698,65 4.18,66 1.145,67 1.187,68 0.936,69 1.145,70 6.4}
{0 CHEMBL1993722,1 2.758,2 1.987,3 3.549,5 12.2,6 3.79,7 3.521,8 3.802,9 2.899,10 8.046,11 3.461,12 3.798,13 0.257,14 0.01,15 14.689,16 3.58,17 3.437,18 366,19 3.628,20 405.42,21 5.292,22 3.536,23 795,24 7.581,25 15.44,26 20.38,27 108.322,28 19.732,29 5.7,30 236.084,31 334.58,32 22917,33 2.705,34 459.073,35 0.434,37 5.553,38 29.964,39 12.086,40 3.228,41 3.541,42 2.735,43 14.008,44 47.382,45 1.744,46 44513,47 112,48 8.86,49 6.334,50 1648.71,51 23859.1,52 156.504,53 28.696,54 4.095,55 194.666,56 466.744,57 3.515,58 2.981,59 6.823,60 1424,61 3.759,62 4.259,63 1.884,64 1.777,65 4.133,66 1.157,67 1.692,68 1.132,69 1.157,70 5.8}
{0 CHEMBL1993781,2 2.337,3 3.759,5 13.889,6 3.941,7 3.453,8 3.623,9 3.217,10 10.34,11 3.653,12 3.761,13 0.139,14 0.006,15 21.911,16 3.778,17 3.545,18 375,19 3.615,20 361.48,21 7.25,22 3.678,23 801,24 8.124,25 15.07,26 18.736,27 106.938,28 18.932,29 7.46,30 253.438,31 343.56,32 16699,33 2.687,34 495.191,35 0.424,37 5.513,38 32.346,39 10.475,40 3.068,41 3.514,42 2.735,43 13.293,44 47.367,45 1.276,46 27649,47 120,48 8.826,49 8.087,50 1383.16,51 19738.8,52 139.523,53 27.123,54 6.76,55 198.723,56 476.645,57 3.538,58 2.519,60 1299,61 3.702,62 4.546,63 1.896,64 1.781,65 4.029,66 1,67 1.175,68 0.927,69 1,70 5.3}
{0 CHEMBL1993877,2 0.934,3 2.606,4 1,5 5.706,6 2.692,7 1.01,8 2.893,9 1.971,10 3.958,11 2.216,12 3.335,15 9.058,16 2.923,17 1.858,18 97,19 2.37,20 226.31,21 2.437,22 2.715,23 209,24 3.848,25 9.557,26 11.828,27 68.22,28 10.465,29 2.507,30 131.58,31 202.74,32 3346,33 2.17,34 287.578,35 1.003,37 4.263,38 9.571,39 8.693,40 2.583,41 3.074,42 2.139,43 8.309,44 23.468,45 0.458,46 5007,47 33,48 5.886,49 3.634,50 366.053,51 3246.22,52 67.885,53 16.512,54 1.558,55 122.903,56 291.645,57 3.093,58 2.164,59 7.445,60 260,61 3.243,62 3.533,63 1.83,64 1.577,65 3.584,66 -0.773,67 -1.041,68 -0.723,69 -0.773,70 5.6}
{0 CHEMBL1993904,2 1.895,3 3.529,5 11.862,6 3.725,7 3.501,8 3.877,9 2.928,10 7.046,11 3.551,12 3.837,13 0.239,14 0.01,15 16.721,16 3.721,17 3.468,18 344,19 3.627,20 401.48,21 4.36,22 3.633,23 772,24 7.145,25 15.864,26 20.311,27 112.418,28 17.946,29 6.451,30 226.215,31 314.97,32 19600,33 2.776,34 427.76,35 0.414,37 5.471,38 28.535,39 13.488,40 3.155,41 3.561,42 2.759,43 14.489,44 39.861,45 1.532,46 36823,47 109,48 9.608,49 6.551,50 1512.33,51 20731.6,52 148.456,53 27.745,54 3.295,55 193.209,56 463.189,57 3.574,58 2.945,59 7.545,60 1290,61 3.797,62 4.35,63 1.82,64 1.749,65 4.119,66 1,67 1.5,68 1,69 1,70 5.6}
{0 CHEMBL1993941,2 2.498,3 3.847,5 15.143,6 4.038,7 3.972,8 4.115,9 3.4,10 10.044,11 4.087,12 3.875,13 0.364,14 0.009,15 27.412,16 4.095,17 3.968,18 530,19 3.995,20 486.62,21 6.688,22 3.995,23 1159,24 8.599,25 19.772,26 23.847,27 138.978,28 23.307,29 10.918,30 314.253,31 407.11,32 32415,33 2.987,34 560.544,35 0.371,37 5.818,38 46.766,39 13.63,40 3.377,41 3.754,42 2.869,43 17.073,44 52.523,45 1.915,46 58315,47 187,48 12.02,49 9.809,50 2402.86,51 38679.2,52 192.079,53 32.716,54 5.006,55 242.239,56 582.824,57 3.782,58 3.195,59 7.434,60 2401,61 3.803,62 4.766,63 1.939,64 1.844,65 4.294,66 1.183,67 1.73,68 1.166,69 1.183,70 6.7}
{0 CHEMBL1994040,2 1.543,3 3.318,5 10.303,6 3.536,7 4.136,8 4.335,9 2.717,10 8.349,11 4.178,12 3.79,13 0.55,14 0.012,15 33.905,16 4.282,17 4.105,18 340,19 4.258,20 450.54,21 5.497,22 4.228,23 742,24 6.528,25 18.386,26 21.424,27 120.926,28 21.727,29 11.773,30 300.965,31 378.89,32 22584,33 2.891,34 546.483,35 0.531,37 6.187,38 33.787,39 12.326,40 3.232,41 3.69,42 2.845,43 14.977,44 47.344,45 1.9,46 39511,47 139,48 10.894,49 11.877,50 1867.01,51 26959.5,52 171.463,53 30.023,54 4.814,55 221.904,56 533.206,57 3.689,58 3.284,59 7.784,60 2111,61 3.732,62 5.022,63 1.935,64 1.754,65 4.228,66 1.263,67 1.803,68 1.199,69 1.263,70 5.8}
{0 CHEMBL1994074,1 3.043,2 0.977,3 2.734,5 6.313,6 2.778,7 2.342,8 3.246,9 2.18,10 3.853,11 2.15,12 3.739,13 0.02,14 0.01,15 14.621,16 2.786,17 1.829,18 101,19 3.032,20 273.14,21 2.351,22 2.53,23 221,24 3.923,25 10.03,26 11.958,27 68.46,28 9.761,29 2.58,30 105.342,31 186.48,32 3380,33 2.032,34 262.973,35 0.915,37 3.574,38 8.016,39 9.478,40 2.687,41 3.029,42 1.784,43 8.421,44 21.701,45 0.137,46 5826,47 34,48 5.828,49 3.623,50 333.356,51 2795.9,52 62.976,53 15.824,54 1.72,55 118.301,56 280.415,57 3.075,58 2.037,59 6.843,60 242,61 3.237,62 2.85,63 1.402,64 1.285,65 3.533,66 -0.909,67 -1.342,68 -0.856,69 -0.909,70 7}
{0 CHEMBL1994159,2 1.136,3 2.925,5 7.222,6 3.012,7 2.44,8 3.033,9 2.281,10 4.171,11 2.602,12 3.362,13 0.118,14 0.015,15 7.268,16 2.941,17 2.511,18 130,19 2.797,20 237.28,21 2.507,22 2.854,23 282,24 4.539,25 9.869,26 12.535,27 68.621,28 10.818,29 2.528,30 134.127,31 201.65,32 4720,33 2.167,34 288.994,35 0.768,37 4.568,38 10.617,39 9.794,40 2.577,41 3.09,42 2.127,43 8.737,44 25.732,45 0.409,46 8061,47 40,48 5.657,49 3.192,50 460.808,51 4276.05,52 75.527,53 17.868,54 1.976,55 123.843,56 293.937,57 3.098,58 2.212,59 6.581,60 334,61 3.296,62 3.471,63 1.649,64 1.389,65 3.639,66 -0.754,67 -0.998,68 -0.753,69 -0.754,70 4.1}
{0 CHEMBL1994241,1 3.128,2 1.289,3 3.167,5 8.783,6 3.294,7 3.613,8 4.084,9 2.525,10 6.451,11 3.274,12 3.811,13 0.164,14 0.008,15 6.64,16 3.475,17 3.207,18 202,19 3.775,20 370.22,21 4.377,22 3.384,23 430,24 5.469,25 13.755,26 17.397,27 90.659,28 15.604,29 3.854,30 172.77,31 276.34,32 9796,33 2.791,34 397.083,35 0.682,37 5.325,38 16.802,39 10.575,40 3.004,41 3.305,42 2.72,43 11.695,44 36.745,45 1.465,46 18224,47 66,48 7.548,49 5.764,50 833.386,51 9408.88,52 106.742,53 22.333,54 3.094,55 162.675,56 388.688,57 3.312,58 2.496,59 6.843,60 701,61 3.467,62 3.873,63 1.661,64 1.59,65 3.867,66 0.347,67 0.521,68 0.328,69 0.347,70 7.4}
{0 CHEMBL1994308,1 3.069,2 2.133,3 3.695,4 1,5 13.667,6 3.939,7 3.702,8 3.987,9 3.073,10 9.331,11 3.461,12 3.645,13 0.237,14 0.009,15 17.564,16 3.519,17 3.467,18 410,19 3.794,20 436.85,21 6.805,22 3.522,23 868,24 8.313,25 16.142,26 19.725,27 106.827,28 21.88,29 6.001,30 239.329,31 353.38,32 26254,33 2.987,34 480.703,35 0.439,37 5.816,38 31.267,39 10.787,40 3.283,41 3.515,42 2.741,43 13.314,44 55.848,45 1.61,46 53315,47 124,48 9.162,49 6.155,50 1713.35,51 26041.7,52 159.206,53 29.223,54 5.854,55 198.26,56 475.515,57 3.494,58 3.009,59 6.823,60 1526,61 3.533,62 4.376,63 1.846,64 1.66,65 4.116,66 1.041,67 1.487,68 1.015,69 1.041,70 5.3}
{0 CHEMBL1994318,2 2.121,3 3.687,5 13.718,6 3.897,7 4.282,8 4.371,9 3.176,10 12.124,11 4.503,12 3.797,13 0.727,14 0.013,15 51.504,16 4.541,17 4.398,18 535,19 4.358,20 526.75,21 8.86,22 4.435,23 1129,24 8.103,25 23.362,26 28.156,27 155.206,28 28.5,29 15.504,30 404.994,31 503.72,32 33622,33 3.246,34 733.487,35 0.489,37 6.363,38 46.377,39 12.698,40 3.371,41 3.894,42 3.093,43 18.579,44 70.058,45 1.804,46 51746,47 211,48 13.36,49 16.849,50 2887.33,51 48825.3,52 217.441,53 34.986,54 6.743,55 292.189,56 704.701,57 3.933,58 3.288,59 6.862,60 3326,61 3.743,62 5.382,63 1.992,64 1.784,65 4.38,66 1.383,67 1.886,68 1.373,69 1.383,70 5.3}
{0 CHEMBL1994321,2 2.715,3 3.851,5 15.343,6 4.102,7 4.167,8 4.099,9 3.375,10 10.552,11 4.079,12 3.884,13 0.433,14 0.011,15 26.879,16 4.085,17 3.964,18 537,19 4.136,20 505.67,21 7.489,22 3.98,23 1139,24 8.994,25 20.679,26 25.605,27 141.263,28 24.839,29 10.793,30 309.498,31 432.09,32 34560,33 2.988,34 593.399,35 0.4,37 5.947,38 51.669,39 13.29,40 3.383,41 3.754,42 2.986,43 18.073,44 59.842,45 2.136,46 63510,47 177,48 13.308,49 9.845,50 2440.45,51 40386.9,52 193.554,53 32.966,54 6.445,55 251.171,56 604.618,57 3.806,58 3.208,59 6.88,60 2542,61 3.86,62 4.724,63 1.883,64 1.844,65 4.279,66 1.183,67 1.73,68 1.179,69 1.183,70 6.3}
{0 CHEMBL1994438,1 3.159,2 1.458,3 3.206,4 1,5 9.292,6 3.339,7 3.438,8 3.884,9 2.654,10 6.575,11 3.609,12 3.739,13 0.183,14 0.009,15 23.489,16 3.698,17 3.456,18 223,19 3.784,20 342.87,21 4.293,22 3.588,23 494,24 5.592,25 13.923,26 17.018,27 96.407,28 15.67,29 6.647,30 213.329,31 283.25,32 9780,33 2.753,34 405.628,35 0.583,36 1,37 5.245,38 18.042,39 10.598,40 3.02,41 3.407,42 2.617,43 11.992,44 33.777,45 1.408,46 16187,47 72,48 8.575,49 6.173,50 921.461,51 10635.6,52 112.929,53 23.182,54 3.221,55 172.874,56 413.571,57 3.427,58 2.513,59 6.843,60 756,61 3.606,62 4.301,63 1.791,64 1.72,65 3.929,66 0.489,67 0.721,68 0.458,69 0.489,70 7.1}
{0 CHEMBL1994526,2 1.444,3 3.115,5 8.556,6 3.234,7 2.54,8 3.019,9 2.558,10 6.077,11 3.017,12 3.431,13 0.131,14 0.016,15 13.76,16 3.249,17 2.841,18 154,19 2.933,20 247.38,21 4.454,22 3.09,23 318,24 5.137,25 10.803,26 12.958,27 70.661,28 13.191,29 3.568,30 171.376,31 246.37,32 4391,33 2.435,34 368.19,35 0.773,37 4.966,38 13.136,39 7.029,40 2.687,41 3.172,42 2.343,43 8.665,44 31.165,45 0.469,46 6351,47 46,48 6.63,49 4.878,50 494.853,51 4741.94,52 77.404,53 18.357,54 3.621,55 142.946,56 340.548,57 3.225,58 2,60 364,61 3.374,62 4.072,63 1.786,64 1.525,65 3.614,66 -1,67 -1,68 -0.946,69 -1,70 5.3}
{0 CHEMBL1994538,2 1.451,3 3.223,5 9.583,6 3.394,7 3.458,8 3.587,9 2.685,10 6.324,11 3.059,12 3.547,13 0.132,14 0.006,15 7.429,16 3.116,17 3.106,18 230,19 3.334,20 333.3,21 4.217,22 3.165,23 488,24 5.779,25 12.003,26 14.656,27 78.386,28 16.004,29 2.905,30 166.219,31 256.52,32 12380,33 2.534,34 349.69,35 0.655,37 5.849,38 18.75,39 10.338,40 2.8,41 3.248,42 2.426,43 10.237,44 39.253,45 1.155,46 25583,47 86,48 6.739,49 3.845,50 936.821,51 10905.6,52 113.527,53 23.297,54 3.567,55 147.691,56 352.126,57 3.186,58 2.586,60 804,61 3.41,62 3.887,63 1.639,64 1.498,65 3.907,66 0.074,67 0.09,68 0.069,69 0.074,70 5.4}
{0 CHEMBL1994555,1 3.322,2 1.26,3 2.992,4 1,5 7.95,6 3.134,7 2.725,8 3.161,9 2.484,10 4.991,11 2.937,12 3.393,13 0.22,14 0.02,15 10.57,16 3.244,17 2.823,18 159,19 2.948,20 265.34,21 3.171,22 3.101,23 340,24 4.876,25 11.474,26 14.113,27 77.47,28 12.708,29 3.822,30 154.015,31 236.25,32 5888,33 2.543,34 337.788,35 0.763,37 4.815,38 14.28,39 10.041,40 2.687,41 3.225,42 2.433,43 9.703,44 29.92,45 0.977,46 9627,47 58,48 6.633,49 5.002,50 595.456,51 5930.86,52 87.414,53 19.619,54 2.184,55 143.028,56 340.748,57 3.249,58 2.338,59 7.05,60 476,61 3.337,62 3.815,63 1.784,64 1.594,65 3.737,66 -0.392,67 -0.502,68 -0.388,69 -0.392,70 5.5}
{0 CHEMBL1994669,2 1.58,3 3.252,5 9.542,6 3.412,7 3.726,8 4.121,9 2.705,10 7.091,11 3.371,12 3.864,13 0.224,14 0.012,15 34.113,16 3.576,17 3.253,18 229,19 4.199,20 388.26,21 4.899,22 3.501,23 485,24 5.879,25 14.28,26 18.104,27 94.742,28 16.58,29 5.424,30 190.666,31 279.59,32 11348,33 2.58,34 403.869,35 0.632,37 5.344,38 19.667,39 10.098,40 3.003,41 3.3,42 2.516,43 12.102,44 39.197,45 1.297,46 21081,47 86,48 7.761,49 5.471,50 941.627,51 11148.6,52 114.045,53 23.383,54 3.992,55 169.599,56 405.581,57 3.29,58 2.621,59 6.529,60 840,61 3.629,62 4.11,63 1.712,64 1.524,65 3.906,66 0.334,67 0.41,68 0.237,69 0.334,70 7.4}
{0 CHEMBL1994693,2 1.883,3 3.475,5 11.643,6 3.649,7 3.427,8 3.756,9 2.942,10 6.969,11 3.564,12 3.806,13 0.221,14 0.01,15 17.593,16 3.677,17 3.444,18 326,19 3.532,20 387.5,21 4.304,22 3.576,23 737,24 6.747,25 15.715,26 19.441,27 112.681,28 17.292,29 6.893,30 223.624,31 319.72,32 16535,33 2.76,34 427.357,35 0.445,37 5.294,38 27.526,39 12.527,40 3.111,41 3.559,42 2.735,43 14.095,44 37.868,45 1.519,46 29648,47 118,48 9.787,49 6.929,50 1379.3,51 18027,52 140.685,53 26.806,54 3.185,55 192.14,56 460.581,57 3.591,58 2.888,59 7.081,60 1130,61 3.767,62 4.293,63 1.787,64 1.759,65 4.091,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL1994724,2 1.726,3 3.426,5 10.792,6 3.556,7 3.386,8 3.59,9 2.907,10 7.583,11 3.457,12 3.72,13 0.199,14 0.01,15 18.215,16 3.573,17 3.331,18 259,19 3.485,20 338.46,21 5.263,22 3.446,23 553,24 6.33,25 14.339,26 17.295,27 96.72,28 16.656,29 6.619,30 206.968,31 301.81,32 10957,33 2.682,34 434.977,35 0.566,37 5.269,38 21.194,39 9.758,40 2.963,41 3.409,42 2.652,43 12.077,44 39.429,45 1.017,46 18651,47 84,48 8.438,49 7.219,50 981.571,51 11786.8,52 115.453,53 23.722,54 4.026,55 177.21,56 424.153,57 3.462,58 2.434,59 6.605,60 820,61 3.629,62 4.213,63 1.74,64 1.578,65 3.908,66 0.645,67 0.952,68 0.547,69 0.645,70 5.3}
{0 CHEMBL1994830,2 1.573,3 3.273,5 9.826,6 3.39,7 3.413,8 3.698,9 2.736,10 5.886,11 3.14,12 3.752,13 0.164,14 0.01,15 10.408,16 3.441,17 3.047,18 226,19 3.593,20 344.8,21 3.729,22 3.347,23 500,24 5.672,25 13.136,26 16.665,27 89.821,28 14.571,29 3.932,30 150,31 246.56,32 10889,33 2.626,34 350.092,35 0.569,37 5.051,38 18.957,39 11.24,40 2.898,41 3.293,42 2.436,43 11.884,44 31.865,45 1,46 21932,47 83,48 7.787,49 5.058,50 857.749,51 9608.25,52 107.197,53 22.499,54 2.929,55 153.369,56 365.98,57 3.296,58 2.73,59 7.413,60 713,61 3.458,62 3.77,63 1.479,64 1.515,65 3.888,66 0.663,67 0.945,68 0.57,69 0.663,70 6.6}
{0 CHEMBL1994864,2 1.455,3 3.311,5 10,6 3.431,7 3.122,8 3.502,9 2.754,10 6.021,11 3.262,12 3.711,13 0.205,14 0.012,15 13.268,16 3.382,17 3.185,18 220,19 3.388,20 293.35,21 3.923,22 3.348,23 471,24 5.872,25 12.062,26 15.527,27 85.404,28 14.332,29 4.795,30 161.995,31 270.6,32 8700,33 2.687,34 389.272,35 0.597,37 5.269,38 17.636,39 10.239,40 2.736,41 3.288,42 2.589,43 10.648,44 34.508,45 1,46 14747,47 80,48 6.87,49 5.116,50 792.522,51 8951.65,52 102.359,53 21.969,54 3.038,55 153.689,56 366.761,57 3.294,58 2.507,60 704,61 3.641,62 4.082,63 1.781,64 1.707,65 3.824,66 0.117,67 0.147,68 0.107,69 0.117,70 5}
{0 CHEMBL1994938,2 2.2,3 3.71,5 13.8,6 3.917,7 4.038,8 4.141,9 3.236,10 9.647,11 3.77,12 3.866,13 0.246,14 0.009,15 24.653,16 3.908,17 3.645,18 414,19 4.268,20 482.44,21 6.726,22 3.777,23 901,24 7.956,25 18.488,26 22.278,27 127.56,28 20.916,29 8.181,30 266.193,31 368.66,32 22457,33 3.014,34 518.84,35 0.416,37 5.673,38 36.778,39 12.026,40 3.449,41 3.612,42 2.796,43 15.646,44 47.374,45 1.31,46 41105,47 148,48 11.121,49 9.404,50 1703.81,51 24878.8,52 157.569,53 29.069,54 5.059,55 221.039,56 531.096,57 3.661,58 3.043,59 7.31,60 1670,61 3.725,62 4.468,63 1.886,64 1.716,65 4.136,66 1,67 1.469,68 0.993,69 1,70 7.6}
{0 CHEMBL1994977,2 2.224,3 3.724,5 14.324,6 3.928,7 4.191,8 4.237,9 3.209,10 11.696,11 4.383,12 3.778,13 0.653,14 0.013,15 42.916,16 4.362,17 4.292,18 530,19 4.278,20 499.67,21 8.394,22 4.292,23 1126,24 8.155,25 21.415,26 26.416,27 144.129,28 26.554,29 13.709,30 369.011,31 466.91,32 31769,33 3.211,34 682.082,35 0.471,37 6.271,38 46.083,39 12.579,40 3.378,41 3.828,42 3.082,43 17.757,44 64.617,45 1.807,46 51558,47 240,48 12.419,49 13.301,50 2616.16,51 43104.2,52 204.16,53 33.797,54 6.633,55 270.206,56 651.063,57 3.857,58 3.076,59 6.862,60 3000,61 3.738,62 5.216,63 1.992,64 1.784,65 4.333,66 1.322,67 1.76,68 1.276,69 1.322,70 5.5}
{0 CHEMBL1995172,1 2.895,2 0.722,3 2.416,5 4.923,6 2.394,7 0.007,8 2.909,9 1.826,10 2.532,11 0.135,12 3.522,15 0.8,16 1.172,17 0.067,18 64,19 0.84,20 235.09,21 1.457,22 0.824,23 143,24 3.132,25 8.428,26 9.836,27 55.812,28 7.479,29 0.161,30 84.439,31 150.76,32 1937,33 1.707,34 205.286,35 1.175,37 0.693,38 4.899,39 8.279,40 2.227,41 2.843,42 1.578,43 6.921,44 16.395,45 -0.797,46 3357,47 21,48 4.952,49 1.237,50 186.717,51 1337.68,52 45.532,53 12.65,54 1.009,55 95.379,56 224.485,57 2.885,58 1.777,59 7.526,60 113,61 2.975,62 0.635,63 1.391,64 1.232,65 3.339,66 -1.422,67 -1.92,68 -1.381,69 -1.422,70 5.5}
{0 CHEMBL1995211,1 3.222,2 1.08,3 2.858,4 1,5 7.15,6 2.971,7 2.49,8 3.487,9 2.261,10 4.821,11 3.213,12 3.572,13 0.091,14 0.011,15 14.448,16 3.532,17 2.963,18 143,19 2.995,20 266.38,21 3.129,22 3.348,23 303,24 4.521,25 11.936,26 14.165,27 83.241,28 12.98,29 5.766,30 155.382,31 241.1,32 5091,33 2.499,34 361.215,35 0.856,37 4.816,38 12.35,39 9.927,40 2.687,41 3.246,42 2.618,43 9.545,44 29.674,45 0.795,46 7436,47 53,48 6.702,49 5.938,50 564.514,51 5640.41,52 86.356,53 19.366,54 2.65,55 148.753,56 354.718,57 3.28,58 2.284,59 6.862,60 490,61 3.56,62 4.125,63 1.787,64 1.653,65 3.735,66 -0.593,67 -0.815,68 -0.573,69 -0.593,70 5.5}
{0 CHEMBL1995428,2 2.302,3 3.768,5 14.368,6 3.957,7 4.254,8 4.433,9 3.229,10 10.839,11 4.283,12 3.893,13 0.527,14 0.01,15 30.502,16 4.345,17 4.187,18 546,19 4.367,20 537.08,21 6.972,22 4.253,23 1215,24 8.259,25 21.578,26 26.752,27 150.542,28 24.441,29 11.576,30 321.566,31 436.97,32 38166,33 3.266,34 598.092,35 0.37,37 5.943,38 49.307,39 15.142,40 3.415,41 3.838,42 2.89,43 19.379,44 52.974,45 1.789,46 70058,47 214,48 13.144,49 11.318,50 2782.03,51 46152.5,52 210.992,53 34.523,54 5.392,55 261.975,56 630.98,57 3.867,58 3.279,59 7.535,60 3114,61 3.841,62 4.899,63 1.977,64 1.884,65 4.386,66 1.414,67 2.027,68 1.319,69 1.414,70 5.3}
{0 CHEMBL1995635,2 2.5,3 3.796,5 14.5,6 3.993,7 3.751,8 3.802,9 3.257,10 8.762,11 3.643,12 3.784,13 0.295,14 0.01,15 16.285,16 3.704,17 3.609,18 435,19 3.685,20 427.92,21 6.091,22 3.628,23 935,24 8.331,25 17.465,26 21.75,27 111.433,28 20.853,29 6.131,30 256.158,31 366.63,32 23011,33 2.839,34 531.27,35 0.395,37 5.602,38 39.658,39 11.149,40 3.256,41 3.597,42 2.735,43 14.674,44 47.505,45 1.716,46 41568,47 148,48 10.114,49 7.591,50 1736.9,51 25751.8,52 158.651,53 29.163,54 4.858,55 210.583,56 505.581,57 3.603,58 3.001,59 6.605,60 1618,61 3.683,62 4.376,63 1.943,64 1.788,65 4.129,66 1,67 1.499,68 1,69 1,70 5.3}
{0 CHEMBL1995712,1 3.166,2 1.893,3 3.589,4 1,5 12.4,6 3.763,7 3.885,8 4.15,9 3.057,10 9.294,11 4.022,12 3.775,13 0.263,14 0.008,15 36.942,16 4.09,17 3.867,18 372,19 4.005,20 427.99,21 6.518,22 3.961,23 804,24 7.261,25 17.908,26 21.587,27 119.694,28 21.041,29 10.829,30 289.702,31 369.6,32 19306,33 2.972,34 536.783,35 0.469,36 1,37 5.767,38 30.502,39 11.11,40 3.25,41 3.606,42 2.838,43 14.763,44 47.126,45 1.547,46 32396,47 134,48 10.532,49 10.203,50 1637.09,51 23123.7,52 155.397,53 28.517,54 5.298,55 219.106,56 526.379,57 3.625,58 2.961,59 6.843,60 1538,61 3.609,62 4.876,63 1.853,64 1.722,65 4.136,66 1.179,67 1.535,68 1.171,69 1.179,70 6.5}
{0 CHEMBL1995736,1 3.293,2 1.808,3 3.467,5 11.423,6 3.608,7 3.35,8 3.574,9 2.95,10 7.099,11 3.515,12 3.632,13 0.229,14 0.011,15 19.358,16 3.699,17 3.423,18 297,19 3.494,20 350.46,21 4.661,22 3.59,23 647,24 6.508,25 14.736,26 18.096,27 100.802,28 17.07,29 5.868,30 242.568,31 312.88,32 12500,33 2.687,34 438.821,35 0.507,37 5.391,38 25.331,39 10.951,40 3.028,41 3.491,42 2.735,43 12.652,44 38.195,45 1.438,46 20143,47 102,48 8.923,49 7.099,50 1172.67,51 14609.4,52 127.749,53 25.201,54 3.358,55 184.794,56 442.658,57 3.506,58 2.558,59 7.413,60 992,61 3.609,62 4.418,63 1.848,64 1.598,65 4.001,66 0.934,67 1.065,68 0.877,69 0.934,70 5.2}
{0 CHEMBL1995740,2 1.786,3 3.397,5 10.714,6 3.551,7 3.567,8 3.802,9 2.91,10 7.054,11 3.509,12 3.753,13 0.281,14 0.01,15 15.23,16 3.665,17 3.488,18 300,19 3.768,20 377.38,21 4.568,22 3.656,23 646,24 6.309,25 14.724,26 19.836,27 102.359,28 18.132,29 5.869,30 219.82,31 320.33,32 16953,33 2.796,34 439.221,35 0.56,37 5.607,38 26.143,39 11.665,40 3.053,41 3.481,42 2.745,43 13.457,44 42.414,45 1.689,46 32824,47 100,48 8.343,49 6.725,50 1342.12,51 17106.3,52 139.134,53 26.396,54 3.376,55 181.206,56 433.904,57 3.457,58 3.046,59 5.38,60 1148,61 3.683,62 4.329,63 1.853,64 1.761,65 4.071,66 1.066,67 1.568,68 1.073,69 1.066,70 5.5}
{0 CHEMBL1995765,2 0.805,3 2.553,5 5.538,6 2.555,7 0.125,8 2.114,9 1.884,10 3.067,11 0.475,12 2.868,15 1.522,16 1.601,17 0.334,18 72,19 1.139,20 176.2,21 1.904,22 1.409,23 150,24 3.436,25 6.767,26 9.259,27 48.073,28 8.071,29 0.306,30 90.239,31 150.93,32 2035,33 1.171,34 210.886,35 1.187,37 2.398,38 5.633,39 7.003,40 2.126,41 2.691,42 1.116,43 6.271,44 19.099,45 -0.761,46 3454,47 22,48 3.761,49 1.253,50 199.313,51 1456.93,52 46.635,53 12.969,54 1.482,55 89.259,56 209.551,57 2.654,58 1.825,59 6.783,60 140,61 2.731,62 1.591,63 1.311,64 1.169,65 3.304,66 -1.62,67 -1.821,68 -1.542,69 -1.62,70 4.2}
{0 CHEMBL1995811,1 2.726,2 2.229,3 3.676,5 13.156,6 3.859,7 3.822,8 3.961,9 3.102,10 8.332,11 3.769,12 3.888,13 0.268,14 0.007,15 14.962,16 3.812,17 3.748,18 421,19 3.961,20 430.45,21 5.219,22 3.81,23 930,24 7.711,25 16.588,26 20.338,27 116.589,28 20.044,29 6.585,30 253.323,31 342.77,32 26279,33 2.9,34 463.874,35 0.399,37 5.789,38 36.867,39 13.326,40 3.17,41 3.614,42 2.735,43 14.759,44 45.834,45 1.563,46 50221,47 154,48 9.756,49 6.514,50 1913.89,51 28429.2,52 169.602,53 30.206,54 4.167,55 203.53,56 488.372,57 3.596,58 3.114,59 7.402,60 1844,61 3.838,62 4.451,63 1.953,64 1.879,65 4.21,66 1.173,67 1.682,68 1.144,69 1.173,70 5.7}
{0 CHEMBL1995813,1 3.183,2 1.463,3 3.225,4 1,5 9.348,6 3.347,7 3.165,8 3.507,9 2.666,10 6.168,11 3.494,12 3.666,13 0.142,14 0.008,15 15.77,16 3.558,17 3.35,18 215,19 3.313,20 308.43,21 3.878,22 3.444,23 479,24 5.598,25 12.866,26 15.648,27 90.541,28 14.462,29 5.817,30 211.329,31 268.04,32 8428,33 2.649,34 384.227,35 0.564,37 5.062,38 16.915,39 10.547,40 2.984,41 3.379,42 2.587,43 11.31,44 31.869,45 1.196,46 13170,47 67,48 8.087,49 5.46,50 846.859,51 9530.38,52 107.09,53 22.465,54 2.888,55 164.541,56 393.239,57 3.398,58 2.503,59 6.843,60 668,61 3.585,62 4.262,63 1.827,64 1.725,65 3.892,66 0.486,67 0.717,68 0.455,69 0.486,70 7.5}
{0 CHEMBL1995832,2 1.551,3 3.345,5 10.844,6 3.542,7 4.04,8 4.295,9 2.844,10 8.773,11 4.012,12 3.775,13 0.532,14 0.013,15 29.649,16 4.13,17 3.958,18 347,19 4.239,20 440.5,21 6.05,22 4.116,23 736,24 6.478,25 17.803,26 21.14,27 115.705,28 22.065,29 9.816,30 284.499,31 365.44,32 21790,33 2.866,34 539.278,35 0.599,37 6.158,38 32.008,39 12.292,40 3.066,41 3.61,42 2.733,43 14.52,44 51.421,45 1.493,46 39484,47 148,48 9.874,49 9.885,50 1756.96,51 24762.4,52 164.918,53 29.254,54 4.434,55 214.109,56 514.186,57 3.588,58 3.077,59 7.081,60 1924,61 3.675,62 4.912,63 1.908,64 1.784,65 4.194,66 1.1,67 1.626,68 1.046,69 1.1,70 6.1}
{0 CHEMBL1995927,2 1.23,3 2.953,5 7.632,6 3.034,7 2.869,8 3.366,9 2.458,10 6.26,11 3.199,12 3.327,13 0.115,14 0.014,15 21.163,16 3.431,17 2.96,18 145,19 3.157,20 280.79,21 4.664,22 3.234,23 293,24 4.605,25 12.005,26 14.328,27 79.229,28 14.156,29 5.916,30 145.853,31 241.74,32 5011,33 2.415,34 365.693,35 0.992,37 4.986,38 14.227,39 8.731,40 2.885,41 3.133,42 2.333,43 9.478,44 33.428,45 0.562,46 7819,47 48,48 6.6,49 6.41,50 518.837,51 5018.64,52 81.137,53 18.626,54 3.014,55 145.553,56 346.91,57 3.15,58 2.014,60 347,61 3.297,62 4.202,63 1.826,64 1.506,65 3.668,66 -0.47,67 -0.536,68 -0.377,69 -0.47,70 5}
{0 CHEMBL1996048,1 3.326,2 1.27,3 3.139,4 1,5 9.043,6 3.266,7 3.245,8 3.571,9 2.616,10 6.443,11 3.564,12 3.444,13 0.236,14 0.013,15 20.981,16 3.691,17 3.422,18 208,19 3.499,20 308.42,21 4.368,22 3.592,23 437,24 5.337,25 13.019,26 16.397,27 93.924,28 15.591,29 6.871,30 209.82,31 281.85,32 8133,33 2.687,34 394.393,35 0.747,37 5.536,38 19.917,39 10.281,40 2.899,41 3.372,42 2.579,43 11.097,44 36.586,45 1,46 12782,47 81,48 7.564,49 6.499,50 826.402,51 9214.61,52 106.066,53 22.217,54 3.089,55 169.007,56 404.136,57 3.4,58 2.408,59 6.88,60 695,61 3.374,62 4.492,63 1.798,64 1.547,65 3.868,66 0.253,67 0.299,68 0.238,69 0.253,70 7.4}
{0 CHEMBL1996111,1 2.925,2 1.485,3 3.193,5 9.154,6 3.343,7 3.578,8 3.876,9 2.701,10 6.734,11 3.835,12 3.763,13 0.27,14 0.01,15 21.357,16 3.875,17 3.71,18 238,19 3.795,20 346.43,21 4.272,22 3.805,23 523,24 5.673,25 14.548,26 18.096,27 102.149,28 16.492,29 8.358,30 209.95,31 292.61,32 11930,33 2.722,34 421.746,35 0.617,37 5.668,38 21.864,39 11.226,40 2.914,41 3.44,42 2.735,43 12.631,44 37.742,45 1.332,46 20292,47 93,48 8.258,49 7.911,50 1086.35,51 13235.1,52 125.034,53 24.707,54 3.149,55 178.939,56 428.372,57 3.445,58 2.519,59 7.413,60 1072,61 3.638,62 4.6,63 1.805,64 1.616,65 4.001,66 1,67 1.5,68 0.986,69 1,70 5}
{0 CHEMBL1996176,1 3.059,2 0.977,3 2.712,4 1,5 6.313,6 2.794,7 1.406,8 2.855,9 2.18,10 3.56,11 2.15,12 3.367,13 0.01,14 0.005,15 5.399,16 2.664,17 1.895,18 101,19 2.206,20 210.25,21 2.065,22 2.504,23 222,24 3.99,25 8.527,26 10.958,27 62.587,28 9.278,29 2.122,30 120.211,31 186.89,32 3276,33 1.999,34 246.08,35 0.885,37 3.726,38 8.75,39 8.883,40 2.521,41 3.008,42 1.971,43 7.843,44 21.722,45 0.527,46 5414,47 32,48 5.103,49 2.706,50 335.272,51 2841.89,52 63.239,53 15.911,54 1.559,55 110.384,56 261.096,57 3.019,58 2.216,59 7.402,60 256,61 3.3,62 3.07,63 1.652,64 1.462,65 3.53,66 -0.951,67 -1.203,68 -0.941,69 -0.951,70 6.6}
{0 CHEMBL1996208,2 1.486,3 3.335,5 10.174,6 3.474,7 3.265,8 3.547,9 2.736,10 8.059,11 3.471,12 3.562,13 0.184,14 0.01,15 20.586,16 3.469,17 3.339,18 234,19 3.439,20 316.41,21 5.582,22 3.413,23 502,24 6.077,25 12.812,26 15.908,27 89.676,28 15.929,29 5.665,30 207.329,31 276.92,32 9665,33 2.633,34 405.526,35 0.579,37 5.314,38 20.087,39 8.856,40 2.866,41 3.299,42 2.579,43 11.348,44 36.857,45 1.256,46 16301,47 83,48 7.561,49 4.101,50 879.023,51 10319.3,52 108.865,53 22.895,54 4.513,55 163.669,56 391.113,57 3.283,58 2.519,60 782,61 3.437,62 4.442,63 1.746,64 1.585,65 3.877,66 0.433,67 0.483,68 0.418,69 0.433,70 5.2}
{0 CHEMBL1996234,2 1.682,3 3.499,5 11.594,6 3.646,7 3.917,8 4.101,9 2.93,10 7.044,11 4.086,12 3.789,13 0.382,14 0.01,15 28.815,16 4.213,17 3.982,18 371,19 4.006,20 421.54,21 4.242,22 4.109,23 842,24 6.775,25 17.733,26 21.872,27 123.98,28 19.271,29 10.876,30 285.71,31 361.81,32 20503,33 2.871,34 512.799,35 0.436,37 5.888,38 31.605,39 13.889,40 3.17,41 3.717,42 2.835,43 15.483,44 41.266,45 1.601,46 34190,47 138,48 10.799,49 11.282,50 1808.32,51 25468.5,52 165.985,53 29.523,54 3.247,55 218.65,56 525.266,57 3.737,58 3.3,59 7.081,60 1718,61 3.805,62 4.861,63 1.993,64 1.88,65 4.221,66 1.177,67 1.742,68 1.164,69 1.177,70 5}
{0 CHEMBL1996345,2 1.202,3 2.985,5 7.762,6 3.079,7 2.68,8 3.486,9 2.439,10 4.819,11 3.189,12 3.493,13 0.097,14 0.01,15 13.192,16 3.41,17 3.005,18 163,19 3.289,20 295.4,21 2.935,22 3.302,23 363,24 4.741,25 12.151,26 14.751,27 83.064,28 12.791,29 4.903,30 158.974,31 238.31,32 6685,33 2.433,34 329.344,35 0.707,37 4.957,38 13.692,39 10.521,40 2.891,41 3.277,42 2.338,43 10.667,44 27.871,45 1.319,46 11312,47 62,48 7.747,49 4.455,50 646.557,51 6577.19,52 92.525,53 20.279,54 2.022,55 146.765,56 349.867,57 3.317,58 2.499,59 7.636,60 536,61 3.4,62 4.05,63 1.552,64 1.508,65 3.804,66 0.347,67 0.417,68 0.303,69 0.347,70 7}
{0 CHEMBL1996447,1 2.958,2 1.197,3 3.044,5 8.381,6 3.161,7 3.029,8 3.475,9 2.475,10 6.144,11 3.407,12 3.496,13 0.121,14 0.009,15 17.833,16 3.569,17 3.238,18 176,19 3.349,20 282.38,21 4.066,22 3.453,23 375,24 5.01,25 11.965,26 14.656,27 84.403,28 13.897,29 5.558,30 185.376,31 249.89,32 6432,33 2.603,34 363.721,35 0.758,37 5.239,38 16.209,39 9.844,40 2.784,41 3.271,42 2.471,43 10.292,44 31.961,45 1,46 9987,47 75,48 7.101,49 5.862,50 663.794,51 6959.64,52 93.606,53 20.554,54 2.856,55 152.749,56 364.468,57 3.29,58 2.532,59 6.823,60 554,61 3.514,62 4.338,63 1.823,64 1.662,65 3.787,66 -0.15,67 -0.17,68 -0.143,69 -0.15,70 6.6}
{0 CHEMBL1996500,2 1.413,3 3.246,5 10.067,6 3.458,7 3.869,8 4.203,9 2.689,10 7.62,11 3.909,12 3.769,13 0.487,14 0.015,15 29.447,16 4.082,17 3.827,18 302,19 4.119,20 410.47,21 5.126,22 4.047,23 643,24 6.142,25 16.688,26 19.725,27 108.951,28 20.18,29 9.631,30 257.928,31 339.35,32 18168,33 2.864,34 500.62,35 0.618,37 6.072,38 27.951,39 12.187,40 3.007,41 3.555,42 2.733,43 13.422,44 46.629,45 1.491,46 32814,47 118,48 9.316,49 9.457,50 1504.18,51 20170.6,52 151.054,53 27.677,54 4.129,55 200.52,56 481.03,57 3.54,58 3.073,59 7.081,60 1598,61 3.637,62 4.852,63 1.935,64 1.75,65 4.131,66 1.1,67 1.626,68 1.045,69 1.1,70 5.6}
{0 CHEMBL1996510,1 3.199,2 1.287,3 3.27,4 1,5 9.969,6 3.385,7 4.051,8 4.348,9 2.662,10 7.555,11 4.188,12 3.738,13 0.375,14 0.009,15 31.147,16 4.277,17 4.108,18 319,19 4.25,20 424.5,21 4.527,22 4.235,23 724,24 5.929,25 17.183,26 21.656,27 120.843,28 19.175,29 11.439,30 262.423,31 357.9,32 19370,33 2.869,34 466.237,35 0.527,37 6.094,38 26.313,39 13.288,40 3.265,41 3.673,42 2.851,43 15.704,44 40.92,45 1.547,46 33761,47 122,48 10.598,49 10.821,50 1678.86,51 22938.3,52 162.542,53 28.902,54 3.133,55 210.256,56 504.784,57 3.669,58 2.964,59 7.627,60 1688,61 3.63,62 4.996,63 1.949,64 1.733,65 4.226,66 1.32,67 1.883,68 1.31,69 1.32,70 6.7}
{0 CHEMBL1996576,1 3.624,2 2.188,3 3.66,4 1,5 13.375,6 3.894,7 3.661,8 3.909,9 3.129,10 8.13,11 3.792,12 3.735,13 0.454,14 0.016,15 30.79,16 4,17 3.697,18 428,19 3.762,20 443.51,21 5.426,22 3.864,23 951,24 7.92,25 17.466,26 19.847,27 115.487,28 21.357,29 9.853,30 284.457,31 376.93,32 26543,33 2.866,34 503.786,35 0.387,37 5.828,38 35.59,39 11.565,40 3.195,41 3.678,42 2.907,43 14.183,44 46.113,45 1.732,46 49855,47 146,48 10.805,49 11.174,50 1931.67,51 28742.3,52 170.03,53 30.247,54 4.273,55 212.57,56 510.432,57 3.677,58 3.045,59 7.081,60 1710,61 3.696,62 4.796,63 2.006,64 1.881,65 4.209,66 1.223,67 1.5,68 1.211,69 1.223,70 5.3}
{0 CHEMBL1996587,2 1.333,3 3.272,5 10,6 3.404,7 3.948,8 4.141,9 2.689,10 6.85,11 3.946,12 3.796,13 0.56,14 0.014,15 28.53,16 4.088,17 3.894,18 300,19 4.074,20 410.47,21 4.37,22 4.03,23 660,24 5.927,25 16.602,26 19.303,27 108.614,28 19.139,29 9.169,30 256.683,31 329.63,32 17753,33 2.755,34 474.368,35 0.564,37 5.938,38 24.729,39 12.484,40 3.049,41 3.582,42 2.645,43 13.582,44 41.276,45 1.631,46 32382,47 114,48 9.779,49 10.616,50 1480.87,51 19490.8,52 150.141,53 27.466,54 3.019,55 196.054,56 470.133,57 3.57,58 3.122,59 7.947,60 1438,61 3.721,62 4.823,63 1.87,64 1.708,65 4.144,66 1.132,67 1.613,68 1.082,69 1.132,70 7.1}
{0 CHEMBL1996604,2 1.771,3 3.403,5 10.75,6 3.552,7 3.349,8 3.682,9 2.907,10 7.557,11 3.302,12 3.767,13 0.198,14 0.01,15 14.23,16 3.438,17 3.223,18 258,19 3.538,20 340.43,21 5.233,22 3.365,23 547,24 6.305,25 14.093,26 17.295,27 95.879,28 16.618,29 5.164,30 182.612,31 304.2,32 11283,33 2.687,34 421.157,35 0.576,37 5.27,38 22.125,39 10.191,40 3.01,41 3.372,42 2.697,43 12.098,44 39.392,45 1.117,46 19764,47 85,48 8.077,49 6.503,50 980.303,51 11749.8,52 115.337,53 23.686,54 4.009,55 171.614,56 410.498,57 3.402,58 2.521,59 6.783,60 834,61 3.596,62 3.995,63 1.599,64 1.455,65 3.91,66 0.363,67 0.395,68 0.306,69 0.363,70 5.4}
{0 CHEMBL1996646,2 1.6,3 3.349,5 10.333,6 3.527,7 4.14,8 4.021,9 2.749,10 9.819,11 4.229,12 3.747,13 0.398,14 0.009,15 34.076,16 4.173,17 4.124,18 310,19 4.09,20 426.99,21 6.928,22 4.083,23 666,24 6.515,25 18.129,26 21.424,27 122.805,28 21.165,29 12.005,30 277.455,31 379.99,32 17249,33 2.973,34 544.538,35 0.544,37 5.898,38 28.4,39 11.177,40 3.144,41 3.638,42 2.941,43 14.962,44 46.699,45 1.461,46 27971,47 122,48 10.73,49 10.882,50 1534.12,51 21391.9,52 152.93,53 28.063,54 4.992,55 221.904,56 533.206,57 3.665,58 2.972,60 1616,61 3.741,62 4.954,63 1.984,64 1.862,65 4.141,66 1,67 1.073,68 1,69 1,70 5.9}
{0 CHEMBL1996649,2 3.061,3 3.978,5 16.658,6 4.211,7 4.123,8 4.193,9 3.485,10 13.029,11 4.181,12 3.806,13 0.401,14 0.009,15 34.835,16 4.207,17 4.086,18 633,19 4.105,20 534.72,21 9.533,22 4.108,23 1334,24 9.651,25 22.2,26 26.554,27 151.843,28 27.804,29 12.172,30 371.224,31 476.4,32 40593,33 3.144,34 669.348,35 0.388,37 6.089,38 62.205,39 12.682,40 3.384,41 3.837,42 3.106,43 18.449,44 67.96,45 2.144,46 69000,47 224,48 13.374,49 11.703,50 2960.66,51 52506.4,52 215.938,53 35.321,54 7.013,55 275.741,56 664.568,57 3.874,58 3.297,59 6.88,60 3292,61 3.78,62 4.94,63 1.978,64 1.834,65 4.36,66 1.279,67 1.73,68 1.262,69 1.279,70 5.3}
{0 CHEMBL1996702,2 2.623,3 3.762,5 14.294,6 3.964,7 3.946,8 4.045,9 3.293,10 10.366,11 4.041,12 3.729,13 0.395,14 0.01,15 29.566,16 4.099,17 3.976,18 486,19 4.058,20 460.58,21 7.293,22 4.04,23 1032,24 8.173,25 19.437,26 24.242,27 131.396,28 23.921,29 9.943,30 330.896,31 426.34,32 27121,33 3.044,34 599.009,35 0.455,37 6.011,38 46.81,39 11.936,40 3.248,41 3.726,42 2.952,43 16.351,44 57.118,45 1.896,46 45249,47 190,48 11.023,49 10.548,50 2223.91,51 34382.9,52 183.751,53 31.748,54 5.483,55 241.559,56 581.163,57 3.736,58 3.147,59 5.38,60 2060,61 3.687,62 4.868,63 1.935,64 1.761,65 4.255,66 1.344,67 1.857,68 1.324,69 1.344,70 5.8}
{0 CHEMBL1996791,2 1.025,3 2.834,5 7.111,6 2.912,7 3.122,8 3.781,9 2.261,10 4.809,11 2.565,12 3.685,13 0.082,14 0.016,15 23.06,16 3.181,17 2.351,18 128,19 3.348,20 359.2,21 3.316,22 2.898,23 276,24 4.246,25 11.909,26 14.198,27 78.385,28 12.412,29 4.086,30 138,31 218.49,32 4624,33 2.147,34 340.459,35 0.883,37 4.649,38 10.63,39 8.66,40 2.866,41 3.11,42 1.92,43 9.531,44 25.614,45 0.156,46 8065,47 50,48 7.067,49 6.827,50 445.592,51 4038.97,52 74.418,53 17.591,54 2.192,55 137.949,56 328.355,57 3.166,58 2.076,59 7.05,60 336,61 3.416,62 3.617,63 1.513,64 1.322,65 3.636,66 -0.573,67 -0.738,68 -0.329,69 -0.573,70 5.1}
{0 CHEMBL1996795,2 2.494,3 3.833,5 15.061,6 4.017,7 3.932,8 4.054,9 3.351,10 9.942,11 3.901,12 3.82,13 0.431,14 0.013,15 31.569,16 4.011,17 3.789,18 497,19 3.968,20 467.61,21 7.014,22 3.907,23 1076,24 8.456,25 18.869,26 22.804,27 129.215,28 23.281,29 10.471,30 288.056,31 416.47,32 27393,33 2.866,34 563.861,35 0.408,37 5.912,38 43.635,39 10.894,40 3.193,41 3.732,42 2.941,43 16.242,44 54.725,45 1.604,46 47254,47 175,48 12.392,49 11.237,50 2120.75,51 33047.6,52 178.535,53 31.384,54 5.732,55 236.432,56 568.654,57 3.779,58 3.241,60 2074,61 3.757,62 4.711,63 1.956,64 1.851,65 4.223,66 1.117,67 1.5,68 1.117,69 1.117,70 5.3}
{0 CHEMBL1996817,1 3.186,2 1.22,3 3.041,4 1,5 8.35,6 3.137,7 2.696,8 3.36,9 2.471,10 5.953,11 3.255,12 3.495,13 0.084,14 0.008,15 13.931,16 3.418,17 3.056,18 167,19 3.087,20 267.36,21 3.863,22 3.288,23 357,24 4.874,25 11.465,26 13.786,27 79.58,28 12.98,29 5.186,30 171.24,31 238.89,32 5511,33 2.538,34 348.702,35 0.773,37 4.869,38 14.52,39 9.927,40 2.76,41 3.234,42 2.497,43 9.898,44 29.778,45 1,46 8244,47 74,48 6.902,49 5.133,50 596.009,51 5984.34,52 87.493,53 19.7,54 2.65,55 145.955,56 347.89,57 3.258,58 2.284,59 6.862,60 528,61 3.515,62 4.107,63 1.798,64 1.658,65 3.744,66 -0.183,67 -0.207,68 -0.169,69 -0.183,70 7.5}
{0 CHEMBL1996831,2 1.102,3 2.826,5 7.048,6 2.942,7 2.756,8 3.31,9 2.267,10 4.784,11 3.128,12 3.515,13 0.092,14 0.009,15 14.068,16 3.426,17 2.984,18 148,19 3.031,20 279.36,21 2.9,22 3.262,23 329,24 4.434,25 11.855,26 14.397,27 80.928,28 12.731,29 5.24,30 173.421,31 258.82,32 5859,33 2.583,34 347.19,35 0.788,37 5.147,38 13.669,39 10.254,40 2.772,41 3.345,42 2.641,43 10.254,44 27.733,45 1.066,46 9143,47 49,48 7.617,49 6.82,50 617.892,51 6242.53,52 91.373,53 20.029,54 1.923,55 148.154,56 353.256,57 3.382,58 2.515,59 7.31,60 463,61 3.536,62 4.084,63 1.86,64 1.577,65 3.803,66 0.388,67 0.468,68 0.383,69 0.388,70 5.4}
{0 CHEMBL1996837,2 0.714,3 2.393,5 5,6 2.445,7 0.081,8 2.34,9 1.577,10 3.034,11 1.008,12 3.165,15 4.999,16 1.846,17 0.606,18 70,19 1.042,20 210.29,21 2.083,22 1.648,23 142,24 3.303,25 8.682,26 10.809,27 57.005,28 9.614,29 1.102,30 96.529,31 161.18,32 2283,33 1.889,34 242.971,35 1.406,37 2.565,38 6.857,39 7.681,40 2.344,41 2.823,42 1.679,43 6.928,44 21.114,45 -0.259,46 3763,47 22,48 4.851,49 1.493,50 222.46,51 1717.72,52 50.908,53 13.515,54 1.277,55 103.317,56 243.854,57 2.862,58 1.73,59 7.719,60 136,61 3.023,62 2.455,63 1.543,64 1.403,65 3.36,66 -1.491,67 -1.863,68 -1.406,69 -1.491,70 4}
{0 CHEMBL1996923,1 2.475,2 0.661,3 2.257,5 4.273,6 2.185,8 0.403,9 1.495,10 2.446,12 3.405,18 47,20 188.02,21 1.565,23 100,24 2.809,25 6.817,26 8.845,27 43.99,28 7.037,30 41.303,31 118.7,32 1538,33 0.744,34 181.948,35 1.46,38 3.769,39 7.35,40 1.751,41 2.532,42 0.488,43 5.848,44 15.109,45 -1.138,46 3094,47 11,48 3.683,50 120.165,51 787.093,52 35.466,53 10.658,54 1.112,55 78.877,56 184.219,57 2.526,58 0.496,59 6.581,60 49,61 2.802,63 0.971,64 0.873,65 3.147,66 -1.919,67 -2.854,68 -1.83,69 -1.919,70 5}
{0 CHEMBL1996931,2 1.976,3 3.579,5 12.192,6 3.726,7 3.539,8 3.657,9 3.094,10 8.725,11 3.535,12 3.706,13 0.185,14 0.008,15 20.764,16 3.665,17 3.452,18 317,19 3.64,20 366.87,21 6.133,22 3.575,23 676,24 7.025,25 14.856,26 18.855,27 102.649,28 18.277,29 6.484,30 215.133,31 330.47,32 14732,33 2.687,34 478.221,35 0.515,37 5.555,38 26.698,39 9.897,40 3.094,41 3.479,42 2.735,43 12.941,44 44.574,45 1.11,46 26454,47 106,48 8.699,49 7.977,50 1211.01,51 15746.5,52 129.753,53 25.662,54 4.999,55 190.669,56 456.993,57 3.512,58 2.807,60 1068,61 3.643,62 4.294,63 1.843,64 1.723,65 3.987,66 1,67 1.481,68 0.983,69 1,70 5}
{0 CHEMBL1996979,1 3.073,2 1.515,3 3.317,4 1,5 10.192,6 3.472,7 3.43,8 3.669,9 2.705,10 6.604,11 3.372,12 3.753,13 0.311,14 0.013,15 11.886,16 3.514,17 3.353,18 265,19 3.613,20 349.36,21 4.136,22 3.499,23 580,24 6.093,25 13.462,26 16.355,27 93.764,28 16.283,29 4.904,30 184.131,31 286.41,32 13898,33 2.687,34 379.059,35 0.542,37 5.382,38 20.799,39 11.633,40 2.913,41 3.429,42 2.73,43 11.81,44 38.031,45 1.341,46 26143,47 87,48 7.912,49 5.611,50 1128.46,51 13943.1,52 126.582,53 24.948,54 3.074,55 167.618,56 400.748,57 3.418,58 2.787,59 6.843,60 946,61 3.745,62 4.11,63 1.893,64 1.803,65 4.002,66 1,67 1.5,68 1,69 1,70 7.3}
{0 CHEMBL1996980,1 3.162,2 2.007,3 3.639,4 1,5 13.069,6 3.804,7 3.663,8 4.049,9 3.112,10 9.077,11 3.85,12 3.77,13 0.288,14 0.011,15 31.314,16 3.967,17 3.697,18 379,19 3.907,20 413.96,21 6.285,22 3.827,23 824,24 7.391,25 16.961,26 20.717,27 114.443,28 20.081,29 9.009,30 262.825,31 352.3,32 18603,33 2.912,34 507.96,35 0.451,36 1,37 5.547,38 31.553,39 11.051,40 3.237,41 3.569,42 2.841,43 14.407,44 44.943,45 1.547,46 32061,47 152,48 10.175,49 9.484,50 1544.44,51 21448.3,52 149.357,53 27.915,54 4.863,55 209.514,56 502.973,57 3.584,58 2.942,59 6.843,60 1431,61 3.61,62 4.685,63 1.801,64 1.722,65 4.107,66 1.022,67 1.071,68 0.982,69 1.022,70 8.2}
{0 CHEMBL1997007,1 3.12,2 1.917,3 3.402,4 1,5 11,6 3.595,7 3.214,8 3.408,9 2.939,10 7.453,11 3.511,12 3.501,13 0.148,14 0.008,15 17.385,16 3.622,17 3.358,18 264,19 3.329,20 323.44,21 5.114,22 3.49,23 563,24 6.479,25 13.888,26 16.941,27 94.162,28 16.468,29 6.384,30 223.624,31 292.85,32 10325,33 2.67,34 424.248,35 0.556,37 5.33,38 22.847,39 10.222,40 3.078,41 3.389,42 2.645,43 11.707,44 39.539,45 1,46 16187,47 106,48 8.202,49 6.76,50 992.125,51 11947.4,52 115.754,53 23.754,54 3.763,55 175.801,56 420.714,57 3.41,58 2.594,59 6.605,60 794,61 3.465,62 4.335,63 1.911,64 1.632,65 3.911,66 0.319,67 0.376,68 0.304,69 0.319,70 5.5}
{0 CHEMBL1997023,2 1,3 2.752,5 6.5,6 2.872,7 2.578,8 3.417,9 2.155,10 5,11 2.083,12 3.483,13 0.063,14 0.016,15 11.911,16 2.878,17 2.074,18 117,19 3.167,20 265.32,21 3.59,22 2.873,23 238,24 4.311,25 10.615,26 13.638,27 69.577,28 12.925,29 2.586,30 123.372,31 214.38,32 5083,33 2.287,34 325.316,35 1.036,37 5.133,38 11.556,39 8.418,40 2.727,41 3.022,42 2.003,43 8.94,44 30.734,45 0.503,46 9548,47 42,48 5.862,49 3.683,50 439.469,51 4161,52 74.909,53 17.655,54 2.679,55 127.438,56 302.708,57 3.027,58 2.138,59 6.581,60 368,61 3.26,62 3.538,63 1.441,64 1.385,65 3.606,66 -0.953,67 -1,68 -0.9,69 -0.953,70 5.1}
{0 CHEMBL1997025,1 3.076,2 1.725,3 3.311,5 10.12,6 3.469,7 3.353,8 3.547,9 2.779,10 6.49,11 3.349,12 3.615,13 0.171,14 0.009,15 16.329,16 3.494,17 3.297,18 253,19 3.506,20 338.42,21 4.179,22 3.453,23 556,24 6.005,25 13.681,26 16.518,27 93.722,28 16.099,29 4.854,30 228.215,31 292.86,32 11313,33 2.784,34 397.287,35 0.553,37 5.693,38 22.17,39 10.855,40 2.933,41 3.447,42 2.733,43 11.72,44 35.998,45 1.328,46 19061,47 89,48 8.423,49 6.131,50 1040.76,51 12367,52 120.013,53 24.152,54 3.003,55 172.404,56 412.425,57 3.46,58 2.635,59 6.862,60 852,61 3.592,62 4.248,63 1.899,64 1.729,65 3.965,66 1,67 1,68 0.951,69 1,70 6.2}
{0 CHEMBL1997041,1 3.031,2 1.031,3 2.753,4 1,5 6.471,6 2.826,7 2.051,8 2.954,9 2.184,10 3.757,11 1.975,12 3.245,13 0.052,14 0.017,15 8.229,16 2.685,17 1.882,18 110,19 2.651,20 227.26,21 2.238,22 2.605,23 240,24 4.076,25 9.236,26 10.958,27 63.815,28 10.124,29 2.081,30 123.627,31 184.27,32 4000,33 2.19,34 258.19,35 0.883,37 4.743,38 8.367,39 9.591,40 2.515,41 3.033,42 2.183,43 7.843,44 23.63,45 0.408,46 7047,47 39,48 5.301,49 3.011,50 384.278,51 3380.34,52 68.687,53 16.696,54 1.63,55 114.38,56 270.847,57 3.032,58 2.388,59 6.605,60 285,61 3.12,62 3.361,63 1.638,64 1.463,65 3.585,66 -0.76,67 -1.033,68 -0.712,69 -0.76,70 5.1}
{0 CHEMBL1997051,2 2.603,3 3.85,5 15.273,6 4.078,7 4.456,8 4.605,9 3.349,10 12.687,11 4.454,12 3.908,13 0.642,14 0.01,15 40.319,16 4.504,17 4.392,18 672,19 4.562,20 611.73,21 8.556,22 4.451,23 1461,24 9.029,25 24.823,26 29.407,27 166.627,28 29.672,29 14.794,30 402.367,31 505.59,32 56404,33 3.208,34 695.603,35 0.361,37 6.296,38 59.857,39 15.94,40 3.422,41 3.95,42 3.048,43 20.933,44 65.956,45 2.327,46 104044,47 244,48 14.419,49 14.031,50 3858.2,51 71198,52 255.02,53 38.638,54 6.308,55 295.607,56 713.04,57 3.957,58 3.35,59 7.535,60 4574,61 3.853,62 5.188,63 1.948,64 1.869,65 4.52,66 1.843,67 2.146,68 1.678,69 1.843,70 5.5}
{0 CHEMBL1997119,2 0.859,3 2.603,5 5.813,6 2.665,7 0.568,8 2.73,9 1.924,10 3.56,11 1.622,12 3.272,15 4.614,16 2.578,17 1.282,18 93,19 1.969,20 209.27,21 2.065,22 2.345,23 204,24 3.749,25 8.668,26 10.958,27 64.113,28 9.278,29 1.579,30 112.382,31 178.2,32 3003,33 2.149,34 251.752,35 0.98,37 3.367,38 7.375,39 9.466,40 2.613,41 3.012,42 1.99,43 7.86,44 21.618,45 -0.351,46 4722,47 34,48 5.135,49 3.232,50 319.853,51 2709.12,52 62.453,53 15.679,54 1.466,55 113.182,56 267.924,57 3.028,58 2.074,59 6.823,60 246,61 3.204,62 2.822,63 1.497,64 1.363,65 3.533,66 -0.931,67 -1.39,68 -0.92,69 -0.931,70 4.2}
{0 CHEMBL1997193,2 1.149,3 3.007,5 7.913,6 3.12,7 3.958,8 3.998,9 2.426,10 6.308,11 3.387,12 3.873,13 0.21,14 0.012,15 18.829,16 3.569,17 3.223,18 182,19 4.02,20 387.27,21 4.383,22 3.469,23 384,24 4.994,25 14.455,26 17.914,27 96.151,28 15.979,29 5.579,30 168.219,31 294.75,32 9394,33 2.682,34 405.145,35 0.799,37 5.453,38 16.008,39 9.404,40 2.939,41 3.337,42 2.579,43 11.976,44 36.491,45 1.203,46 17951,47 64,48 8.334,49 6.075,50 789.399,51 8757.11,52 104.979,53 21.931,54 3.1,55 167.012,56 399.269,57 3.389,58 2.811,59 6.555,60 640,61 3.6,62 3.97,63 1.739,64 1.565,65 3.862,66 0.112,67 0.137,68 0.078,69 0.112,70 5.3}
{0 CHEMBL1997197,2 1.67,3 3.389,5 10.458,6 3.568,7 3.344,8 3.522,9 2.757,10 7.995,11 3.398,12 3.737,13 0.096,14 0.005,15 16.927,16 3.434,17 3.293,18 251,19 3.452,20 339.46,21 5.515,22 3.349,23 538,24 6.496,25 13.955,26 17.131,27 97.958,28 16.555,29 5.151,30 208.905,31 291.42,32 11468,33 2.669,34 420.699,35 0.532,37 5.267,38 20.139,39 10.311,40 2.911,41 3.364,42 2.547,43 12.212,44 39.46,45 0.943,46 19889,47 74,48 8.198,49 4.96,50 984.882,51 12115.8,52 116.172,53 23.857,54 4.382,55 174.412,56 417.326,57 3.397,58 2.516,59 6.293,60 808,61 3.554,62 4.192,63 1.63,64 1.462,65 3.911,66 0.618,67 0.78,68 0.506,69 0.618,70 5.3}
{0 CHEMBL1997275,1 3.22,2 1.174,3 3.093,4 1,5 8.591,6 3.193,7 3.136,8 3.481,9 2.465,10 5.038,11 3.24,12 3.453,13 0.167,14 0.01,15 13.5,16 3.44,17 3.15,18 189,19 3.303,20 290.34,21 3.015,22 3.369,23 420,24 5.099,25 12.013,26 15.104,27 85.5,28 13.165,29 5.083,30 179.362,31 253.64,32 7753,33 2.548,34 334.913,35 0.638,37 5.176,38 14.091,39 11.307,40 2.838,41 3.323,42 2.484,43 10.758,44 29.832,45 1.107,46 13266,47 67,48 7.037,49 4.866,50 737.596,51 7879,52 99.552,53 21.299,54 2.143,55 149.094,56 355.548,57 3.329,58 2.643,59 7.618,60 570,61 3.418,62 4.08,63 1.734,64 1.62,65 3.848,66 0.392,67 0.458,68 0.345,69 0.392,70 5.3}
{0 CHEMBL1997335,2 1.344,3 3.189,5 9.2,6 3.278,7 3.351,8 3.643,9 2.661,10 6.391,11 3.458,12 3.405,13 0.263,14 0.013,15 16.82,16 3.65,17 3.395,18 230,19 3.527,20 334.4,21 4.075,22 3.565,23 500,24 5.36,25 14.291,26 17.389,27 98.228,28 15.94,29 5.818,30 194.045,31 297.03,32 10277,33 2.657,34 408.88,35 0.662,37 5.307,38 19.04,39 11.632,40 3.032,41 3.436,42 2.686,43 12.262,44 35.737,45 1.254,46 17289,47 86,48 7.927,49 7.424,50 983.3,51 11290.4,52 117.635,53 23.579,54 2.544,55 172.274,56 412.11,57 3.436,58 2.568,60 820,61 3.394,62 4.319,63 1.655,64 1.48,65 3.97,66 0.646,67 0.75,68 0.571,69 0.646,70 6.4}
{0 CHEMBL1997340,1 2.888,2 1.588,3 3.268,5 9.478,6 3.41,7 3.045,8 3.479,9 2.697,10 5.797,11 3.145,12 3.674,13 0.162,14 0.01,15 9.704,16 3.192,17 3.085,18 218,19 3.306,20 312.36,21 3.635,22 3.196,23 486,24 5.802,25 12.398,26 15.811,27 84.034,28 14.425,29 3.766,30 198.131,31 255.11,32 9716,33 2.529,34 375.451,35 0.539,37 4.94,38 17.822,39 10.276,40 2.937,41 3.328,42 2.396,43 11.204,44 31.98,45 1.239,46 17190,47 65,48 7.581,49 3.562,50 862.847,51 9765.59,52 107.677,53 22.606,54 2.756,55 153.348,56 365.93,57 3.315,58 2.517,59 7.286,60 642,61 3.585,62 3.875,63 1.582,64 1.484,65 3.886,66 0.556,67 0.79,68 0.568,69 0.556,70 5}
{0 CHEMBL1997349,2 1.649,3 3.447,5 11.576,6 3.616,7 4.041,8 4.366,9 2.893,10 7.894,11 3.979,12 3.901,13 0.442,14 0.011,15 29.824,16 4.104,17 3.894,18 382,19 4.177,20 476.34,21 5.139,22 4.04,23 842,24 6.667,25 18.978,26 24.438,27 125.911,28 21.48,29 10.038,30 254.568,31 384.4,32 25381,33 3.135,34 525.745,35 0.504,37 6.01,38 29.928,39 13.688,40 3.301,41 3.661,42 2.801,43 16.389,44 47.705,45 2.144,46 49896,47 144,48 10.667,49 9.565,50 1909.14,51 27015,52 171.807,53 30.04,54 3.286,55 221.666,56 532.625,57 3.661,58 3.229,59 7.735,60 1778,61 3.757,62 4.719,63 1.929,64 1.854,65 4.233,66 1.333,67 1.948,68 1.265,69 1.333,70 5.9}
{0 CHEMBL1997503,2 2.497,3 3.808,5 14.581,6 4.008,7 3.775,8 3.858,9 3.268,10 9.39,11 3.703,12 3.785,13 0.3,14 0.01,15 18.727,16 3.786,17 3.659,18 452,19 3.718,20 441.95,21 6.608,22 3.695,23 969,24 8.433,25 18.095,26 22.457,27 116.864,28 21.815,29 6.749,30 283.71,31 383.93,32 24443,33 2.863,34 558.786,35 0.396,37 5.639,38 40.318,39 11.234,40 3.265,41 3.642,42 2.783,43 15.174,44 49.895,45 1.752,46 43348,47 144,48 10.666,49 8.484,50 1863.5,51 28223,52 165.457,53 29.894,54 5.266,55 220.175,56 528.987,57 3.656,58 3.051,59 7.286,60 1729,61 3.749,62 4.455,63 1.86,64 1.641,65 4.163,66 1.017,67 1.5,68 1,69 1.017,70 6.6}
{0 CHEMBL1997534,1 3.03,2 1.883,3 3.538,5 11.793,6 3.711,7 3.676,8 4.004,9 2.97,10 8.093,11 3.865,12 3.875,13 0.323,14 0.012,15 25.397,16 3.988,17 3.728,18 342,19 3.858,20 405.56,21 5.527,22 3.853,23 745,24 7.041,25 17.685,26 20.897,27 118.525,28 19.807,29 9.326,30 277.403,31 356.11,32 17376,33 2.949,34 508.817,35 0.477,37 5.603,38 27.929,39 11.57,40 3.084,41 3.612,42 2.887,43 14.365,44 44.865,45 1.616,46 29129,47 122,48 10.28,49 11.024,50 1506.74,51 20624.3,52 148.272,53 27.69,54 3.98,55 212.053,56 509.169,57 3.664,58 2.98,59 7.506,60 1343,61 3.847,62 4.635,63 1.79,64 1.621,65 4.099,66 0.983,67 1.385,68 0.877,69 0.983,70 7.2}
{0 CHEMBL1997554,2 1.446,3 3.212,5 9.593,6 3.405,7 3.955,8 3.964,9 2.652,10 7.644,11 3.503,12 3.764,13 0.353,14 0.01,15 18.92,16 3.658,17 3.58,18 259,19 3.981,20 373.37,21 5.288,22 3.731,23 543,24 5.986,25 13.787,26 16.941,27 94.509,28 18.68,29 6.51,30 189.785,31 305.78,32 15479,33 2.687,34 413.136,35 0.678,37 6.476,38 23.717,39 10.414,40 2.984,41 3.398,42 2.681,43 11.631,44 46.613,45 1.343,46 30039,47 105,48 7.765,49 6.673,50 1195,51 15312.3,52 132.417,53 25.618,54 4.546,55 173.541,56 415.199,57 3.36,58 2.795,60 1232,61 3.662,62 4.533,63 1.789,64 1.732,65 4.018,66 1,67 1.475,68 1,69 1,70 7.6}
{0 CHEMBL1997597,1 2.856,2 1.727,3 3.211,5 9.5,6 3.405,7 3.128,8 3.332,9 2.738,10 5.63,11 3.097,12 3.789,13 0.211,14 0.015,15 15.056,16 3.292,17 2.967,18 209,19 3.225,20 316.42,21 3.808,22 3.157,23 447,24 5.814,25 12.814,26 15.992,27 89.807,28 14.88,29 4.575,30 177.911,31 259.89,32 8982,33 2.622,34 366.233,35 0.613,37 5.045,38 18.496,39 10.22,40 2.907,41 3.309,42 2.516,43 11.336,44 34.709,45 1,46 16094,47 72,48 8.481,49 4.974,50 786.594,51 8714.82,52 101.84,53 21.79,54 3.108,55 158.284,56 377.973,57 3.353,58 2.484,59 6.804,60 604,61 3.734,62 3.943,63 1.798,64 1.691,65 3.822,66 0.011,67 0.013,68 0.01,69 0.011,70 5.1}
{0 CHEMBL1997611,2 1.556,3 3.17,5 9.333,6 3.329,7 3.648,8 4.066,9 2.652,10 7.003,11 3.425,12 3.508,13 0.398,14 0.015,15 17.48,16 3.602,17 3.449,18 252,19 3.805,20 373.36,21 4.891,22 3.622,23 518,24 5.589,25 14.653,26 19.878,27 91.513,28 18.857,29 5.264,30 206.213,31 310.46,32 14496,33 2.764,34 436.072,35 0.788,37 5.915,38 24.25,39 10.137,40 3.2,41 3.369,42 2.712,43 12.739,44 46.595,45 1.801,46 28174,47 106,48 7.924,49 6.234,50 1168.33,51 14261,52 130.405,53 25.109,54 3.26,55 173.67,56 415.515,57 3.315,58 3.093,59 7.066,60 1030,61 3.318,62 4.423,63 1.749,64 1.525,65 4.013,66 0.746,67 0.929,68 0.718,69 0.746,70 5.3}
{0 CHEMBL1997617,2 2.556,3 3.782,4 1,5 14.75,6 3.979,7 3.952,8 4.172,9 3.304,10 10.213,11 4.262,12 3.799,13 0.372,14 0.009,15 38.907,16 4.363,17 4.11,18 531,19 4.053,20 482.69,21 6.66,22 4.222,23 1191,24 8.297,25 20.884,26 24.485,27 145.54,28 23.475,29 13.778,30 341.54,31 440.89,32 29143,33 2.927,34 615.675,35 0.359,37 5.901,38 49.475,39 12.843,40 3.277,41 3.847,42 2.941,43 17.653,44 49.113,45 1.617,46 45600,47 199,48 13.025,49 14.263,50 2506.86,51 40265.3,52 197.523,53 33.261,54 4.89,55 260.076,56 626.346,57 3.878,58 3.224,59 7.081,60 2624,61 3.776,62 5.119,63 1.974,64 1.858,65 4.337,66 1.394,67 1.642,68 1.346,69 1.394,70 6.6}
{0 CHEMBL1997643,1 2.904,2 2.229,3 3.676,5 13.156,6 3.859,7 3.787,8 3.959,9 3.102,10 8.752,11 3.886,12 3.868,13 0.243,14 0.007,15 17.944,16 3.899,17 3.825,18 421,19 3.93,20 424.5,21 5.506,22 3.864,23 930,24 7.713,25 17.318,26 21.916,27 122.619,28 20.13,29 7.077,30 270.058,31 356.72,32 24151,33 2.911,34 499.399,35 0.399,37 5.64,38 37.016,39 13.352,40 3.154,41 3.646,42 2.895,43 15.708,44 45.824,45 1.563,46 42537,47 154,48 10.08,49 7.362,50 1914.04,51 28449.4,52 169.617,53 30.212,54 4.2,55 214.722,56 515.681,57 3.644,58 3.064,59 7.402,60 1848,61 3.841,62 4.537,63 1.988,64 1.889,65 4.213,66 1.174,67 1.683,68 1.146,69 1.174,70 7.1}
{0 CHEMBL1997764,1 3.174,2 1.692,3 3.486,4 1,5 11.462,6 3.604,7 3.37,8 3.628,9 2.936,10 7.023,11 3.47,12 3.753,13 0.239,14 0.01,15 14.785,16 3.589,17 3.414,18 298,19 3.532,20 343.41,21 4.422,22 3.531,23 655,24 6.495,25 14.192,26 17.933,27 99.795,28 16.369,29 5.268,30 205.82,31 300.36,32 13272,33 2.687,34 414.583,35 0.499,37 5.378,38 23.509,39 11.563,40 2.918,41 3.467,42 2.735,43 12.742,44 38.15,45 1.1,46 22819,47 114,48 8.224,49 5.785,50 1171.38,51 14662.1,52 127.862,53 25.245,54 3.354,55 178.81,56 428.056,57 3.475,58 2.713,59 6.843,60 1002,61 3.745,62 4.229,63 1.896,64 1.805,65 4.005,66 1,67 1.5,68 1,69 1,70 6.7}
{0 CHEMBL1997822,1 3.344,2 1.849,3 3.411,4 1,5 10.767,6 3.571,7 3.888,8 4.201,9 2.92,10 6.933,11 3.937,12 4.056,13 0.536,14 0.016,15 24.986,16 4.067,17 3.816,18 323,19 4.181,20 433.59,21 4.457,22 3.952,23 714,24 6.432,25 18.064,26 21.647,27 124.154,28 19.286,29 9.56,30 259.611,31 348.72,32 18464,33 2.815,34 472.378,35 0.504,37 5.715,38 27.733,39 13.865,40 3.38,41 3.665,42 2.812,43 15.657,44 41.517,45 1.58,46 33045,47 119,48 12.141,49 10.1,50 1553.3,51 20681.7,52 151.983,53 27.872,54 3.338,55 212.863,56 511.146,57 3.738,58 2.92,59 7.535,60 1404,61 3.965,62 4.581,63 1.807,64 1.792,65 4.145,66 1.109,67 1.651,68 1.093,69 1.109,70 7.4}
{0 CHEMBL1997846,1 3.152,2 1.444,3 3.2,4 1,5 9.217,6 3.317,7 3.335,8 3.826,9 2.666,10 6.363,11 3.501,12 3.71,13 0.14,14 0.008,15 20.189,16 3.65,17 3.354,18 212,19 3.648,20 327.85,21 4.085,22 3.522,23 473,24 5.481,25 13.475,26 16.148,27 91.288,28 14.766,29 5.763,30 192.15,31 272.25,32 8700,33 2.758,34 387.037,35 0.586,36 1,37 5.105,38 17.361,39 10.498,40 2.97,41 3.377,42 2.528,43 11.582,44 31.789,45 1.035,46 14106,47 75,48 8.408,49 6.225,50 839.316,51 9385.84,52 106.676,53 22.408,54 3.133,55 166.079,56 396.993,57 3.403,58 2.513,59 6.843,60 697,61 3.608,62 4.2,63 1.784,64 1.714,65 3.892,66 0.488,67 0.721,68 0.457,69 0.488,70 6.7}
{0 CHEMBL1997872,1 3.087,2 1.493,3 3.255,4 1,5 9.348,6 3.362,7 3.188,8 3.491,9 2.719,10 6.051,11 3.356,12 3.634,13 0.122,14 0.007,15 14.071,16 3.553,17 3.253,18 215,19 3.37,20 307.38,21 3.757,22 3.452,23 481,24 5.616,25 12.658,26 15.648,27 87.525,28 14.279,29 5.44,30 190.877,31 267.28,32 9106,33 2.606,34 368.076,35 0.562,37 5.104,38 17.183,39 10.485,40 2.866,41 3.363,42 2.587,43 11.31,44 31.873,45 1.256,46 15593,47 71,48 7.717,49 6.482,50 850.621,51 9543.35,52 107.112,53 22.509,54 2.822,55 158.815,56 379.269,57 3.37,58 2.481,59 6.581,60 672,61 3.536,62 4.164,63 1.835,64 1.664,65 3.891,66 0.674,67 0.891,68 0.668,69 0.674,70 6.8}
{0 CHEMBL1997892,2 2.091,3 3.584,5 12.567,6 3.798,7 3.875,8 4.051,9 3.048,10 8.465,11 3.423,12 3.764,13 0.39,14 0.013,15 12.916,16 3.544,17 3.463,18 377,19 3.935,20 440.81,21 6.156,22 3.544,23 788,24 7.471,25 15.951,26 19.181,27 102.564,28 21.817,29 5.076,30 221.82,31 353.05,32 25164,33 2.881,34 459.91,35 0.529,37 5.836,38 30.818,39 10.195,40 3.279,41 3.48,42 2.782,43 12.707,44 55.593,45 1.891,46 54152,47 128,48 8.732,49 6.142,50 1652.24,51 23599.4,52 156.108,53 28.612,54 5.195,55 189.866,56 455.033,57 3.437,58 3.09,60 1448,61 3.616,62 4.186,63 1.822,64 1.693,65 4.112,66 1.231,67 1.739,68 1.195,69 1.231,70 5.3}
{0 CHEMBL1997909,2 2.302,3 3.768,5 14.368,6 3.957,7 4.198,8 4.393,9 3.229,10 10.664,11 4.313,12 3.868,13 0.527,14 0.01,15 31.949,16 4.367,17 4.211,18 546,19 4.321,20 516.67,21 6.783,22 4.272,23 1215,24 8.259,25 21.444,26 26.252,27 150.779,28 24.172,29 12.33,30 333.386,31 439.06,32 36126,33 2.983,34 602.767,35 0.37,37 5.954,38 49.307,39 15.142,40 3.414,41 3.853,42 3.026,43 19.09,44 52.974,45 1.626,46 62738,47 214,48 13.077,49 11.787,50 2782.03,51 46152.5,52 210.992,53 34.523,54 5.287,55 263.235,56 634.053,57 3.886,58 3.279,59 7.535,60 3114,61 3.852,62 4.953,63 2.007,64 1.9,65 4.386,66 1.414,67 2.027,68 1.404,69 1.414,70 5.3}
{0 CHEMBL1997924,1 3.123,2 1.769,3 3.387,5 10.692,6 3.56,7 3.706,8 3.819,9 2.907,10 6.783,11 3.796,12 3.836,13 0.208,14 0.007,15 17.62,16 3.78,17 3.665,18 278,19 3.753,20 362.5,21 4.153,22 3.684,23 635,24 6.398,25 14.884,26 17.7,27 107.428,28 15.917,29 6.598,30 217.46,31 292.61,32 13012,33 2.687,34 407.308,35 0.45,37 5.268,38 24.657,39 11.309,40 3.054,41 3.499,42 2.721,43 13.303,44 33.878,45 1.177,46 21867,47 101,48 9.583,49 6.842,50 1157.15,51 14606.5,52 127.685,53 25.299,54 3.647,55 181.608,56 434.884,57 3.537,58 2.937,59 7.955,60 1086,61 3.845,62 4.351,63 1.687,64 1.553,65 4.011,66 0.814,67 1.124,68 0.744,69 0.814,70 7.1}
{0 CHEMBL1998068,1 3.172,2 1.421,3 3.169,4 1,5 9.136,6 3.285,7 3.233,8 3.79,9 2.665,10 6.547,11 3.315,12 3.549,13 0.185,14 0.012,15 15.673,16 3.503,17 3.185,18 201,19 3.556,20 316.82,21 4.502,22 3.386,23 429,24 5.348,25 13.185,26 16.027,27 89.755,28 15.129,29 5.187,30 194.621,31 265.1,32 8031,33 2.58,34 391.442,35 0.699,36 1,37 5.024,38 16.76,39 10.118,40 2.999,41 3.293,42 2.5,43 10.958,44 34.379,45 1.035,46 13626,47 82,48 7.405,49 5.817,50 758.842,51 8232.54,52 100.444,53 21.509,54 3.365,55 161.082,56 384.801,57 3.308,58 2.513,59 6.843,60 642,61 3.454,62 4.109,63 1.817,64 1.611,65 3.828,66 -0.137,67 -0.156,68 -0.127,69 -0.137,70 8}
{0 CHEMBL1998110,2 1.69,3 3.414,5 10.76,6 3.546,7 3.485,8 3.715,9 2.889,10 7.749,11 3.594,12 3.723,13 0.245,14 0.011,15 23.807,16 3.743,17 3.457,18 269,19 3.616,20 353.48,21 5.443,22 3.608,23 572,24 6.298,25 15.132,26 18.165,27 99.108,28 17.56,29 7.908,30 217.95,31 312.81,32 11901,33 2.687,34 455.734,35 0.591,37 5.448,38 21.872,39 9.795,40 3,41 3.434,42 2.735,43 12.488,44 41.845,45 1.148,46 20248,47 91,48 8.725,49 8.526,50 1063.76,51 13017.7,52 121.309,53 24.414,54 4.049,55 184.004,56 440.731,57 3.481,58 2.582,59 6.823,60 914,61 3.632,62 4.456,63 1.761,64 1.612,65 3.945,66 0.722,67 1.02,68 0.642,69 0.722,70 5.3}
{0 CHEMBL1998112,2 1.577,3 3.341,5 10.241,6 3.496,7 3.861,8 4,9 2.76,10 8.011,11 3.885,12 3.835,13 0.404,14 0.011,15 21.362,16 3.997,17 3.826,18 297,19 3.979,20 389.45,21 5.273,22 3.951,23 637,24 6.248,25 15.917,26 20.38,27 106.952,28 19.086,29 8.172,30 242.568,31 331.15,32 16794,33 2.903,34 467.609,35 0.573,37 5.867,38 25.42,39 12.03,40 3.07,41 3.525,42 2.872,43 14.101,44 44.446,45 1.477,46 29854,47 113,48 8.828,49 8.297,50 1419.3,51 18817.4,52 145.456,53 27.084,54 3.712,55 196.395,56 470.963,57 3.506,58 2.827,59 6.605,60 1326,61 3.753,62 4.66,63 1.799,64 1.722,65 4.105,66 1,67 1.476,68 1.008,69 1,70 5.4}
{0 CHEMBL1998121,1 2.874,2 1.417,3 3.24,5 9.417,6 3.382,7 3.602,8 3.868,9 2.69,10 7.426,11 3.638,12 3.66,13 0.238,14 0.011,15 23.476,16 3.742,17 3.493,18 226,19 3.83,20 363.27,21 5.286,22 3.619,23 483,24 5.774,25 14.234,26 18.104,27 96.248,28 17.082,29 7.012,30 204.877,31 294.97,32 11310,33 2.81,34 421.84,35 0.645,37 5.402,38 18.5,39 9.718,40 3.194,41 3.375,42 2.644,43 12.157,44 39.179,45 1.133,46 21323,47 74,48 8.228,49 7.825,50 933.341,51 10989.9,52 113.703,53 23.338,54 3.854,55 176.08,56 421.395,57 3.4,58 2.517,59 6.581,60 822,61 3.491,62 4.338,63 1.787,64 1.59,65 3.906,66 0.437,67 0.587,68 0.416,69 0.437,70 5.2}
{0 CHEMBL1998193,2 2.308,3 3.862,5 15,6 4.06,7 3.223,8 3.413,9 3.239,10 11.957,11 3.551,12 3.619,13 0.09,14 0.005,15 20.824,16 3.598,17 3.408,18 390,19 3.28,20 356.48,21 9.118,22 3.463,23 810,24 8.904,25 14.572,26 18.452,27 97.856,28 19.826,29 6.287,30 220.193,31 335.9,32 17438,33 2.681,34 493.835,35 0.437,37 5.362,38 29.538,39 8.109,40 3.092,41 3.421,42 2.652,43 12.737,44 55.827,45 1.242,46 30003,47 106,48 8.636,49 6.462,50 1319.51,51 19520,52 135.576,53 26.818,54 8.976,55 193.985,56 465.083,57 3.433,58 2.442,60 1144,61 3.625,62 4.478,63 1.933,64 1.764,65 3.975,66 0.817,67 0.858,68 0.787,69 0.817,70 5}
{0 CHEMBL1998253,2 0.673,3 2.419,5 4.929,6 2.441,7 0.12,8 2.107,9 1.788,10 3.407,11 1.283,12 3.282,15 3.974,16 2.232,17 0.81,18 69,19 0.997,20 186.28,21 2.236,22 1.867,23 141,24 3.322,25 8.489,26 10.129,27 61.637,28 9.189,29 1.44,30 105.096,31 178.44,32 1818,33 1.92,34 261.584,35 1.333,37 2.944,38 6.041,39 8.099,40 2.499,41 2.923,42 1.889,43 6.698,44 21.072,45 -0.6,46 2440,47 22,48 4.645,49 2.488,50 222.147,51 1738.51,52 51.106,53 13.625,54 1.532,55 110.043,56 260.266,57 2.973,58 1.87,60 156,61 3.222,62 2.831,63 1.628,64 1.393,65 3.375,66 -1.21,67 -1.491,68 -1.152,69 -1.21,70 5.3}
{0 CHEMBL1998414,1 2.91,2 1.537,3 3.339,5 10.286,6 3.485,7 3.198,8 3.327,9 2.761,10 6.16,11 3.226,12 3.575,13 0.161,14 0.011,15 12.319,16 3.235,17 3.08,18 216,19 3.287,20 319.84,21 4.266,22 3.133,23 469,24 6.087,25 13.015,26 15.673,27 87.35,28 14.544,29 4.387,30 162.77,31 255.31,32 8721,33 2.675,34 367.404,35 0.537,37 4.844,38 16.748,39 9.339,40 2.879,41 3.271,42 2.43,43 10.828,44 32.552,45 1,46 16072,47 74,48 7.799,49 4.314,50 731.862,51 8096.22,52 97.102,53 21.319,54 3.273,55 155.827,56 371.977,57 3.329,58 2.422,59 7.506,60 561,61 3.382,62 3.782,63 1.71,64 1.538,65 3.78,66 0.051,67 0.061,68 0.041,69 0.051,70 5.1}
{0 CHEMBL1998432,1 3.161,2 1.5,3 3.227,4 1,5 9.333,6 3.367,7 3.518,8 3.887,9 2.69,10 6.575,11 3.589,12 3.737,13 0.185,14 0.009,15 20.704,16 3.677,17 3.45,18 224,19 3.71,20 342.87,21 4.293,22 3.565,23 496,24 5.677,25 13.923,26 17.018,27 96.671,28 15.67,29 6.249,30 219.329,31 283.25,32 9917,33 2.747,34 405.628,35 0.572,36 1,37 5.25,38 18.424,39 10.598,40 3.034,41 3.407,42 2.598,43 11.975,44 33.804,45 1.208,46 16467,47 74,48 8.558,49 5.992,50 929.313,51 10763.3,52 113.214,53 23.246,54 3.356,55 172.874,56 413.571,57 3.427,58 2.651,59 6.843,60 766,61 3.607,62 4.269,63 1.79,64 1.72,65 3.929,66 0.488,67 0.721,68 0.457,69 0.488,70 7.6}
{0 CHEMBL1998435,2 1.42,3 3.194,5 9.1,6 3.275,7 2.834,8 3.193,9 2.709,10 5.783,11 3,12 3.462,13 0.086,14 0.007,15 11.122,16 3.245,17 2.897,18 182,19 3.055,20 265.34,21 3.682,22 3.14,23 390,24 5.244,25 10.952,26 13.786,27 80.13,28 12.733,29 3.675,30 167.525,31 236.25,32 6328,33 2.511,34 347.24,35 0.676,37 4.899,38 15.64,39 10.092,40 2.691,41 3.222,42 2.423,43 9.865,44 29.989,45 0.878,46 10636,47 72,48 6.516,49 4.585,50 622.161,51 6313.91,52 88.671,53 19.969,54 2.849,55 143.028,56 340.748,57 3.241,58 2.346,60 484,61 3.38,62 3.892,63 1.775,64 1.531,65 3.746,66 -0.332,67 -0.448,68 -0.32,69 -0.332,70 5.9}
{0 CHEMBL1998470,1 3.125,2 1.421,3 3.169,4 1,5 9.136,6 3.285,7 3.249,8 3.797,9 2.665,10 6.365,11 3.249,12 3.587,13 0.185,14 0.012,15 15.867,16 3.43,17 3.135,18 201,19 3.497,20 314.8,21 4.298,22 3.33,23 429,24 5.348,25 12.815,26 16.027,27 86.409,28 14.855,29 4.805,30 183.995,31 262.46,32 8204,33 2.556,34 376.343,35 0.699,36 1,37 5.166,38 16.76,39 10.192,40 3.039,41 3.284,42 2.453,43 10.958,44 34.379,45 1.039,46 14173,47 82,48 7.448,49 5.065,50 758.842,51 8232.54,52 100.444,53 21.509,54 3.251,55 158.155,56 377.658,57 3.3,58 2.513,59 6.843,60 642,61 3.514,62 4.011,63 1.853,64 1.66,65 3.828,66 -0.137,67 -0.162,68 -0.131,69 -0.137,70 6.1}
{0 CHEMBL1998545,2 1.898,3 3.511,5 11.56,6 3.66,7 3.296,8 3.567,9 2.953,10 8.339,11 3.468,12 3.696,13 0.144,14 0.007,15 16.405,16 3.62,17 3.384,18 289,19 3.455,20 332.43,21 5.682,22 3.527,23 618,24 6.757,25 13.8,26 17.485,27 97.844,28 17.032,29 6.042,30 212.379,31 315.26,32 12241,33 2.687,34 456.819,35 0.528,37 5.431,38 24.986,39 9.778,40 2.845,41 3.453,42 2.735,43 12.258,44 41.964,45 1.09,46 20445,47 92,48 8.222,49 7.614,50 1097.95,51 13818.6,52 122.832,53 24.79,54 4.602,55 182.337,56 436.661,57 3.487,58 2.444,60 947,61 3.642,62 4.271,63 1.847,64 1.723,65 3.952,66 1,67 1.477,68 0.983,69 1,70 5}
{0 CHEMBL1998551,2 1.415,3 3.195,5 9.345,6 3.352,7 3.909,8 4.102,9 2.672,10 6.33,11 3.854,12 3.796,13 0.56,14 0.015,15 26.302,16 4.021,17 3.817,18 271,19 4.033,20 396.44,21 3.973,22 3.969,23 598,24 5.754,25 15.894,26 18.596,27 104.045,28 18.201,29 8.519,30 237.556,31 312.33,32 16418,33 2.735,34 450.825,35 0.575,37 5.932,38 23.237,39 12.398,40 3.033,41 3.538,42 2.637,43 13.021,44 39.288,45 1.623,46 30399,47 108,48 9.333,49 9.922,50 1360.84,51 17485.1,52 143.307,53 26.668,54 2.904,55 186.462,56 446.728,57 3.519,58 3.12,59 7.947,60 1323,61 3.716,62 4.752,63 1.847,64 1.641,65 4.112,66 1.12,67 1.598,68 1.069,69 1.12,70 6.3}
{0 CHEMBL1998585,2 2.044,3 3.615,5 12.806,6 3.841,7 3.626,8 3.936,9 3.039,10 8.217,11 3.497,12 3.815,13 0.304,14 0.011,15 14.424,16 3.537,17 3.466,18 397,19 3.813,20 447.45,21 5.61,22 3.537,23 857,24 7.794,25 16.313,26 19.156,27 110.765,28 21.165,29 6.476,30 223.46,31 339.06,32 27528,33 2.754,34 448.739,35 0.428,37 5.619,38 31.584,39 12.116,40 3.293,41 3.546,42 2.735,43 13.551,44 49.804,45 1.756,46 58504,47 112,48 9.63,49 5.379,50 1786.06,51 26471.3,52 163.596,53 29.5,54 4.505,55 194.734,56 466.91,57 3.527,58 2.981,59 6.862,60 1553,61 3.759,62 4.259,63 1.789,64 1.748,65 4.161,66 1.064,67 1.577,68 1,69 1.064,70 6.1}
{0 CHEMBL1998611,2 0.747,3 2.433,5 5.067,6 2.482,7 0.028,8 3.463,9 1.566,10 3.92,11 0.457,12 3.761,15 5.085,16 1.774,17 0.245,18 76,19 1.22,20 305.59,21 2.919,22 1.44,23 154,24 3.431,25 10.54,26 13.016,27 66.929,28 11.169,29 0.838,30 88.239,31 188.33,32 3193,33 2.068,34 268.509,35 1.36,37 1.609,38 7.369,39 8.106,40 2.886,41 2.907,42 1.599,43 8.294,44 23.301,45 -0.042,46 6474,47 25,48 5.966,49 2.447,50 260.568,51 2135.03,52 56.301,53 14.456,54 1.746,55 116.64,56 276.362,57 2.98,58 1.763,59 7.066,60 172,61 3.028,62 1.515,63 1.293,64 1.055,65 3.429,66 -1.076,67 -1.575,68 -1.041,69 -1.076,70 6.5}
{0 CHEMBL1998680,2 2.226,3 3.734,5 14.395,6 3.938,7 4.298,8 4.305,9 3.251,10 11.698,11 4.366,12 3.75,13 0.618,14 0.011,15 40.179,16 4.342,17 4.306,18 547,19 4.278,20 514.63,21 8.376,22 4.287,23 1159,24 8.212,25 21.524,26 27.286,27 142.821,28 27.21,29 14.141,30 357.908,31 470.85,32 35781,33 3.212,34 684.247,35 0.476,37 6.404,38 47.479,39 12.586,40 3.38,41 3.826,42 3.122,43 18.168,44 67.357,45 1.869,46 61610,47 247,48 12.219,49 13.136,50 2768.34,51 46220.9,52 211.007,53 34.451,54 6.551,55 268.477,56 646.844,57 3.838,58 3.308,59 6.862,60 3194,61 3.719,62 5.185,63 1.989,64 1.784,65 4.357,66 1.38,67 1.802,68 1.326,69 1.38,70 5.3}
{0 CHEMBL1998826,1 2.984,2 1.821,3 3.364,5 10.48,6 3.586,7 3.53,8 3.628,9 2.733,10 7.023,11 3.533,12 3.803,13 0.304,14 0.014,15 21.497,16 3.628,17 3.423,18 262,19 3.649,20 360.48,21 4.975,22 3.538,23 554,24 6.585,25 15.169,26 18.277,27 96.768,28 17.711,29 6.62,30 226.869,31 303.28,32 12906,33 2.597,34 442.6,35 0.553,37 5.595,38 23.302,39 10.456,40 2.95,41 3.419,42 2.63,43 12.737,44 42.001,45 1.219,46 22979,47 82,48 9.635,49 6.58,50 1075.67,51 13485.9,52 122.257,53 24.54,54 4.115,55 181.465,56 434.535,57 3.456,58 2.646,59 6.804,60 913,61 3.715,62 4.452,63 1.787,64 1.725,65 3.943,66 0.652,67 0.931,68 0.644,69 0.652,70 6.9}
{0 CHEMBL1998829,1 3.167,2 1.594,3 3.405,4 1,5 10.72,6 3.519,7 3.422,8 3.699,9 2.889,10 6.614,11 3.437,12 3.756,13 0.239,14 0.011,15 12.534,16 3.557,17 3.357,18 268,19 3.503,20 347.82,21 4.162,22 3.478,23 591,24 6.176,25 13.918,26 17.725,27 98.136,28 15.731,29 4.952,30 183.376,31 289.48,32 12472,33 2.687,34 394.793,35 0.521,37 5.222,38 21.357,39 11.454,40 2.927,41 3.431,42 2.735,43 12.492,44 35.986,45 1.099,46 22726,47 97,48 8.178,49 5.636,50 1055.72,51 12751.8,52 120.793,53 24.324,54 3.236,55 173.554,56 415.233,57 3.45,58 2.713,59 6.843,60 873,61 3.745,62 4.087,63 1.894,64 1.805,65 3.967,66 1,67 1.5,68 1,69 1,70 6.7}
{0 CHEMBL1998953,1 3.288,2 1.111,3 2.958,4 1,5 7.667,6 3.025,7 2.617,8 3.522,9 2.398,10 5.398,11 3.32,12 3.647,13 0.032,14 0.004,15 16.029,16 3.593,17 3.082,18 161,19 3.161,20 278.39,21 3.263,22 3.429,23 359,24 4.634,25 11.919,26 14.071,27 85.813,28 12.695,29 6.132,30 173.376,31 246.04,32 5845,33 2.687,34 343.439,35 0.73,37 4.878,38 12.898,39 10.351,40 2.866,41 3.314,42 2.658,43 10.433,44 27.747,45 1,46 8804,47 58,48 7.558,49 6.509,50 635.215,51 6499.94,52 92.231,53 20.272,54 2.268,55 150.952,56 360.083,57 3.344,58 2.289,59 6.862,60 554,61 3.633,62 4.224,63 1.789,64 1.691,65 3.811,66 0.577,67 0.797,68 0.537,69 0.577,70 5.3}
{0 CHEMBL1999112,2 1.37,3 3.066,5 8.759,6 3.269,7 3.723,8 4.358,9 2.548,10 7.897,11 3.774,12 3.772,13 0.291,14 0.01,15 17.851,16 3.944,17 3.722,18 254,19 3.902,20 409.45,21 5.309,22 3.89,23 544,24 5.538,25 16.064,26 20.897,27 105.915,28 19.496,29 7.899,30 227.46,31 349.74,32 16213,33 2.847,34 467.674,35 0.708,37 5.939,38 25.12,39 10.138,40 3.153,41 3.518,42 2.562,43 14.47,44 44.129,45 2.087,46 30590,47 101,48 9.5,49 9.711,50 1327.14,51 17013.6,52 142.316,53 26.587,54 3.285,55 192.337,56 461.063,57 3.511,58 2.843,59 7.703,60 1261,61 3.62,62 4.613,63 1.722,64 1.49,65 4.098,66 0.897,67 1.141,68 0.844,69 0.897,70 5.8}
{0 CHEMBL1999120,1 2.434,2 0.653,3 2.332,5 4.714,6 2.357,8 1.891,9 1.689,10 3.134,12 3.279,16 1.33,18 66,19 0.215,20 193.23,21 2.077,22 0.891,23 135,24 3.243,25 7.957,26 10.293,27 51.953,28 9.276,30 98.587,31 168.66,32 2200,33 1.591,34 253.864,35 1.4,38 5.918,39 7.169,40 2.47,41 2.817,42 1.487,43 6.592,44 21.04,45 -0.451,46 3527,47 21,48 4.396,49 1.247,50 214.443,51 1708.94,52 50.847,53 13.511,54 1.452,55 98.981,56 233.272,57 2.803,58 1.67,59 6.823,60 146,61 3.12,63 1.417,64 1.293,65 3.367,66 -1.347,67 -1.703,68 -1.307,69 -1.347,70 4}
{0 CHEMBL1999126,2 1.49,3 3.355,5 10.806,6 3.51,7 3.851,8 4.142,9 2.776,10 7.088,11 3.897,12 3.74,13 0.426,14 0.012,15 24.168,16 4.034,17 3.818,18 335,19 3.905,20 407.46,21 4.357,22 3.964,23 745,24 6.246,25 16.865,26 21.698,27 116.302,28 19.054,29 9.373,30 240.959,31 353.98,32 19182,33 2.883,34 482.941,35 0.53,37 5.933,38 26.006,39 13.433,40 3.162,41 3.617,42 2.798,43 15.007,44 43.446,45 1.726,46 34130,47 127,48 9.706,49 9.196,50 1632.36,51 21956.3,52 157.524,53 28.454,54 2.828,55 205,56 491.96,57 3.616,58 3.051,59 7.735,60 1521,61 3.743,62 4.697,63 1.94,64 1.854,65 4.177,66 1.149,67 1.647,68 1.13,69 1.149,70 5}
{0 CHEMBL1999153,1 3.071,2 1.687,3 3.356,4 1,5 10.481,6 3.559,7 3.489,8 3.663,9 2.742,10 6.919,11 3.449,12 3.732,13 0.251,14 0.01,15 11.307,16 3.484,17 3.421,18 283,19 3.67,20 369.38,21 4.447,22 3.475,23 617,24 6.509,25 13.956,26 16.355,27 97.095,28 17.354,29 5.128,30 204.905,31 291.03,32 16480,33 2.671,34 393.128,35 0.498,37 5.411,38 22.387,39 11.992,40 3.124,41 3.437,42 2.624,43 11.81,44 40.3,45 1.337,46 32219,47 89,48 8.167,49 4.416,50 1249.38,51 16216.6,52 134.221,53 25.93,54 3.587,55 171.743,56 410.814,57 3.409,58 2.539,59 6.843,60 1065,61 3.602,62 4.158,63 1.831,64 1.735,65 4.037,66 1,67 1.5,68 0.946,69 1,70 7.7}
{0 CHEMBL1999279,1 3.188,2 1.45,3 3.316,4 1,5 10.08,6 3.44,7 3.345,8 3.608,9 2.725,10 6.211,11 3.617,12 3.721,13 0.272,14 0.012,15 15.295,16 3.674,17 3.499,18 252,19 3.443,20 329.44,21 3.887,22 3.562,23 557,24 5.924,25 14.192,26 17.278,27 100.177,28 15.646,29 6.167,30 209.95,31 290.12,32 10777,33 2.687,34 421.18,35 0.548,37 5.175,38 19.142,39 11.474,40 2.816,41 3.449,42 2.618,43 12.133,44 35.934,45 1.178,46 17443,47 82,48 8.226,49 6.563,50 1032.05,51 12321.7,52 119.966,53 24.146,54 3.077,55 177.741,56 425.449,57 3.472,58 2.515,59 6.843,60 836,61 3.605,62 4.279,63 1.842,64 1.736,65 3.965,66 1,67 1.5,68 0.946,69 1,70 7.8}
{0 CHEMBL1999321,2 2.138,3 3.759,5 14,6 3.94,7 3.487,8 3.759,9 3.237,10 8.718,11 3.619,12 3.762,13 0.221,14 0.009,15 17.235,16 3.754,17 3.54,18 406,19 3.66,20 385.45,21 5.686,22 3.686,23 888,24 8.14,25 15.592,26 20.054,27 112.669,28 18.913,29 6.761,30 229.323,31 352.01,32 20938,33 2.687,34 473.389,35 0.382,37 5.57,38 33.66,39 10.852,40 2.885,41 3.563,42 2.735,43 14.204,44 45.078,45 1.527,46 37350,47 132,48 9.266,49 7.729,50 1599.73,51 23482.9,52 152.106,53 28.48,54 4.529,55 199.064,56 477.475,57 3.57,58 2.672,60 1432,61 3.776,62 4.395,63 1.955,64 1.843,65 4.106,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL1999414,2 3.061,3 3.978,5 16.658,6 4.211,7 4.109,8 4.175,9 3.485,10 13.074,11 4.225,12 3.806,13 0.401,14 0.009,15 36.461,16 4.238,17 4.115,18 633,19 4.105,20 530.76,21 9.588,22 4.134,23 1334,24 9.651,25 22.822,26 27.424,27 156.668,28 27.868,29 12.669,30 389.215,31 487.63,32 38019,33 3.145,34 692.591,35 0.388,37 6.052,38 62.205,39 12.682,40 3.386,41 3.862,42 3.123,43 18.843,44 67.96,45 2.136,46 60636,47 224,48 13.685,49 11.882,50 2960.66,51 52506.4,52 215.938,53 35.321,54 7.042,55 284.135,56 685.05,57 3.911,58 3.304,59 6.88,60 3292,61 3.784,62 4.972,63 1.984,64 1.836,65 4.36,66 1.279,67 1.73,68 1.262,69 1.279,70 5.5}
{0 CHEMBL1999428,2 1.811,3 3.416,5 10.783,6 3.556,7 3.085,8 3.333,9 2.893,10 6.996,11 3.323,12 3.685,13 0.135,14 0.008,15 12.63,16 3.455,17 3.217,18 248,19 3.231,20 302.4,21 4.606,22 3.347,23 533,24 6.311,25 12.938,26 16.071,27 91.545,28 15.142,29 4.985,30 184.15,31 289.17,32 9488,33 2.687,34 408.656,35 0.551,37 5.134,38 21.07,39 9.736,40 2.687,41 3.382,42 2.735,43 11.237,44 37.069,45 1,46 15431,47 77,48 7.601,49 5.957,50 899.559,51 10518.3,52 109.384,53 23.018,54 3.711,55 168.748,56 403.505,57 3.423,58 2.389,60 727,61 3.638,62 4.052,63 1.839,64 1.718,65 3.871,66 0.875,67 1.175,68 0.878,69 0.875,70 5.8}
{0 CHEMBL1999484,2 1.937,3 3.579,5 12.296,6 3.731,7 3.526,8 3.684,9 3.056,10 8.297,11 3.607,12 3.71,13 0.198,14 0.008,15 19.911,16 3.706,17 3.476,18 332,19 3.545,20 381.56,21 5.621,22 3.561,23 727,24 7.067,25 16.306,26 18.993,27 112.392,28 18.293,29 6.509,30 240.683,31 329.51,32 14660,33 2.866,34 471.071,35 0.45,37 5.214,38 27.221,39 10.693,40 2.998,41 3.515,42 2.815,43 13.633,44 40.461,45 1.253,46 23854,47 109,48 9.858,49 7.286,50 1309.44,51 17286.4,52 135.914,53 26.339,54 4.264,55 198.723,56 476.645,57 3.555,58 2.754,59 6.804,60 1123,61 3.546,62 4.337,63 1.839,64 1.671,65 4.04,66 1,67 1.24,68 0.965,69 1,70 5.6}
{0 CHEMBL1999496,2 1.281,3 3.146,5 8.962,6 3.304,7 3.504,8 3.881,9 2.493,10 6.512,11 3.929,12 3.771,13 0.157,14 0.006,15 25.854,16 4.068,17 3.778,18 233,19 3.757,20 342.47,21 4.18,22 3.927,23 507,24 5.617,25 15.068,26 18.148,27 103.679,28 16.689,29 9.735,30 216.568,31 328.71,32 10904,33 2.687,34 460.38,35 0.637,37 5.684,38 21.923,39 9.406,40 2.941,41 3.54,42 2.735,43 12.592,44 37.676,45 1.25,46 17132,47 99,48 8.946,49 11.92,50 1073.7,51 13172.9,52 124.872,53 24.648,54 3.219,55 190.132,56 455.681,57 3.589,58 2.742,59 8.339,60 1132,61 3.746,62 4.718,63 1.936,64 1.824,65 3.991,66 1,67 1.5,68 0.983,69 1,70 5}
{0 CHEMBL1999506,2 2.447,3 3.812,5 15.205,6 4.048,7 4.27,8 4.282,9 3.352,10 12.351,11 4.412,12 3.778,13 0.702,14 0.013,15 43.943,16 4.388,17 4.331,18 593,19 4.307,20 527.68,21 8.926,22 4.323,23 1255,24 8.789,25 22.323,26 27.993,27 148.467,28 28.184,29 14.08,30 384.196,31 490.36,32 39436,33 3.239,34 710.672,35 0.444,37 6.427,38 53.72,39 12.753,40 3.406,41 3.865,42 3.09,43 18.613,44 70.266,45 1.841,46 67023,47 257,48 12.884,49 13.643,50 2999.77,51 52165.1,52 219.923,53 35.488,54 7.391,55 280.867,56 677.076,57 3.887,58 3.239,59 6.862,60 3602,61 3.739,62 5.243,63 1.992,64 1.784,65 4.382,66 1.387,67 1.9,68 1.382,69 1.387,70 5.3}
{0 CHEMBL1999590,2 1.749,3 3.412,5 10.885,6 3.592,7 3.381,8 3.725,9 2.921,10 7.338,11 3.481,12 3.761,13 0.15,14 0.007,15 17.646,16 3.689,17 3.399,18 283,19 3.587,20 344.41,21 4.585,22 3.609,23 623,24 6.514,25 14.073,26 17.769,27 102.142,28 16.246,29 5.301,30 210.968,31 289.97,32 13645,33 2.681,34 414.956,35 0.497,37 5.369,38 25.349,39 11.813,40 2.897,41 3.419,42 2.613,43 12.793,44 38.072,45 1.064,46 23834,47 102,48 8.065,49 6.703,50 1167.31,51 14779.3,52 128.012,53 25.345,54 3.736,55 176.012,56 421.229,57 3.41,58 2.632,59 7.273,60 1080,61 3.684,62 4.36,63 1.755,64 1.545,65 4.004,66 0.884,67 1.235,68 0.859,69 0.884,70 6.3}
{0 CHEMBL1999714,2 0.934,3 2.694,5 6.294,6 2.727,7 1.397,8 2.709,9 1.971,10 3.807,11 2.115,12 3.268,13 0.031,14 0.016,15 4.213,16 2.698,17 1.873,18 107,19 2.083,20 224.28,21 2.286,22 2.495,23 234,24 3.835,25 9.45,26 11.828,27 66.782,28 10.209,29 1.838,30 132.127,31 204.19,32 3451,33 2.207,34 273.382,35 0.963,37 3.62,38 8.401,39 9.21,40 2.705,41 3.081,42 2.253,43 8.237,44 23.533,45 0.286,46 5451,47 33,48 5.52,49 3.401,50 370.835,51 3216.23,52 67.81,53 16.487,54 1.756,55 119.976,56 284.502,57 3.102,58 2.327,59 5.38,60 184,61 3.142,62 2.93,63 1.546,64 1.278,65 3.59,66 -0.817,67 -1.155,68 -0.826,69 -0.817,70 5}
{0 CHEMBL1999718,2 1.769,3 3.466,5 11.615,6 3.648,7 3.411,8 3.635,9 2.903,10 6.896,11 3.232,12 3.596,13 0.238,14 0.01,15 8.938,16 3.259,17 3.256,18 302,19 3.563,20 357.32,21 4.644,22 3.316,23 637,24 6.689,25 13.003,26 16.234,27 86.281,28 17.509,29 4.142,30 179.362,31 285.84,32 16623,33 2.622,34 384.608,35 0.565,37 5.584,38 24.923,39 10.702,40 3.086,41 3.332,42 2.546,43 11.152,44 44.548,45 1.499,46 34913,47 118,48 7.268,49 4.043,50 1185.71,51 15011,52 128.482,53 25.324,54 4.037,55 161.021,56 384.651,57 3.279,58 2.77,60 1040,61 3.443,62 4.003,63 1.638,64 1.522,65 3.982,66 0.581,67 1.071,68 0.544,69 0.581,70 5}
{0 CHEMBL1999811,2 1.584,3 3.338,5 10.522,6 3.538,7 3.088,8 3.483,9 2.736,10 6.789,11 3.01,12 3.614,13 0.191,14 0.012,15 7.214,16 3.011,17 2.986,18 242,19 3.277,20 329.37,21 4.573,22 3.006,23 523,24 6.409,25 12.411,26 16.587,27 86.831,28 15.491,29 2.915,30 170.974,31 257.1,32 11824,33 2.576,34 386.661,35 0.522,37 4.989,38 17.705,39 10.361,40 2.836,41 3.246,42 2.363,43 11.631,44 37.161,45 1,46 23404,47 80,48 7.197,49 3.177,50 895.024,51 10710.9,52 109.912,53 23.037,54 3.682,55 153.628,56 366.611,57 3.221,58 2.533,59 6.605,60 708,61 3.246,62 3.704,63 1.476,64 1.357,65 3.868,66 0.249,67 0.291,68 0.239,69 0.249,70 6}
{0 CHEMBL1999931,1 2.908,2 2.133,3 3.655,5 12.933,6 3.812,7 3.63,8 3.863,9 3.095,10 7.936,11 3.777,12 3.843,13 0.191,14 0.006,15 15.786,16 3.818,17 3.699,18 388,19 3.793,20 394.47,21 4.837,22 3.769,23 866,24 7.436,25 15.987,26 20.338,27 116.156,28 18.286,29 6.46,30 233.814,31 330.63,32 20366,33 2.757,34 458.207,35 0.403,37 5.495,38 34.329,39 13.05,40 3.154,41 3.593,42 2.735,43 14.759,44 41.72,45 1.355,46 35659,47 134,48 9.551,49 6.428,50 1658.06,51 23500.7,52 155.863,53 28.712,54 3.894,55 201.133,56 482.525,57 3.599,58 2.948,59 7.402,60 1514,61 3.84,62 4.408,63 2,64 1.894,65 4.154,66 1.01,67 1.5,68 1.002,69 1.01,70 7.7}
{0 CHEMBL2000029,1 2.944,2 1.477,3 3.203,5 9.276,6 3.382,7 3.84,8 4.035,9 2.695,10 7.191,11 4.149,12 3.81,13 0.306,14 0.008,15 25.027,16 4.177,17 4.021,18 269,19 3.991,20 380.49,21 4.378,22 4.078,23 601,24 5.923,25 16.002,26 19.794,27 118.966,28 17.655,29 10.648,30 241.246,31 324.48,32 15203,33 2.834,34 451.259,35 0.549,37 5.73,38 25.696,39 12.08,40 2.965,41 3.593,42 2.785,43 14.204,44 39.22,45 1.44,46 25406,47 111,48 9.479,49 10.274,50 1373.06,51 18048.3,52 144.154,53 26.956,54 3.197,55 200.064,56 479.917,57 3.614,58 2.825,59 7.516,60 1455,61 3.83,62 4.8,63 2,64 1.891,65 4.121,66 1.138,67 1.65,68 1.102,69 1.138,70 5.4}
{0 CHEMBL2000071,1 3.177,2 1.22,3 3.041,4 1,5 8.35,6 3.137,7 2.764,8 3.374,9 2.471,10 5.927,11 3.109,12 3.482,13 0.084,14 0.008,15 14.222,16 3.367,17 2.944,18 167,19 3.115,20 268.35,21 3.836,22 3.248,23 357,24 4.874,25 11.004,26 13.786,27 80.595,28 12.943,29 4.687,30 169.362,31 232.59,32 5885,33 2.49,34 346.75,35 0.773,37 5.095,38 14.52,39 9.927,40 2.721,41 3.21,42 2.43,43 9.898,44 29.778,45 1,46 9616,47 74,48 6.621,49 4.988,50 596.009,51 5984.34,52 87.493,53 19.7,54 2.635,55 143.157,56 341.063,57 3.221,58 2.284,59 6.862,60 528,61 3.447,62 4.085,63 1.778,64 1.584,65 3.744,66 -0.183,67 -0.207,68 -0.165,69 -0.183,70 7.2}
{0 CHEMBL2000078,2 2.717,3 3.975,5 16.5,6 4.158,7 4.58,8 4.636,9 3.477,10 13.997,11 4.576,12 3.885,13 0.623,14 0.008,15 45.554,16 4.604,17 4.515,18 759,19 4.609,20 631.82,21 9.238,22 4.527,23 1688,24 9.452,25 26.166,26 31.65,27 180.452,28 30.36,29 15.437,30 453.244,31 541.78,32 60334,33 3.342,34 747.158,35 0.317,37 6.335,38 68.028,39 16.004,40 3.552,41 4.037,42 3.265,43 23.095,44 64.159,45 2.281,46 104805,47 288,48 16.121,49 16.642,50 4303.03,51 82583.3,52 270.69,53 40.241,54 6.948,55 318.59,56 769.12,57 4.058,58 3.373,59 7.535,60 5282,61 3.849,62 5.288,63 1.993,64 1.9,65 4.577,66 1.559,67 2.113,68 1.481,69 1.559,70 5.3}
{0 CHEMBL2000114,1 3.109,2 1.016,3 2.81,4 1,5 7.125,6 2.914,7 2.49,8 2.91,9 2.227,10 5.41,11 2.557,12 3.46,13 0.076,14 0.015,15 13.586,16 2.945,17 2.348,18 114,19 2.693,20 238.35,21 3.905,22 2.749,23 235,24 4.245,25 9.842,26 11.734,27 68.365,28 11.547,29 3.418,30 136.452,31 195.78,32 3415,33 2.118,34 310.416,35 1.001,37 4.758,38 9.625,39 8.064,40 2.565,41 2.977,42 1.962,43 8.421,44 25.879,45 0.361,46 5614,47 50,48 6.298,49 4.131,50 349.72,51 2998.2,52 64.005,53 16.066,54 2.438,55 122.502,56 290.664,57 3.025,58 1.845,59 6.843,60 272,61 3.237,62 3.691,63 1.601,64 1.491,65 3.508,66 -0.846,67 -1.094,68 -0.716,69 -0.846,70 6}
{0 CHEMBL2000335,2 2.031,3 3.584,5 12.536,6 3.775,7 3.436,8 3.651,9 3.04,10 7.663,11 3.57,12 3.809,13 0.242,14 0.011,15 17.062,16 3.609,17 3.456,18 351,19 3.515,20 389.52,21 5.074,22 3.526,23 768,24 7.375,25 16.301,26 20.027,27 114.657,28 18.541,29 6.595,30 226.801,31 332.08,32 17392,33 2.898,34 463.48,35 0.433,37 5.354,38 27.929,39 11.803,40 3.025,41 3.546,42 2.76,43 13.962,44 42.818,45 1.539,46 30121,47 114,48 9.624,49 5.867,50 1427.04,51 19567.8,52 143.114,53 27.201,54 3.915,55 199.533,56 478.621,57 3.585,58 2.87,59 6.862,60 1174,61 3.76,62 4.289,63 1.789,64 1.748,65 4.07,66 1,67 1.5,68 0.98,69 1,70 6}
{0 CHEMBL2000345,1 3.156,2 1.458,3 3.239,5 9.375,6 3.366,7 3.679,8 4.11,9 2.705,10 6.681,11 3.399,12 3.813,13 0.196,14 0.009,15 7.71,16 3.558,17 3.324,18 225,19 3.822,20 384.25,21 4.612,22 3.464,23 476,24 5.688,25 14.678,26 18.267,27 95.7,28 16.568,29 4.41,30 189.911,31 293.64,32 10744,33 2.829,34 423.16,35 0.667,37 5.422,38 18.444,39 10.694,40 3.005,41 3.359,42 2.72,43 12.089,44 39.199,45 1.523,46 19419,47 78,48 7.959,49 6.354,50 929.135,51 10807.1,52 113.305,53 23.187,54 3.333,55 172.268,56 412.093,57 3.374,58 2.614,59 6.843,60 800,61 3.492,62 3.987,63 1.669,64 1.592,65 3.905,66 0.378,67 0.599,68 0.345,69 0.378,70 7.4}
{0 CHEMBL2000354,2 1.754,3 3.382,5 10.652,6 3.525,7 3.192,8 3.628,9 2.914,10 6.898,11 3.129,12 3.765,13 0.167,14 0.01,15 10.193,16 3.264,17 3.071,18 245,19 3.424,20 326.4,21 4.695,22 3.238,23 522,24 6.166,25 13.132,26 16.587,27 91.11,28 15.654,29 3.993,30 177.24,31 286.9,32 10390,33 2.687,34 401.401,35 0.578,37 5.208,38 20.442,39 10.085,40 2.889,41 3.326,42 2.689,43 11.56,44 36.991,45 1.106,46 18673,47 83,48 7.688,49 4.678,50 891.795,51 10336.9,52 108.94,53 22.867,54 3.754,55 162.022,56 387.093,57 3.353,58 2.417,59 6.783,60 746,61 3.594,62 3.876,63 1.593,64 1.45,65 3.869,70 6.3}
{0 CHEMBL2000393,2 1.525,3 3.371,5 10.29,6 3.508,7 3.831,8 4.119,9 2.75,10 6.807,11 3.677,12 3.826,13 0.333,14 0.01,15 15.621,16 3.798,17 3.686,18 319,19 4.03,20 420.41,21 4.035,22 3.824,23 726,24 6.264,25 15.919,26 19.372,27 105.914,28 18.373,29 5.909,30 241.133,31 320.78,32 21448,33 2.833,34 416.349,35 0.474,37 5.792,38 25.819,39 13.264,40 3.175,41 3.574,42 2.754,43 14.293,44 39.398,45 1.947,46 42717,47 112,48 9.614,49 6.54,50 1631.12,51 21991.4,52 157.63,53 28.431,54 2.816,55 186.803,56 447.558,57 3.525,58 3.048,59 7.636,60 1500,61 3.693,62 4.481,63 1.779,64 1.718,65 4.195,66 1.338,67 1.684,68 1.282,69 1.338,70 5.6}
{0 CHEMBL2000408,2 1.523,3 3.319,5 10.813,6 3.529,7 4.041,8 4.296,9 2.827,10 8.441,11 4.117,12 3.78,13 0.565,14 0.014,15 33.991,16 4.226,17 4.026,18 346,19 4.225,20 438.53,21 5.83,22 4.183,23 734,24 6.438,25 18.318,26 21.303,27 118.112,28 22.103,29 11.697,30 288.192,31 373.95,32 20913,33 2.893,34 550.239,35 0.604,37 6.197,38 31.508,39 12.287,40 3.085,41 3.639,42 2.733,43 14.376,44 51.419,45 1.882,46 36546,47 148,48 10.182,49 10.606,50 1750.48,51 24625,52 164.748,53 29.219,54 4.448,55 219.705,56 527.841,57 3.638,58 3.091,59 7.081,60 1924,61 3.681,62 5.01,63 1.957,64 1.793,65 4.191,66 1.15,67 1.683,68 1.095,69 1.15,70 5.8}
{0 CHEMBL2000429,2 1.621,3 3.39,5 11.029,6 3.598,7 4.182,8 4.39,9 2.882,10 9.613,11 4.177,12 3.776,13 0.656,14 0.014,15 34.152,16 4.288,17 4.118,18 375,19 4.314,20 468.56,21 6.785,22 4.246,23 790,24 6.751,25 19.38,26 22.717,27 124.872,28 23.997,29 11.461,30 315.394,31 400.04,32 24666,33 2.867,34 593.13,35 0.593,37 6.223,38 36.225,39 12.347,40 3.213,41 3.689,42 2.733,43 15.376,44 56.356,45 1.831,46 43034,47 164,48 10.856,49 12.13,50 2018.48,51 29837.1,52 178.773,53 30.771,54 5.19,55 233.294,56 560.997,57 3.681,58 3.103,59 7.081,60 2306,61 3.675,62 5.031,63 1.928,64 1.786,65 4.25,66 1.258,67 1.793,68 1.187,69 1.258,70 5.7}
{0 CHEMBL2000481,2 2.213,3 3.739,5 14.03,6 3.935,7 3.787,8 3.995,9 3.23,10 9.549,11 3.767,12 3.824,13 0.377,14 0.012,15 24.473,16 3.94,17 3.681,18 463,19 3.827,20 463.56,21 6.562,22 3.83,23 996,24 8.148,25 18.225,26 23.674,27 123.931,28 22.679,29 8.441,30 278.399,31 401.31,32 28407,33 3.002,34 537.754,35 0.425,37 5.79,38 36.408,39 11.896,40 3.327,41 3.678,42 2.906,43 16.707,44 54.71,45 1.73,46 52942,47 168,48 11.562,49 9.736,50 2077.47,51 32064.8,52 177.649,53 31.066,54 4.961,55 227.779,56 547.542,57 3.701,58 2.967,60 1875,61 3.78,62 4.585,63 1.94,64 1.837,65 4.225,66 1.152,67 1.51,68 1.142,69 1.152,70 6.1}
{0 CHEMBL2000508,2 1.088,3 2.927,5 7.714,6 3.026,7 2.831,8 3.711,9 2.398,10 4.956,11 2.72,12 3.768,13 0.119,14 0.013,15 12.286,16 3.409,17 2.621,18 162,19 3.322,20 295.36,21 2.954,22 3.245,23 361,24 4.646,25 11.718,26 13.717,27 81.269,28 12.515,29 4.506,30 137.58,31 226.14,32 7219,33 2.623,34 311.461,35 0.735,37 4.925,38 13.986,39 11.014,40 2.687,41 3.257,42 2.483,43 10.387,44 27.746,45 1,46 13526,47 66,48 7.326,49 6.611,50 635.374,51 6513.98,52 92.245,53 20.259,54 2.112,55 141.04,56 335.897,57 3.288,58 2.339,59 7.535,60 558,61 3.697,62 3.739,63 1.6,64 1.482,65 3.806,66 0.24,67 0.343,68 0.208,69 0.24,70 6.7}
{0 CHEMBL2000568,1 3.063,2 1.136,3 2.925,4 1,5 7.222,6 3.012,7 2.44,8 3.018,9 2.281,10 4.208,11 2.658,12 3.378,13 0.118,14 0.015,15 8.416,16 2.992,17 2.539,18 130,19 2.806,20 236.29,21 2.543,22 2.89,23 282,24 4.539,25 9.974,26 12.535,27 70.479,28 10.879,29 2.979,30 140.452,31 207.95,32 4573,33 2.154,34 290.954,35 0.768,37 4.55,38 10.617,39 9.794,40 2.609,41 3.129,42 2.19,43 8.737,44 25.732,45 0.409,46 7619,47 40,48 5.784,49 3.581,50 460.808,51 4276.05,52 75.527,53 17.868,54 1.997,55 126.641,56 300.764,57 3.152,58 2.213,59 6.581,60 334,61 3.316,62 3.567,63 1.65,64 1.464,65 3.639,66 -0.754,67 -0.998,68 -0.754,69 -0.754,70 6.3}
{0 CHEMBL2000724,1 2.885,2 1.578,3 3.353,5 10.56,6 3.463,7 3.322,8 3.52,9 2.869,10 5.958,11 3.436,12 3.688,13 0.231,14 0.01,15 12.271,16 3.595,17 3.369,18 264,19 3.461,20 326.38,21 3.629,22 3.514,23 579,24 5.93,25 13.485,26 17.389,27 96.556,28 15.23,29 4.76,30 187.376,31 282.63,32 11813,33 2.687,34 398.794,35 0.563,37 5.332,38 20.576,39 12.097,40 3.01,41 3.422,42 2.698,43 12.152,44 35.954,45 1.174,46 21171,47 104,48 7.812,49 5.909,50 1038.93,51 12255.7,52 119.768,53 24.069,54 2.704,55 169.088,56 404.336,57 3.432,58 2.929,59 6.862,60 872,61 3.682,62 4.14,63 1.871,64 1.757,65 3.966,66 0.777,67 1.111,68 0.76,69 0.777,70 5.3}
{0 CHEMBL2000801,2 2.049,3 3.55,5 12.267,6 3.809,7 3.539,8 3.764,9 2.881,10 8.04,11 3.403,12 3.846,13 0.343,14 0.014,15 11.08,16 3.504,17 3.388,18 368,19 3.768,20 431.44,21 5.442,22 3.47,23 799,24 7.711,25 15.943,26 18.286,27 108.031,28 20.305,29 5.193,30 211.065,31 334.36,32 25221,33 2.808,34 439.872,35 0.422,37 5.453,38 30.333,39 11.918,40 3.256,41 3.54,42 2.735,43 13.141,44 47.439,45 1.528,46 52797,47 96,48 9.47,49 6.018,50 1656.9,51 24181.3,52 156.944,53 28.786,54 4.469,55 190.737,56 457.159,57 3.532,58 3.064,59 6.605,60 1414,61 3.781,62 4.131,63 1.876,64 1.777,65 4.132,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL2000832,2 2.665,3 3.801,5 14.472,6 4.008,7 4.021,8 4.109,9 3.295,10 9.917,11 4.057,12 3.853,13 0.419,14 0.01,15 25.042,16 4.105,17 4.007,18 521,19 4.134,20 483.53,21 6.529,22 4.072,23 1137,24 8.46,25 19.263,26 24.363,27 133.341,28 23.704,29 10.163,30 323.008,31 424.83,32 34895,33 2.999,34 568.997,35 0.388,37 6.005,38 49.198,39 13.047,40 3.245,41 3.768,42 2.929,43 17.012,44 54.681,45 1.983,46 65105,47 180,48 11.176,49 9.991,50 2525.09,51 40774.5,52 198.083,53 33.281,54 5.025,55 238.972,56 574.85,57 3.763,58 3.438,59 5.38,60 2386,61 3.83,62 4.807,63 1.976,64 1.883,65 4.322,66 1.426,67 1.963,68 1.399,69 1.426,70 6.7}
{0 CHEMBL2000894,2 1.358,3 3.204,5 9.379,6 3.347,7 3.82,8 4.091,9 2.66,10 7.51,11 3.913,12 3.747,13 0.451,14 0.013,15 25.74,16 4.069,17 3.853,18 272,19 4.049,20 386.44,21 4.888,22 4.029,23 582,24 5.769,25 15.586,26 20.543,27 110.303,28 18.875,29 9.209,30 244.311,31 345.71,32 15989,33 2.737,34 471.398,35 0.659,37 6.067,38 26.193,39 11.244,40 3.048,41 3.548,42 2.735,43 13.99,44 44.211,45 1.529,46 28916,47 109,48 8.901,49 9.53,50 1358.73,51 17619.1,52 143.389,53 26.763,54 3.399,55 196.266,56 470.648,57 3.547,58 2.898,60 1351,61 3.69,62 4.781,63 1.855,64 1.756,65 4.103,66 1,67 1.5,68 0.983,69 1,70 5.7}
{0 CHEMBL2000934,2 1.538,3 3.361,5 10.385,6 3.533,7 3.404,8 3.644,9 2.749,10 7.207,11 3.42,12 3.528,13 0.23,14 0.01,15 14.822,16 3.457,17 3.38,18 270,19 3.652,20 360.37,21 4.989,22 3.446,23 569,24 6.37,25 13.762,26 16.234,27 89.813,28 18,29 5.409,30 206.15,31 297.42,32 14881,33 2.64,34 407.162,35 0.59,37 5.473,38 20.923,39 10.536,40 3.052,41 3.386,42 2.531,43 11.152,44 44.409,45 1.189,46 28407,47 88,48 7.865,49 4.959,50 1148.29,51 14532.3,52 127.692,53 25.099,54 4.251,55 169.674,56 405.764,57 3.362,58 2.833,60 964,61 3.484,62 4.228,63 1.82,64 1.598,65 3.982,66 0.52,67 0.592,68 0.516,69 0.52,70 5.3}
{0 CHEMBL2001019,2 1.898,3 3.556,5 12.036,6 3.683,7 3.593,8 3.75,9 3.071,10 6.986,11 3.531,12 3.842,13 0.204,14 0.007,15 14.036,16 3.609,17 3.511,18 337,19 3.737,20 372.43,21 4.188,22 3.6,23 756,24 6.825,25 14.842,26 18.924,27 102.785,28 16.784,29 4.341,30 234.215,31 288.71,32 17055,33 2.76,34 428.084,35 0.435,37 5.428,38 27.459,39 13.329,40 3.107,41 3.487,42 2.695,43 13.797,44 37.757,45 1.42,46 30998,47 130,48 8.836,49 4.612,50 1392.28,51 18370.5,52 141.181,53 26.87,54 3.225,55 182.207,56 436.346,57 3.466,58 2.768,59 7.402,60 1264,61 3.651,62 4.277,63 1.798,64 1.593,65 4.091,66 0.963,67 1.168,68 0.892,69 0.963,70 5.3}
{0 CHEMBL2001149,1 6.582,2 2.534,3 3.891,5 15.455,6 4.073,7 3.748,8 3.921,9 3.347,10 8.086,11 3.734,12 3.997,13 0.156,14 0.005,15 18.011,16 3.947,17 3.623,18 510,19 3.824,20 450.55,21 4.917,22 3.797,23 1166,24 8.885,25 18.097,26 22.717,27 129.178,28 20.065,29 7.64,30 223.294,31 361.93,32 30226,33 2.812,34 504.896,35 0.297,37 5.485,38 40.937,39 15.136,40 3.288,41 3.722,42 2.779,43 16.511,44 43.768,45 1.559,46 56034,47 154,48 11.185,49 9.596,50 2150.72,51 34307,52 179.975,53 31.565,54 4.003,55 221.128,56 531.312,57 3.746,58 3.151,59 7.535,60 1920,61 3.861,62 4.386,63 1.978,64 1.899,65 4.255,66 1.306,67 1.88,68 1.218,69 1.306,70 5.3}
{0 CHEMBL2001224,2 1.615,3 3.409,5 11,6 3.578,7 3.787,8 3.885,9 2.888,10 8.353,11 3.719,12 3.712,13 0.286,14 0.011,15 31.131,16 3.854,17 3.613,18 286,19 3.838,20 371.86,21 5.924,22 3.751,23 607,24 6.477,25 15.007,26 19.018,27 96.578,28 18.441,29 8.122,30 215.46,31 325.11,32 14026,33 2.697,34 460.942,35 0.583,37 5.87,38 24.183,39 9.393,40 3.099,41 3.423,42 2.671,43 12.835,44 44.292,45 1.57,46 25052,47 118,48 8.697,49 8.674,50 1162.84,51 14815.1,52 128.063,53 25.283,54 4.855,55 185.203,56 443.654,57 3.427,58 2.871,59 6.26,60 1110,61 3.681,62 4.635,63 1.829,64 1.577,65 3.983,66 0.618,67 0.715,68 0.58,69 0.618,70 5}
{0 CHEMBL2001228,2 2.568,3 3.908,5 15.841,6 4.1,7 4.489,8 4.753,9 3.383,10 12.522,11 4.413,12 3.912,13 0.525,14 0.008,15 40.764,16 4.521,17 4.346,18 697,19 4.68,20 626.16,21 8.172,22 4.448,23 1559,24 9.076,25 24.778,26 30.028,27 169.713,28 28.716,29 13.304,30 386.733,31 502.37,32 57218,33 3.314,34 678.048,35 0.325,37 6.223,38 61.192,39 16.117,40 3.552,41 3.967,42 3.048,43 21.879,44 60.129,45 2.244,46 107319,47 266,48 15.143,49 14.676,50 3879.04,51 71249.2,52 255.031,53 38.753,54 5.906,55 295.348,56 712.409,57 3.979,58 3.323,59 7.535,60 4594,61 3.851,62 5.093,63 1.962,64 1.875,65 4.532,66 1.431,67 2.081,68 1.373,69 1.431,70 5.3}
{0 CHEMBL2001239,2 1.453,3 3.271,5 9.7,6 3.505,7 4.15,8 4.149,9 2.553,10 8.838,11 3.755,12 3.744,13 0.575,14 0.014,15 21.755,16 3.874,17 3.796,18 291,19 4.25,20 438.83,21 6.416,22 3.898,23 602,24 6.542,25 15.791,26 19.889,27 106.195,28 21.779,29 7.12,30 223.46,31 340.78,32 22808,33 2.786,34 476.731,35 0.649,37 6.156,38 30.8,39 10.273,40 3.132,41 3.471,42 2.621,43 13.207,44 54.802,45 1.822,46 48806,47 112,48 8.694,49 8.209,50 1524.79,51 21556.3,52 153.062,53 28.078,54 5.583,55 192.664,56 461.86,57 3.419,58 3.117,60 1532,61 3.512,62 4.66,63 1.708,64 1.631,65 4.115,66 1,67 1.5,68 1,69 1,70 6.3}
{0 CHEMBL2001257,2 2.684,3 3.869,5 15.314,6 4.093,7 4.03,8 4.056,9 3.386,10 11.463,11 4.207,12 3.805,13 0.428,14 0.01,15 33.332,16 4.154,17 4.059,18 536,19 4.033,20 483.69,21 8.147,22 4.049,23 1137,24 8.933,25 21,26 25.139,27 147.412,28 24.877,29 12.574,30 332.98,31 447.9,32 30062,33 3.04,34 627.067,35 0.403,37 5.818,38 51.086,39 13.102,40 3.382,41 3.785,42 3.1,43 17.432,44 59.822,45 1.996,46 48168,47 179,48 12.481,49 9.76,50 2435.13,51 40165.4,52 193.362,53 32.929,54 6.069,55 260.825,56 628.173,57 3.839,58 3.196,59 6.88,60 2525,61 3.788,62 4.845,63 1.95,64 1.843,65 4.283,66 1.181,67 1.729,68 1.178,69 1.181,70 5.9}
{0 CHEMBL2001288,2 0.98,3 2.861,5 7.15,6 2.937,7 3.332,8 4.14,9 2.228,10 5.227,11 2.8,12 3.718,13 0.078,14 0.011,15 36.444,16 3.221,17 2.576,18 143,19 3.858,20 393.17,21 3.713,22 3.044,23 303,24 4.393,25 12.245,26 15.939,27 77.403,28 14.208,29 5.282,30 154,31 227.56,32 6604,33 2.438,34 379.603,35 0.901,37 5.092,38 12.12,39 8.863,40 2.861,41 3.118,42 2.09,43 10.407,44 29.727,45 1.209,46 13142,47 54,48 6.888,49 6.612,50 558.062,51 5470.59,52 85.768,53 19.156,54 2.169,55 140.345,56 334.203,57 3.107,58 2.48,59 7.719,60 444,61 3.415,62 3.722,63 1.616,64 1.48,65 3.728,66 -0.289,67 -0.348,68 -0.108,69 -0.289,70 5}
{0 CHEMBL2001477,2 1.376,3 3.202,5 9.217,6 3.335,7 3.411,8 3.501,9 2.682,10 6.97,11 3.59,12 3.697,13 0.193,14 0.008,15 17.036,16 3.666,17 3.499,18 212,19 3.544,20 303.39,21 4.577,22 3.588,23 453,24 5.641,25 12.568,26 16.071,27 92.424,28 15.104,29 6.386,30 188.122,31 282.87,32 9022,33 2.687,34 392.801,35 0.653,37 5.594,38 19.433,39 9.866,40 2.701,41 3.36,42 2.721,43 11.237,44 36.659,45 1,46 15101,47 78,48 7.359,49 6.497,50 843.774,51 9728.27,52 107.429,53 22.579,54 3.694,55 165.95,56 396.678,57 3.389,58 2.473,60 806,61 3.642,62 4.364,63 1.834,64 1.72,65 3.873,66 0.614,67 0.733,68 0.585,69 0.614,70 5.4}
{0 CHEMBL2001485,2 2.777,3 3.981,5 16.692,6 4.177,7 4.194,8 4.208,9 3.528,10 11.166,11 4.251,12 3.884,13 0.521,14 0.011,15 36.871,16 4.279,17 4.146,18 651,19 4.188,20 539.72,21 7.687,22 4.173,23 1405,24 9.41,25 22.913,26 28.035,27 156.799,28 26.851,29 12.595,30 358.928,31 470.09,32 41774,33 3.115,34 664.226,35 0.357,37 6.052,38 59.813,39 14.072,40 3.424,41 3.863,42 3.082,43 19.161,44 61.831,45 2.238,46 71740,47 252,48 13.254,49 12.054,50 3095.37,51 54424.2,52 221.751,53 35.771,54 5.675,55 277.681,56 669.302,57 3.896,58 3.36,59 7.445,60 3319,61 3.811,62 4.964,63 1.91,64 1.847,65 4.392,66 1.541,67 2.033,68 1.48,69 1.541,70 6.9}
{0 CHEMBL2001539,1 3.057,2 0.556,3 2.246,5 4.167,6 2.184,8 0.437,9 1.459,10 2.346,12 3.087,16 0.135,18 50,19 0.007,20 176.26,21 1.309,22 0.067,23 114,24 2.834,25 7.318,26 8.32,27 51.822,28 6.695,30 82.439,31 135.33,32 1445,33 1.266,34 188.73,35 1.297,38 3.333,39 7.845,40 1.99,41 2.804,42 1.33,43 6.404,44 14.75,45 -0.895,46 2286,47 12,48 4.919,49 0.134,50 144.169,51 1001.08,52 40.003,53 11.575,54 0.875,55 87.931,56 206.312,57 2.881,58 1.506,59 7.298,60 76,61 3.076,63 1.371,64 1.269,65 3.27,66 -1.618,67 -2.427,68 -1.53,69 -1.618,70 4.4}
{0 CHEMBL2001547,2 1.44,3 3.268,5 10.129,6 3.48,7 3.993,8 4.242,9 2.719,10 8.201,11 4.045,12 3.771,13 0.512,14 0.013,15 31.505,16 4.163,17 3.965,18 314,19 4.187,20 424.5,21 5.593,22 4.124,23 666,24 6.246,25 17.395,26 20.433,27 113.578,28 21.14,29 10.559,30 277.315,31 356.65,32 19356,33 2.864,34 526.697,35 0.619,37 6.157,38 29.798,39 12.216,40 3.131,41 3.598,42 2.733,43 13.96,44 48.952,45 1.491,46 34283,47 125,48 9.876,49 10.31,50 1618.02,51 22220.4,52 157.7,53 28.422,54 4.351,55 210.113,56 504.435,57 3.59,58 3.079,59 7.081,60 1759,61 3.642,62 4.943,63 1.939,64 1.756,65 4.163,66 1.1,67 1.626,68 1.046,69 1.1,70 5.6}
{0 CHEMBL2001584,2 2.942,3 4.034,5 17.364,6 4.25,7 4.299,8 4.454,9 3.537,10 13.247,11 4.412,12 3.871,13 0.608,14 0.011,15 45.995,16 4.482,17 4.344,18 764,19 4.426,20 595.76,21 9.423,22 4.425,23 1642,24 9.921,25 25.386,26 31.432,27 171.619,28 31.3,29 14.214,30 439.489,31 564.25,32 55220,33 3.159,34 790.585,35 0.356,37 6.502,38 68.027,39 12.76,40 3.492,41 3.988,42 3.04,43 21.045,44 74.204,45 2.174,46 92690,47 280,48 14.507,49 14.911,50 4020.71,51 76772.4,52 258.36,53 39.26,54 7.171,55 312.912,56 755.266,57 4.004,58 3.437,60 4678,61 3.8,62 5.283,63 1.969,64 1.865,65 4.507,66 1.542,67 2.088,68 1.511,69 1.542,70 5.3}
{0 CHEMBL2001613,1 2.489,2 0.661,3 2.241,5 4.273,6 2.185,8 0.846,9 1.495,10 2.411,12 3.197,16 0.135,18 47,19 0.007,20 213.04,21 1.529,22 0.067,23 99,24 2.809,25 7.09,26 8.845,27 44.394,28 6.975,30 64,31 122.65,32 1400,33 0.967,34 193.478,35 1.49,38 3.405,39 7.36,40 2.115,41 2.586,42 1.067,43 5.848,44 15.093,45 -1.205,46 2586,47 15,48 3.891,49 0.153,50 120.165,51 787.093,52 35.454,53 10.65,54 1.092,55 80.919,56 189.203,57 2.594,58 0.571,59 6.804,60 71,61 2.837,63 1.039,64 0.937,65 3.148,66 -1.906,67 -2.841,68 -1.814,69 -1.906,70 4.7}
{0 CHEMBL2001641,1 2.892,2 1.198,3 2.899,5 7.278,6 3.028,7 2.47,8 3.018,9 2.261,10 3.817,11 2.809,12 3.396,13 0.178,14 0.022,15 10.399,16 2.964,17 2.647,18 131,19 2.84,20 243.3,21 2.382,22 2.883,23 283,24 4.6,25 10.123,26 12.751,27 69.798,28 11.233,29 3.591,30 136.07,31 194.33,32 4712,33 2.154,34 314.876,35 0.759,37 4.616,38 11.111,39 9.441,40 2.499,41 3.069,42 1.993,43 8.538,44 25.814,45 0.394,46 7909,47 36,48 5.626,49 3.088,50 463.267,51 4297.35,52 75.643,53 17.876,54 2.008,55 124.102,56 294.568,57 3.061,58 2.153,59 7.298,60 324,61 3.282,62 3.751,63 1.469,64 1.318,65 3.631,66 -0.913,67 -1,68 -0.857,69 -0.913,70 4.4}
{0 CHEMBL2001668,2 1.087,3 2.756,5 6.529,6 2.847,7 2.888,8 3.596,9 2.184,10 4.178,11 2.556,12 3.736,13 0.05,14 0.013,15 26.686,16 3.042,17 2.202,18 111,19 3.537,20 337.13,21 2.662,22 2.765,23 241,24 4.132,25 10.88,26 13.328,27 72.116,28 10.83,29 4.363,30 105.342,31 205.87,32 4252,33 2.083,34 280.702,35 0.876,37 4.26,38 9.626,39 8.949,40 2.687,41 3.027,42 2.023,43 9.12,44 23.648,45 0.909,46 7793,47 38,48 6.151,49 4.727,50 387.227,51 3411.86,52 68.823,53 16.763,54 1.861,55 125.171,56 297.176,57 3.081,58 2,59 6.88,60 261,61 3.46,62 3.143,63 1.445,64 1.339,65 3.585,66 -1,67 -1.19,68 -0.679,69 -1,70 5}
{0 CHEMBL2001751,1 3.287,2 2.352,3 3.838,4 1,5 14.833,6 4.04,7 3.94,8 4.13,9 3.274,10 9.591,11 4.045,12 3.843,13 0.286,14 0.007,15 26.369,16 4.14,17 3.969,18 534,19 3.998,20 476.57,21 5.994,22 4.057,23 1208,24 8.728,25 19.401,26 24.485,27 137.858,28 22.5,29 10.25,30 346.413,31 415.01,32 34295,33 2.922,34 554.599,35 0.32,37 5.86,38 43.676,39 14.349,40 3.347,41 3.805,42 2.876,43 17.636,44 49.295,45 1.905,46 60587,47 178,48 11.737,49 11.463,50 2545.19,51 42262.1,52 199.567,53 33.517,54 4.653,55 242.77,56 584.12,57 3.811,58 3.245,59 7.847,60 2534,61 3.763,62 4.8,63 1.889,64 1.741,65 4.335,66 1.434,67 2.015,68 1.371,69 1.434,70 8.4}
{0 CHEMBL2001920,2 0.926,3 2.712,5 6.333,6 2.78,7 3.118,8 4.077,9 2.135,10 4.366,11 2.093,12 3.869,13 0.02,14 0.01,15 18.058,16 2.645,17 1.678,18 114,19 3.537,20 341.22,21 2.96,22 2.447,23 244,24 4.016,25 11.962,26 14.715,27 78.272,28 12.203,29 2.265,30 104.042,31 228.28,32 5359,33 2.423,34 296.562,35 0.966,37 3.664,38 9.778,39 8.613,40 2.896,41 3.068,42 1.81,43 9.833,44 25.487,45 0.876,46 11349,47 41,48 6.965,49 3.187,50 425.275,51 3889.18,52 73.706,53 17.368,54 2.017,55 129.371,56 307.425,57 3.123,58 2.573,59 7.609,60 344,61 3.263,62 2.358,63 1.255,64 1.264,65 3.63,66 -0.676,67 -0.908,68 -0.507,69 -0.676,70 6.2}
{0 CHEMBL2001923,2 3.503,3 4.24,4 1,5 20.46,6 4.476,7 4.551,8 4.532,9 3.752,10 13.737,11 4.511,12 3.902,13 0.779,14 0.011,15 37.216,16 4.562,17 4.481,18 1023,19 4.551,20 675.76,21 8.859,22 4.522,23 2307,24 11.502,25 26.888,26 31.581,27 185.299,28 32.243,29 15.061,30 474.564,31 573.68,32 90641,33 3.291,34 744.934,35 0.24,37 6.501,38 92.853,39 16.891,40 3.565,41 4.109,42 3.204,43 23.175,44 67.6,45 2.592,46 169376,47 400,48 16.37,49 16.779,50 5482.49,51 117780,52 306.747,53 43.794,54 6.667,55 325.514,56 786.013,57 4.105,58 3.471,59 7.222,60 6522,61 3.849,62 5.233,63 2.008,64 1.912,65 4.662,66 1.879,67 2.578,68 1.732,69 1.879,70 5.3}
{0 CHEMBL2001957,2 1.789,3 3.476,5 11.629,6 3.685,7 4.179,8 4.451,9 2.929,10 9.767,11 4.094,12 3.776,13 0.685,14 0.015,15 30.563,16 4.207,17 4.066,18 407,19 4.349,20 490.51,21 6.932,22 4.211,23 854,24 7.117,25 18.844,26 21.847,27 120.939,28 24.839,29 10.729,30 296.21,31 394.88,32 30663,33 2.894,34 571.022,35 0.563,37 6.232,38 41.404,39 12.261,40 3.233,41 3.67,42 2.735,43 15.02,44 58.972,45 1.559,46 59711,47 172,48 10.569,49 11.126,50 2192.45,51 33534.6,52 186.758,53 31.705,54 5.87,55 226.098,56 543.439,57 3.632,58 3.287,59 7.081,60 2556,61 3.675,62 4.986,63 1.913,64 1.784,65 4.278,66 1.129,67 1.656,68 1.056,69 1.129,70 5.1}
{0 CHEMBL2001987,2 1.467,3 3.273,5 9.808,6 3.472,7 3.415,8 3.623,9 2.643,10 6.757,11 3.17,12 3.507,13 0.255,14 0.011,15 7.052,16 3.145,17 3.217,18 255,19 3.642,20 368.29,21 4.645,22 3.23,23 538,24 6.213,25 12.734,26 14.656,27 80.604,28 17.874,29 3.835,30 170.77,31 274.96,32 16553,33 2.542,34 360.677,35 0.611,37 5.438,38 19.692,39 10.571,40 3.042,41 3.305,42 2.525,43 10.22,44 44.413,45 1.294,46 36635,47 76,48 7.105,49 3.546,50 1128.31,51 14197.3,52 127.11,53 24.964,54 3.854,55 152.886,56 364.801,57 3.226,58 2.902,60 932,61 3.38,62 3.906,63 1.617,64 1.473,65 3.979,66 0.227,67 0.285,68 0.197,69 0.227,70 5.3}
{0 CHEMBL2002099,1 3.103,2 1.338,3 3.049,4 1,5 8.217,6 3.233,7 3.265,8 3.475,9 2.392,10 6.043,11 3.408,12 3.661,13 0.136,14 0.006,15 11.964,16 3.392,17 3.326,18 189,19 3.14,20 306.41,21 3.749,22 3.28,23 419,24 5.368,25 12.813,26 15.648,27 87.719,28 14.267,29 4.393,30 197.66,31 265.4,32 8528,33 2.583,34 384.706,35 0.606,37 5.073,38 17.149,39 10.256,40 2.871,41 3.361,42 2.544,43 11.365,44 31.766,45 1.107,46 13930,47 62,48 8.061,49 4.675,50 817.862,51 9238.71,52 106.314,53 22.279,54 2.59,55 161.613,56 386.096,57 3.379,58 2.479,59 7.609,60 634,61 3.603,62 4.06,63 1.86,64 1.577,65 3.888,66 0.618,67 0.652,68 0.618,69 0.618,70 5.35}
{0 CHEMBL2002105,1 2.648,2 0.661,3 2.241,5 4.273,6 2.185,8 1.082,9 1.495,10 2.375,12 3.181,16 0.255,18 47,19 0.014,20 213.05,21 1.493,22 0.13,23 99,24 2.809,25 7.09,26 8.845,27 43.753,28 6.914,30 62,31 118.56,32 1390,33 0.655,34 180.7,35 1.49,38 3.405,39 7.36,40 2.126,41 2.548,42 0.497,43 5.848,44 15.093,45 -1.238,46 2516,47 15,48 3.816,49 0.286,50 120.165,51 787.093,52 35.454,53 10.65,54 1.072,55 80.919,56 189.203,57 2.543,58 0.565,59 6.804,60 71,61 2.637,63 1.06,64 0.951,65 3.148,66 -1.906,67 -2.841,68 -1.784,69 -1.906,70 4.1}
{0 CHEMBL2002165,2 2.571,3 3.864,5 15.278,6 4.074,7 4.084,8 4.139,9 3.398,10 10.25,11 4.104,12 3.879,13 0.395,14 0.009,15 27.536,16 4.106,17 4.005,18 550,19 4.042,20 502.62,21 6.897,22 4.018,23 1198,24 8.815,25 20.09,26 24.717,27 140.416,28 24.224,29 10.983,30 323.566,31 415.9,32 36034,33 2.993,34 588.921,35 0.366,37 5.931,38 50.25,39 13.738,40 3.379,41 3.769,42 2.869,43 17.428,44 54.779,45 2.162,46 66752,47 188,48 12.057,49 9.96,50 2566.87,51 42347.1,52 199.473,53 33.496,54 5.375,55 246.236,56 592.575,57 3.787,58 3.257,59 7.434,60 2634,61 3.803,62 4.795,63 1.907,64 1.844,65 4.319,66 1.34,67 1.799,68 1.288,69 1.34,70 7}
{0 CHEMBL2002240,2 1.236,3 3.084,5 8.565,6 3.216,7 3.236,8 3.589,9 2.496,10 5.98,11 3.366,12 3.475,13 0.177,14 0.009,15 13.569,16 3.546,17 3.278,18 197,19 3.453,20 302.36,21 3.866,22 3.484,23 416,24 5.211,25 12.499,26 16.397,27 88.949,28 14.867,29 5.14,30 175.24,31 273.93,32 8764,33 2.621,34 378.68,35 0.751,37 5.555,38 17.376,39 10.728,40 2.943,41 3.324,42 2.532,43 11.08,44 36.579,45 1.357,46 15166,47 69,48 7.056,49 5.382,50 813.704,51 9044.8,52 105.725,53 22.132,54 2.951,55 160.224,56 382.708,57 3.336,58 2.618,60 741,61 3.383,62 4.165,63 1.709,64 1.486,65 3.869,66 -0.109,67 -0.16,68 -0.102,69 -0.109,70 5.1}
{0 CHEMBL2002373,2 1.211,3 2.945,5 7.571,6 3.068,7 2.926,8 3.557,9 2.429,10 6.443,11 3.344,12 3.626,13 0.098,14 0.008,15 18.789,16 3.673,17 3.158,18 159,19 3.261,20 279.37,21 4.199,22 3.504,23 338,24 4.823,25 11.684,26 14.493,27 82.688,28 13.686,29 6.725,30 174.666,31 253.55,32 6416,33 2.627,34 376.063,35 0.809,37 5.297,38 15.905,39 9.633,40 2.687,41 3.274,42 2.528,43 10.398,44 31.801,45 1,46 10407,47 72,48 7.017,49 8.057,50 644.234,51 6788.02,52 93.037,53 20.446,54 2.919,55 152.62,56 364.153,57 3.299,58 2.326,59 6.843,60 630,61 3.544,62 4.353,63 1.872,64 1.648,65 3.789,66 0.25,67 0.272,68 0.225,69 0.25,70 5.7}
{0 CHEMBL2002446,1 3.315,2 2.782,3 3.892,5 15.606,6 4.075,7 3.949,8 3.969,9 3.389,10 9.253,11 4.131,12 3.779,13 0.274,14 0.008,15 30.691,16 4.125,17 3.968,18 515,19 3.932,20 458.68,21 6.003,22 3.981,23 1167,24 8.731,25 20.01,26 22.554,27 138.702,28 21.407,29 11.716,30 325.814,31 416.34,32 25295,33 2.921,34 561.342,35 0.319,37 5.578,38 50.25,39 12.781,40 3.361,41 3.791,42 2.941,43 16.68,44 43.557,45 2.006,46 39486,47 195,48 12.865,49 11.159,50 2151.78,51 33872.3,52 179.194,53 31.593,54 4.892,55 241.361,56 580.681,57 3.847,58 3.216,59 8.295,60 2206,61 3.795,62 4.768,63 1.775,64 1.688,65 4.247,66 1.117,67 1.572,68 1.082,69 1.117,70 6.1}
{0 CHEMBL2002456,1 2.954,2 1.111,3 2.866,5 7.333,6 3.01,7 2.802,8 3.651,9 2.258,10 5.044,11 3.359,12 3.558,13 0.128,14 0.012,15 20.441,16 3.639,17 3.121,18 154,19 3.273,20 282.38,21 3.338,22 3.501,23 326,24 4.68,25 12.344,26 15.035,27 84.333,28 13.897,29 6.832,30 162.846,31 249.89,32 6142,33 2.499,34 371.71,35 0.832,37 5.168,38 14.163,39 9.844,40 2.687,41 3.271,42 2.618,43 9.938,44 31.875,45 0.918,46 9587,47 57,48 6.809,49 5.612,50 632.187,51 6585.15,52 92.492,53 20.241,54 2.856,55 152.749,56 364.468,57 3.29,58 2.558,59 6.823,60 513,61 3.536,62 4.41,63 1.815,64 1.654,65 3.778,66 -0.425,67 -0.543,68 -0.41,69 -0.425,70 6.6}
{0 CHEMBL2002479,2 2.074,3 3.684,5 13.656,6 3.876,7 3.838,8 3.972,9 3.233,10 8.922,11 3.929,12 3.78,13 0.328,14 0.01,15 25.312,16 4.018,17 3.823,18 437,19 3.868,20 448.94,21 5.849,22 3.924,23 967,24 7.781,25 17.908,26 22.579,27 121.934,28 20.976,29 9.608,30 283.58,31 374.9,32 25317,33 2.924,34 507.758,35 0.396,37 5.728,38 36.648,39 12.869,40 3.297,41 3.67,42 2.775,43 15.89,44 45.893,45 1.818,46 46373,47 159,48 10.699,49 9.615,50 1922.27,51 28624.1,52 169.8,53 30.215,54 4.388,55 219.317,56 526.894,57 3.671,58 3.109,59 7.516,60 1828,61 3.739,62 4.719,63 1.905,64 1.772,65 4.213,66 1.245,67 1.635,68 1.207,69 1.245,70 5.6}
{0 CHEMBL2002480,2 1.078,3 2.845,5 6.938,6 2.889,7 1.884,8 2.69,9 2.281,10 3.488,11 2.045,12 3.268,13 0.037,14 0.009,15 3.219,16 2.435,17 1.962,18 111,19 2.394,20 211.25,21 1.997,22 2.384,23 245,24 4.146,25 8.408,26 10.958,27 62.942,28 9.158,29 0.952,30 103.342,31 165.6,32 3479,33 1.734,34 241.726,35 0.824,37 4.031,38 8.594,39 9.42,40 2.687,41 2.938,42 1.59,43 7.826,44 21.835,45 -0.347,46 5864,47 34,48 4.861,49 1.517,50 346.721,51 2907.23,52 63.653,53 16.007,54 1.619,55 107.586,56 254.269,57 2.919,58 2.128,59 6.804,60 230,61 3.162,62 2.864,63 1.436,64 1.301,65 3.533,66 -1,67 -1.408,68 -0.931,69 -1,70 4.3}
{0 CHEMBL2002553,2 0.806,3 2.39,5 4.929,6 2.449,7 0.021,8 2.686,9 1.835,10 3.17,11 0.361,12 3.094,15 1.878,16 1.313,17 0.189,18 69,19 0.742,20 210.23,21 2.114,22 1.136,23 142,24 3.323,25 7.999,26 10.646,27 51.111,28 9.339,29 0.36,30 81.684,31 154.12,32 2630,33 1.785,34 248.024,35 1.338,37 1.386,38 6,39 7.943,40 2.122,41 2.769,42 1.371,43 7.063,44 21.128,45 -0.232,46 5073,47 22,48 4.556,49 1.376,50 222.823,51 1730.78,52 51.056,53 13.582,54 1.372,55 94.794,56 223.056,57 2.759,58 1.734,59 6.823,60 140,61 2.947,62 1.298,63 1.102,64 1.12,65 3.367,66 -1.403,67 -1.806,68 -1.303,69 -1.403,70 5}
{0 CHEMBL2002586,2 1.742,3 3.43,5 11.037,6 3.603,7 3.701,8 3.95,9 2.894,10 7.51,11 3.655,12 3.746,13 0.181,14 0.007,15 21.74,16 3.74,17 3.513,18 298,19 3.672,20 401.96,21 4.901,22 3.608,23 679,24 6.577,25 16.315,26 19.071,27 112.093,28 17.619,29 7.276,30 229.066,31 321.79,32 14873,33 2.866,34 446.173,35 0.439,37 5.216,38 24.881,39 10.833,40 3.262,41 3.537,42 2.783,43 14.002,44 35.859,45 1.369,46 26144,47 102,48 10.429,49 7.117,50 1264.69,51 16294.4,52 134.275,53 26.055,54 4.039,55 192.998,56 462.674,57 3.574,58 2.935,59 7.576,60 1060,61 3.735,62 4.339,63 1.787,64 1.624,65 4.046,66 1,67 1.103,68 0.925,69 1,70 5.3}
{0 CHEMBL2002599,2 1.816,3 3.489,5 11.429,6 3.63,7 3.714,8 3.826,9 2.937,10 7.342,11 3.769,12 3.789,13 0.145,14 0.005,15 20.374,16 3.83,17 3.707,18 320,19 3.767,20 376.46,21 4.55,22 3.771,23 723,24 6.659,25 15.207,26 18.924,27 103.475,28 17.352,29 6.864,30 242.078,31 319.88,32 16242,33 2.763,34 441.852,35 0.446,37 5.561,38 26.663,39 11.283,40 3.018,41 3.53,42 2.798,43 13.759,44 37.669,45 1.519,46 28625,47 116,48 9.316,49 7.097,50 1372.05,51 18081,52 140.714,53 26.833,54 3.544,55 188.062,56 450.631,57 3.521,58 2.839,59 7.391,60 1300,61 3.638,62 4.557,63 1.837,64 1.64,65 4.09,66 1,67 1.414,68 0.915,69 1,70 5.3}
{0 CHEMBL2002613,1 2.902,2 2.36,3 3.753,5 13.882,6 3.939,7 3.927,8 4.064,9 3.235,10 9.574,11 3.948,12 3.884,13 0.303,14 0.007,15 23.116,16 3.991,17 3.897,18 472,19 3.985,20 454.53,21 6.191,22 3.947,23 1034,24 8.126,25 18.649,26 23.493,27 129.082,28 21.985,29 8.586,30 286.947,31 382.81,32 28830,33 2.926,34 540.592,35 0.387,37 5.769,38 41.436,39 13.499,40 3.192,41 3.696,42 2.918,43 16.623,44 50.125,45 1.816,46 51143,47 174,48 10.597,49 8.454,50 2209.84,51 34563.2,52 184.089,53 31.789,54 4.778,55 228.31,56 548.837,57 3.687,58 3.127,59 7.402,60 2226,61 3.842,62 4.687,63 1.967,64 1.885,65 4.269,66 1.237,67 1.744,68 1.211,69 1.237,70 5.3}
{0 CHEMBL2002649,1 2.853,2 1.068,3 2.854,5 7.056,6 2.949,7 2.281,8 3.201,9 2.261,10 4.312,11 2.447,12 3.424,13 0.041,14 0.007,15 9.058,16 2.868,17 2.334,18 127,19 2.725,20 241.27,21 2.647,22 2.783,23 274,24 4.386,25 9.728,26 12.535,27 66.997,28 11.05,29 2.651,30 136.127,31 206.68,32 4720,33 2.208,34 281.953,35 0.832,37 4.555,38 11.432,39 9.1,40 2.571,41 3.066,42 2.163,43 8.775,44 25.603,45 0.618,46 8256,47 47,48 5.48,49 2.919,50 451.237,51 4179.62,52 75.018,53 17.768,54 1.945,55 121.174,56 287.425,57 3.045,58 2.171,59 7.402,60 358,61 3.291,62 3.542,63 1.567,64 1.375,65 3.637,66 -0.627,67 -0.812,68 -0.623,69 -0.627,70 7.3}
{0 CHEMBL2002660,2 2.102,3 3.671,5 13.595,6 3.868,7 4.208,8 4.264,9 3.189,10 11.263,11 4.383,12 3.786,13 0.684,14 0.013,15 42.906,16 4.377,17 4.297,18 503,19 4.279,20 499.67,21 8.083,22 4.303,23 1067,24 7.903,25 21.909,26 26.579,27 144.268,28 26.554,29 13.42,30 363.501,31 466.91,32 30820,33 3.182,34 677.858,35 0.489,37 6.258,38 43.308,39 12.579,40 3.366,41 3.819,42 3.056,43 17.668,44 64.556,45 1.943,46 49734,47 213,48 12.183,49 13.894,50 2576.19,51 42006.4,52 203.259,53 33.601,54 6.256,55 270.206,56 651.063,57 3.845,58 3.171,59 6.862,60 2900,61 3.74,62 5.214,63 1.992,64 1.784,65 4.331,66 1.324,67 1.803,68 1.276,69 1.324,70 5.3}
{0 CHEMBL2002682,1 3.459,2 2.397,3 3.876,4 1,5 16.023,6 4.113,7 4.422,8 4.44,9 3.4,10 15.37,11 4.517,12 3.952,13 0.472,14 0.008,15 50.594,16 4.547,17 4.413,18 689,19 4.334,20 600.21,21 11.098,22 4.42,23 1486,24 9.344,25 25.214,26 30.52,27 172.4,28 31.048,29 17.619,30 453.163,31 546.81,32 50261,33 3.34,34 768.274,35 0.382,37 6.316,38 67.103,39 14.016,40 3.445,41 4.001,42 3.229,43 21.368,44 71.126,45 2.214,46 83919,47 343,48 15.093,49 19.142,50 3714.4,51 70258.5,52 249.648,53 38.421,54 7.583,55 316.18,56 763.239,57 4.033,58 3.075,59 7.066,60 5050,61 3.832,62 5.307,63 1.953,64 1.824,65 4.494,66 1.618,67 1.907,68 1.525,69 1.618,70 5.5}
{0 CHEMBL2002690,2 1.538,3 3.363,5 10.385,6 3.535,7 3.506,8 3.694,9 2.749,10 7.239,11 3.513,12 3.675,13 0.206,14 0.009,15 16.179,16 3.595,17 3.409,18 270,19 3.688,20 361.45,21 4.65,22 3.513,23 596,24 6.371,25 14.456,26 18.286,27 101.903,28 16.701,29 5.841,30 192.64,31 301.57,32 13710,33 2.705,34 423.676,35 0.499,37 5.301,38 21.231,39 11.722,40 2.925,41 3.469,42 2.735,43 13.112,44 38.104,45 1.425,46 24453,47 84,48 8.832,49 6.794,50 1148.94,51 14520.9,52 127.683,53 25.187,54 3.62,55 180.349,56 431.811,57 3.502,58 2.693,59 6.843,60 962,61 3.679,62 4.142,63 1.897,64 1.757,65 4.004,66 1,67 1.5,68 1,69 1,70 5.3}
{0 CHEMBL2002702,1 3.266,2 0.914,3 2.842,4 1,5 7.111,6 2.92,7 2.177,8 3.185,9 2.177,10 4.054,11 2.894,12 3.378,13 0.057,14 0.011,15 10.798,16 3.169,17 2.666,18 128,19 2.823,20 238.31,21 2.511,22 3.043,23 277,24 4.338,25 10.372,26 12.698,27 72.469,28 11.148,29 4.028,30 148.49,31 221.49,32 4183,33 2.366,34 298.234,35 0.832,37 4.676,38 10.136,39 9.237,40 2.645,41 3.149,42 2.386,43 8.648,44 25.64,45 0.527,46 6478,47 43,48 5.936,49 4.072,50 446.832,51 4137.91,52 74.896,53 17.691,54 1.873,55 129.568,56 307.907,57 3.178,58 2.359,59 7.591,60 346,61 3.324,62 3.82,63 1.794,64 1.61,65 3.634,66 -0.624,67 -0.748,68 -0.622,69 -0.624,70 6.7}
{0 CHEMBL2002726,1 3.015,2 1.901,3 3.544,5 11.889,6 3.729,7 3.467,8 3.667,9 2.967,10 7.808,11 3.656,12 3.794,13 0.152,14 0.006,15 18.622,16 3.746,17 3.548,18 321,19 3.557,20 358.48,21 5.079,22 3.64,23 708,24 7.121,25 15.222,26 18.64,27 107.094,28 17.564,29 6.861,30 253.611,31 322.51,32 14739,33 2.687,34 459.267,35 0.44,37 5.379,38 26.617,39 11.562,40 2.932,41 3.538,42 2.735,43 13.187,44 40.45,45 1.275,46 24084,47 112,48 9.013,49 7.822,50 1308.79,51 17472.8,52 136.221,53 26.422,54 4.12,55 194.128,56 465.432,57 3.566,58 2.848,59 6.804,60 1140,61 3.716,62 4.42,63 1.849,64 1.735,65 4.04,66 1,67 1.5,68 1,69 1,70 8.2}
{0 CHEMBL2002736,1 2.858,2 1.211,3 2.858,5 7.412,6 3.008,7 2.33,8 3.029,9 2.257,10 5.382,11 2.778,12 3.3,13 0.089,14 0.013,15 11.206,16 3.088,17 2.583,18 126,19 2.74,20 235.32,21 3.863,22 2.915,23 262,24 4.516,25 10.065,26 12.251,27 67.76,28 12.204,29 3.327,30 157.464,31 209.66,32 3743,33 2.148,34 320.571,35 0.926,37 4.501,38 10.429,39 8.104,40 2.576,41 3.044,42 2.043,43 8.22,44 28.416,45 0.125,46 5613,47 56,48 5.69,49 3.929,50 409.033,51 3693.21,52 70.137,53 17.068,54 2.705,55 127.758,56 303.488,57 3.051,58 2.15,59 6.823,60 328,61 3.224,62 3.833,63 1.76,64 1.426,65 3.56,66 -0.906,67 -1,68 -0.851,69 -0.906,70 5.3}
{0 CHEMBL2002992,1 3.055,2 1.497,3 3.144,4 1,5 8.857,6 3.311,7 2.961,8 3.319,9 2.529,10 6.062,11 3.386,12 3.47,13 0.14,14 0.011,15 18.208,16 3.494,17 3.227,18 186,19 3.251,20 286.42,21 4.155,22 3.371,23 401,24 5.478,25 12.303,26 14.82,27 81.7,28 14.394,29 5.018,30 206.574,31 266.07,32 6588,33 2.484,34 389.264,35 0.638,37 5.225,38 14.939,39 8.754,40 2.866,41 3.316,42 2.411,43 10.148,44 32.313,45 1,46 9851,47 64,48 7.634,49 5.818,50 695.406,51 7410.69,52 95.155,53 20.859,54 3.053,55 158.604,56 378.754,57 3.355,58 2.497,59 6.605,60 537,61 3.391,62 4.343,63 1.786,64 1.529,65 3.781,66 -0.18,67 -0.229,68 -0.173,69 -0.18,70 5.6}
{0 CHEMBL2003229,1 2.976,2 1.008,3 2.819,5 7.053,6 2.912,7 2.364,8 3.196,9 2.215,10 4.555,11 2.779,12 3.396,13 0.078,14 0.013,15 11.305,16 3.228,17 2.575,18 134,19 2.909,20 253.34,21 2.875,22 3.057,23 288,24 4.325,25 10.883,26 13.405,27 78.495,28 11.994,29 3.433,30 145.464,31 217.5,32 4786,33 2.499,34 316.352,35 0.877,37 4.765,38 11.435,39 9.699,40 2.687,41 3.153,42 2.453,43 9.165,44 27.588,45 0.735,46 7663,47 46,48 6.019,49 5.303,50 497.996,51 4751.61,52 80.165,53 18.451,54 2.041,55 136.363,56 324.485,57 3.164,58 2.237,59 6.823,60 347,61 3.26,62 3.845,63 1.701,64 1.43,65 3.687,66 -0.591,67 -0.807,68 -0.567,69 -0.591,70 7}
{0 CHEMBL2003271,2 1.208,3 3.085,5 8.833,6 3.237,7 3.658,8 4.148,9 2.48,10 6.881,11 3.47,12 3.91,13 0.227,14 0.011,15 13.411,16 3.628,17 3.333,18 212,19 3.952,20 399.69,21 5.013,22 3.531,23 448,24 5.303,25 14.984,26 19.284,27 97.47,28 17.484,29 4.962,30 153.71,31 295.54,32 11838,33 2.857,34 407.936,35 0.755,37 5.336,38 17.271,39 10.186,40 3.272,41 3.351,42 2.469,43 12.654,44 39.008,45 1.344,46 25064,47 90,48 8.605,49 5.708,50 893.309,51 10210.3,52 111.842,53 22.899,54 3.404,55 173.432,56 414.934,57 3.394,58 2.826,59 7.066,60 834,61 3.453,62 3.992,63 1.561,64 1.561,65 3.901,66 0.19,67 0.229,68 0.11,69 0.19,70 6.1}
{0 CHEMBL2003286,2 1.073,3 2.899,5 7.235,6 2.995,7 2.626,8 3.158,9 2.257,10 4.814,11 2.261,12 3.146,13 0.132,14 0.017,15 8.526,16 2.604,17 2.249,18 123,19 3.067,20 251.28,21 3.402,22 2.614,23 252,24 4.52,25 9.706,26 12.767,27 64.378,28 12.014,29 2.484,30 117.457,31 212.07,32 4792,33 2.093,34 303.143,35 0.9,37 5.035,38 10.201,39 7.841,40 2.648,41 2.98,42 1.676,43 8.505,44 28.453,45 0.809,46 9303,47 38,48 5.534,49 3.103,50 407.317,51 3699.83,52 70.246,53 17.037,54 2.623,55 117.845,56 279.302,57 2.99,58 2.191,59 6.763,60 296,61 3.004,62 3.193,63 1.487,64 1.223,65 3.554,66 -0.82,67 -1.079,68 -0.775,69 -0.82,70 5.6}
{0 CHEMBL2003341,2 1.846,3 3.437,5 11.077,6 3.624,7 3.555,8 3.854,9 2.888,10 8.432,11 3.481,12 3.7,13 0.254,14 0.012,15 14.456,16 3.597,17 3.39,18 288,19 3.743,20 387.28,21 6.017,22 3.523,23 610,24 6.662,25 15.206,26 19.518,27 102.699,28 18.554,29 5.705,30 196.477,31 328.38,32 14952,33 2.687,34 473.546,35 0.557,37 5.371,38 24.544,39 10.002,40 3.139,41 3.457,42 2.735,43 13.14,44 44.501,45 1.129,46 28370,47 100,48 8.704,49 6.791,50 1177.78,51 15032,52 128.549,53 25.382,54 4.697,55 189.41,56 453.92,57 3.485,58 2.707,60 1016,61 3.639,62 4.166,63 1.835,64 1.717,65 3.984,66 1,67 1.384,68 0.978,69 1,70 5.4}
{0 CHEMBL2003420,2 2.643,3 3.992,5 16.5,6 4.202,7 3.328,8 3.593,9 3.379,10 13.641,11 3.684,12 3.64,13 0.09,14 0.005,15 24.204,16 3.697,17 3.536,18 462,19 3.458,20 384.54,21 10.622,22 3.578,23 958,24 9.742,25 15.987,26 19.866,27 107.526,28 21.803,29 7.194,30 253.212,31 370.5,32 21364,33 2.857,34 545.989,35 0.411,37 5.504,38 36.49,39 8.167,40 3.162,41 3.516,42 2.787,43 13.737,44 62.848,45 1.244,46 35757,47 128,48 9.55,49 7.139,50 1588.31,51 25435.4,52 150.584,53 28.72,54 10.444,55 213.17,56 511.894,57 3.541,58 2.482,60 1468,61 3.631,62 4.626,63 1.975,64 1.769,65 4.047,66 0.916,67 0.947,68 0.864,69 0.916,70 5}
{0 CHEMBL2003456,2 1.078,3 2.845,5 6.938,6 2.889,7 1.929,8 2.683,9 2.281,10 3.524,11 2.009,12 3.297,13 0.037,14 0.009,15 4.874,16 2.483,17 1.949,18 111,19 2.437,20 211.24,21 2.031,22 2.429,23 245,24 4.146,25 8.397,26 10.958,27 59.726,28 9.218,29 1.517,30 105.342,31 180.59,32 3529,33 1.944,34 241.986,35 0.824,37 4.302,38 8.594,39 8.709,40 2.647,41 2.971,42 1.748,43 7.826,44 21.835,45 0.546,46 6094,47 34,48 4.963,49 1.908,50 346.721,51 2907.23,52 63.653,53 16.007,54 1.64,55 107.586,56 254.269,57 2.962,58 2.134,59 6.804,60 230,61 3.136,62 3.035,63 1.366,64 1.252,65 3.533,66 -1,67 -1.318,68 -0.954,69 -1,70 5.7}
{0 CHEMBL2003482,1 2.899,2 1.357,3 3.118,5 8.737,6 3.255,7 2.918,8 3.148,9 2.55,10 5.254,11 3.095,12 3.531,13 0.104,14 0.008,15 11.199,16 3.107,17 2.963,18 166,19 3.185,20 275.76,21 3.47,22 3.029,23 364,24 5.254,25 11.127,26 13.742,27 74.065,28 12.548,29 3.845,30 150.465,31 233.04,32 6044,33 2.375,34 324.588,35 0.623,37 4.653,38 12.188,39 8.406,40 2.687,41 3.177,42 2.121,43 9.509,44 28.009,45 0.887,46 10638,47 58,48 6.704,49 3.657,50 556.676,51 5551.5,52 83.313,53 19.229,54 2.76,55 138.031,56 328.555,57 3.204,58 2.389,59 7.391,60 410,61 3.311,62 3.79,63 1.684,64 1.534,65 3.687,66 -0.451,67 -0.531,68 -0.375,69 -0.451,70 5}
{0 CHEMBL2003514,2 1.898,3 3.508,5 11.56,6 3.654,7 3.31,8 3.492,9 2.953,10 7.757,11 3.324,12 3.681,13 0.185,14 0.009,15 15.171,16 3.492,17 3.277,18 289,19 3.419,20 334.41,21 5.246,22 3.418,23 616,24 6.73,25 14.009,26 17.648,27 91.833,28 16.906,29 4.869,30 209.82,31 302.66,32 12618,33 2.635,34 439.209,35 0.534,37 5.344,38 23.984,39 9.985,40 2.982,41 3.397,42 2.652,43 12.169,44 42.023,45 1.125,46 21697,47 92,48 7.844,49 5.838,50 1096.32,51 13714.9,52 122.669,53 24.719,54 4.128,55 176.74,56 423.007,57 3.404,58 2.493,60 923,61 3.598,62 4.193,63 1.79,64 1.681,65 3.949,66 0.882,67 1.187,68 0.876,69 0.882,70 5.3}
{0 CHEMBL2003637,2 1.483,3 3.241,5 9.292,6 3.346,7 3.241,8 3.663,9 2.705,10 6.174,11 3.357,12 3.677,13 0.121,14 0.006,15 12.431,16 3.517,17 3.283,18 223,19 3.546,20 324.38,21 3.868,22 3.476,23 488,24 5.577,25 12.999,26 16.518,27 92.492,28 15.034,29 4.463,30 188.877,31 265.68,32 10335,33 2.613,34 380.018,35 0.598,37 5.207,38 19.153,39 10.863,40 2.866,41 3.342,42 2.587,43 11.72,44 33.762,45 1.178,46 17973,47 78,48 7.945,49 4.742,50 923.594,51 10577,52 112.751,53 23.133,54 2.864,55 160.013,56 382.193,57 3.335,58 2.596,59 6.843,60 790,61 3.629,62 4.129,63 1.851,64 1.72,65 3.93,66 1,67 1,68 0.959,69 1,70 6.2}
{0 CHEMBL2003638,1 2.829,2 2.2,3 3.675,5 13.065,6 3.846,7 3.751,8 3.897,9 3.112,10 8.133,11 3.773,12 3.868,13 0.247,14 0.007,15 15.525,16 3.816,17 3.727,18 405,19 3.863,20 412.46,21 5.028,22 3.784,23 899,24 7.62,25 16.288,26 20.338,27 116.372,28 19.164,29 6.525,30 250.078,31 336.7,32 23425,33 2.804,34 461.041,35 0.398,37 5.689,38 36.11,39 13.183,40 3.169,41 3.604,42 2.735,43 14.759,44 43.762,45 1.563,46 43156,47 144,48 9.651,49 6.451,50 1788.41,51 26023.4,52 162.865,53 29.491,54 4.09,55 202.331,56 485.449,57 3.597,58 3.114,59 7.402,60 1689,61 3.839,62 4.433,63 1.982,64 1.887,65 4.183,66 1.157,67 1.673,68 1.13,69 1.157,70 6.3}
{0 CHEMBL2003682,2 1.543,3 3.254,5 9.522,6 3.423,7 3.233,8 3.463,9 2.719,10 6.572,11 3.187,12 3.628,13 0.198,14 0.01,15 11.035,16 3.276,17 3.17,18 219,19 3.461,20 314.32,21 4.333,22 3.263,23 467,24 5.907,25 11.885,26 14.493,27 81.57,28 15.167,29 4.44,30 161.525,31 267.65,32 10954,33 2.687,34 353.4,35 0.6,37 5.303,38 18.125,39 9.474,40 2.871,41 3.262,42 2.623,43 10.31,44 36.876,45 1,46 21490,47 70,48 6.806,49 4.274,50 865.91,51 10044.1,52 108.303,53 22.696,54 3.92,55 149.291,56 356.03,57 3.234,58 2.787,60 733,61 3.475,62 3.979,63 1.689,64 1.584,65 3.87,66 -0.347,67 -0.426,68 -0.303,69 -0.347,70 7.2}
{0 CHEMBL2003689,2 2.233,3 3.67,5 13.694,6 3.906,7 4.101,8 4.208,9 3.222,10 10.448,11 4.217,12 3.749,13 0.574,14 0.012,15 35.652,16 4.229,17 4.154,18 493,19 4.196,20 485.58,21 7.344,22 4.184,23 1048,24 8.023,25 20.317,26 25.872,27 134.359,28 25.305,29 12.266,30 317.775,31 442.55,32 31907,33 2.975,34 639.328,35 0.474,37 6.249,38 44.951,39 12.411,40 3.378,41 3.776,42 2.858,43 17.13,44 62.011,45 1.844,46 55974,47 211,48 11.523,49 12.075,50 2460.93,51 39584,52 196.888,53 33.044,54 5.901,55 252.09,56 606.86,57 3.788,58 3.215,59 6.862,60 2774,61 3.72,62 5.054,63 1.99,64 1.784,65 4.304,66 1.266,67 1.777,68 1.259,69 1.266,70 5.3}
{0 CHEMBL2003768,2 1.504,3 3.411,5 10.8,6 3.537,7 3.451,8 3.701,9 2.855,10 7.468,11 3.473,12 3.712,13 0.3,14 0.013,15 20.754,16 3.579,17 3.414,18 270,19 3.646,20 339.38,21 5.122,22 3.553,23 571,24 6.309,25 13.801,26 17.811,27 93.289,28 17.145,29 6.462,30 194.968,31 305.48,32 12593,33 2.687,34 445.58,35 0.588,37 5.609,38 21.613,39 10.632,40 2.867,41 3.373,42 2.637,43 12.135,44 41.754,45 1.228,46 22548,47 94,48 7.511,49 6.188,50 1060.99,51 13145.3,52 121.525,53 24.417,54 3.551,55 171.274,56 409.668,57 3.351,58 2.532,60 942,61 3.639,62 4.444,63 1.768,64 1.703,65 3.945,66 0.465,67 0.514,68 0.395,69 0.465,70 5}
{0 CHEMBL2003785,1 2.905,2 1.111,3 2.95,5 7.5,6 3.074,7 2.855,8 2.956,9 2.213,10 4.609,11 2.699,12 3.302,13 0.107,14 0.009,15 6.236,16 2.898,17 2.695,18 135,19 3.033,20 243.27,21 2.808,22 2.892,23 296,24 4.835,25 9.391,26 11.502,27 66.954,28 10.964,29 2.1,30 132.606,31 188.97,32 5366,33 2.18,34 270.024,35 0.677,37 4.907,38 10.222,39 9.512,40 2.716,41 3.032,42 2.118,43 8.433,44 25.841,45 0.484,46 9962,47 42,48 5.452,49 2.446,50 470.374,51 4520.21,52 76.598,53 18.141,54 2.282,55 118.376,56 280.598,57 3,58 2.198,59 6.605,60 334,61 3.14,62 3.529,63 1.541,64 1.366,65 3.643,66 -0.446,67 -0.556,68 -0.389,69 -0.446,70 4.1}
{0 CHEMBL2003817,2 1.611,3 3.304,5 10.167,6 3.486,7 3.286,8 3.57,9 2.757,10 6.324,11 3.08,12 3.589,13 0.197,14 0.01,15 9.252,16 3.145,17 3.118,18 244,19 3.464,20 333.3,21 4.217,22 3.206,23 517,24 6.061,25 12.003,26 14.656,27 78.386,28 16.004,29 3.601,30 166.219,31 256.52,32 12975,33 2.527,34 349.69,35 0.614,37 5.344,38 21.375,39 10.276,40 2.875,41 3.248,42 2.369,43 10.22,44 39.349,45 1.043,46 27091,47 86,48 6.733,49 3.58,50 962.087,51 11325.4,52 114.441,53 23.5,54 3.738,55 147.691,56 352.126,57 3.186,58 2.594,60 820,61 3.44,62 3.922,63 1.636,64 1.518,65 3.907,66 0.04,67 0.048,68 0.037,69 0.04,70 5.7}
{0 CHEMBL2004025,2 1.422,3 3.197,5 9.414,6 3.391,7 4.08,8 4.334,9 2.651,10 10.572,11 3.994,12 3.721,13 0.489,14 0.014,15 45.321,16 4.118,17 3.921,18 273,19 4.245,20 425.5,21 8.431,22 4.063,23 542,24 5.992,25 17.369,26 21.691,27 106.19,28 23.126,29 11.964,30 247.403,31 372.09,32 17024,33 2.848,34 545.623,35 0.933,37 6.244,38 27.988,39 9.717,40 3.248,41 3.509,42 2.778,43 14.728,44 64.683,45 1.462,46 31463,47 112,48 10.265,49 12.634,50 1376.8,51 18377.4,52 144.521,53 26.902,54 6.419,55 207.642,56 498.405,57 3.509,58 2.89,60 1469,61 3.666,62 5.052,63 1.648,64 1.639,65 4.071,66 0.523,67 0.566,68 0.468,69 0.523,70 5.3}
{0 CHEMBL2004118,1 3.148,2 1.747,3 3.342,4 1,5 10.32,6 3.519,7 3.501,8 3.711,9 2.779,10 7.199,11 3.496,12 3.59,13 0.193,14 0.009,15 16.031,16 3.541,17 3.383,18 258,19 3.481,20 357.88,21 4.791,22 3.435,23 571,24 6.242,25 14.806,26 17.725,27 99.72,28 16.64,29 5.388,30 218.379,31 298.34,32 11723,33 2.822,34 423.187,35 0.509,37 5.15,38 21.526,39 10.537,40 3.125,41 3.434,42 2.726,43 12.53,44 36.075,45 1.256,46 19912,47 87,48 8.854,49 6.057,50 1055.83,51 12819.5,52 120.986,53 24.357,54 3.449,55 179.668,56 430.15,57 3.445,58 2.78,59 6.605,60 843,61 3.483,62 4.208,63 1.836,64 1.629,65 3.968,66 0.887,67 1,68 0.847,69 0.887,70 5.7}
{0 CHEMBL2004156,2 1.41,3 3.204,5 9.208,6 3.308,7 3.267,8 3.675,9 2.69,10 5.607,11 3.26,12 3.762,13 0.197,14 0.01,15 10.957,16 3.435,17 3.217,18 221,19 3.619,20 323.32,21 3.421,22 3.437,23 484,24 5.442,25 12.318,26 14.941,27 84.735,28 14.644,29 4.896,30 164.015,31 254.45,32 11090,33 2.687,34 351.532,35 0.624,37 5.4,38 18.5,39 11.558,40 2.798,41 3.339,42 2.587,43 10.826,44 33.723,45 1.134,46 21646,47 85,48 7.213,49 4.885,50 913.006,51 10355.5,52 112.211,53 23.025,54 2.62,55 151.361,56 361.08,57 3.317,58 2.741,59 6.862,60 780,61 3.672,62 4.047,63 1.764,64 1.692,65 3.927,66 0.83,67 1.169,68 0.786,69 0.83,70 5}
{0 CHEMBL2004159,2 1.951,3 3.511,5 11.583,6 3.664,7 3.264,8 3.348,9 2.939,10 7.557,11 3.207,12 3.68,13 0.135,14 0.007,15 11.555,16 3.319,17 3.192,18 278,19 3.349,20 320.38,21 5.02,22 3.28,23 595,24 6.779,25 13.139,26 16.778,27 87.415,28 15.942,29 3.804,30 192.122,31 285.36,32 11880,33 2.631,34 408.947,35 0.51,37 5.27,38 23.389,39 9.967,40 2.881,41 3.345,42 2.624,43 11.758,44 39.584,45 1.048,46 20812,47 88,48 7.396,49 4.67,50 1011.26,51 12461.2,52 116.83,53 24.034,54 4.091,55 167.148,56 399.601,57 3.343,58 2.443,60 832,61 3.597,62 4.013,63 1.78,64 1.679,65 3.913,66 0.47,67 0.564,68 0.448,69 0.47,70 5.3}
{0 CHEMBL2004290,2 2.711,3 3.959,5 16.711,6 4.175,7 4.182,8 4.149,9 3.514,10 10.73,11 4.22,12 3.882,13 0.459,14 0.01,15 30.912,16 4.186,17 4.112,18 635,19 4.126,20 528.69,21 7.388,22 4.096,23 1378,24 9.385,25 22.043,26 27.217,27 151.3,28 26.164,29 12.125,30 346.665,31 453.22,32 40245,33 3.065,34 659.647,35 0.35,37 5.994,38 56.817,39 13.934,40 3.413,41 3.838,42 2.941,43 18.651,44 59.499,45 2.242,46 70526,47 252,48 12.814,49 10.703,50 2934.72,51 50960.5,52 214.88,53 35.115,54 6.013,55 268.218,56 646.213,57 3.864,58 3.376,59 7.434,60 3110,61 3.806,62 4.902,63 1.946,64 1.845,65 4.368,66 1.37,67 1.923,68 1.324,69 1.37,70 7}
{0 CHEMBL2004311,2 1.983,3 3.51,5 11.897,6 3.736,7 3.476,8 3.805,9 2.962,10 7.726,11 3.657,12 3.79,13 0.29,14 0.011,15 20.001,16 3.797,17 3.559,18 345,19 3.556,20 385.5,21 5.121,22 3.698,23 751,24 7.229,25 16.72,26 20.543,27 114.783,28 19.223,29 7.377,30 246.384,31 363.16,32 17463,33 2.911,34 490.405,35 0.458,37 5.477,38 28.785,39 11.127,40 3.067,41 3.607,42 2.919,43 13.902,44 44.988,45 1.801,46 28884,47 103,48 9.579,49 8.136,50 1516.83,51 21015.1,52 148.87,53 27.795,54 4.032,55 207.587,56 498.272,57 3.637,58 2.927,59 6.823,60 1269,61 3.764,62 4.455,63 1.897,64 1.783,65 4.101,66 1.157,67 1.633,68 1.145,69 1.157,70 5.1}
{0 CHEMBL2004365,2 1.427,3 3.093,5 9.2,6 3.301,7 3.99,8 4.574,9 2.666,10 8.689,11 4.033,12 4.042,13 0.372,14 0.012,15 37.352,16 4.17,17 3.863,18 276,19 4.161,20 459.61,21 6.181,22 4.037,23 590,24 5.627,25 18.235,26 22.474,27 121.644,28 21.34,29 13.491,30 246.311,31 380.61,32 17615,33 2.893,34 509.939,35 0.711,37 5.919,38 26.667,39 10.138,40 3.259,41 3.603,42 2.645,43 15.751,44 46.43,45 2.059,46 33306,47 105,48 11.528,49 13.011,50 1435.92,51 18721.2,52 148.719,53 27.317,54 3.799,55 213.53,56 512.774,57 3.668,58 2.984,59 7.703,60 1278,61 3.736,62 4.755,63 1.718,64 1.491,65 4.128,66 0.953,67 1.148,68 0.875,69 0.953,70 6}
{0 CHEMBL2004419,2 1.333,3 3.279,5 10,6 3.411,7 4.047,8 4.26,9 2.698,10 7.258,11 3.914,12 3.847,13 0.441,14 0.012,15 25.763,16 4.108,17 3.859,18 300,19 4.23,20 423.53,21 4.681,22 4.034,23 660,24 5.944,25 17.25,26 19.604,27 115.367,28 19.347,29 9.278,30 245.611,31 332.11,32 17693,33 2.781,34 460.585,35 0.564,37 5.987,38 25.102,39 13.239,40 3.202,41 3.608,42 2.735,43 14.068,44 41.248,45 1.486,46 31960,47 120,48 10.472,49 12.209,50 1483.97,51 19562.6,52 150.196,53 27.506,54 3.261,55 203.06,56 487.226,57 3.631,58 3.126,59 8.009,60 1424,61 3.786,62 4.702,63 1.921,64 1.724,65 4.146,66 1.097,67 1.5,68 1,69 1.097,70 5.6}
{0 CHEMBL2004438,2 2.185,3 3.689,5 13.419,6 3.903,7 3.553,8 3.735,9 3.127,10 8.249,11 3.573,12 3.805,13 0.369,14 0.014,15 13.975,16 3.634,17 3.53,18 416,19 3.773,20 423.43,21 5.493,22 3.604,23 900,24 8.03,25 15.942,26 19.51,27 109.694,28 20.641,29 5.957,30 232.801,31 346.44,32 26440,33 2.787,34 460.776,35 0.411,37 5.542,38 33.101,39 12.331,40 3.225,41 3.568,42 2.752,43 13.597,44 49.861,45 1.601,46 52644,47 121,48 9.16,49 6.114,50 1814.98,51 27113,52 164.333,53 29.673,54 4.599,55 198.662,56 476.495,57 3.543,58 2.984,60 1585,61 3.766,62 4.309,63 1.93,64 1.834,65 4.165,66 1.111,67 1.6,68 1.078,69 1.111,70 5.3}
{0 CHEMBL2004443,2 1.417,3 3.259,5 9.75,6 3.345,7 3.281,8 3.678,9 2.689,10 5.607,11 3.263,12 3.762,13 0.202,14 0.011,15 10.912,16 3.435,17 3.209,18 234,19 3.56,20 323.32,21 3.421,22 3.434,23 514,24 5.535,25 12.318,26 14.941,27 84.735,28 14.644,29 4.874,30 147.525,31 254.45,32 11296,33 2.687,34 351.532,35 0.611,37 5.458,38 19.063,39 11.548,40 2.734,41 3.339,42 2.587,43 10.826,44 33.761,45 1.017,46 22206,47 86,48 7.213,49 4.902,50 923.341,51 10480.9,52 112.493,53 23.098,54 2.62,55 151.361,56 361.08,57 3.317,58 2.741,59 6.862,60 790,61 3.672,62 4.041,63 1.761,64 1.691,65 3.927,66 0.865,67 1.202,68 0.817,69 0.865,70 5}
{0 CHEMBL2004447,1 2.951,2 0.888,3 2.703,5 6.522,6 2.824,7 2.345,8 3.955,9 2.054,10 5.399,11 3.243,12 3.575,13 0.061,14 0.02,15 23.471,16 3.674,17 3.001,18 150,19 3.458,20 312.38,21 3.657,22 3.562,23 312,24 4.407,25 13.145,26 15.905,27 85.929,28 15.579,29 6.063,30 175.593,31 281.52,32 7621,33 2.499,34 400.084,35 0.991,37 5.621,38 13.69,39 9.563,40 2.884,41 3.331,42 2.618,43 10.431,44 36.199,45 1.317,46 12807,47 58,48 7.25,49 7.343,50 714.561,51 7929.43,52 102.611,53 21.363,54 2.495,55 160.612,56 383.654,57 3.338,58 2.386,59 6.88,60 694,61 3.522,62 4.465,63 1.736,64 1.632,65 3.859,66 -0.122,67 -0.161,68 -0.108,69 -0.122,70 5}
{0 CHEMBL2004513,2 1.396,3 3.206,5 9.346,6 3.326,7 3.46,8 3.669,9 2.623,10 6.657,11 3.527,12 3.686,13 0.269,14 0.011,15 16.241,16 3.692,17 3.467,18 243,19 3.544,20 344.39,21 4.191,22 3.603,23 530,24 5.595,25 14.076,26 18.096,27 98.405,28 16.369,29 6.414,30 195.722,31 309.05,32 12111,33 2.761,34 410.137,35 0.622,37 5.44,38 19.769,39 11.588,40 2.969,41 3.465,42 2.769,43 12.669,44 37.854,45 1.461,46 21441,47 82,48 8.163,49 7.295,50 1081.05,51 12962.6,52 124.606,53 24.522,54 2.991,55 176.012,56 421.229,57 3.47,58 2.722,59 5.38,60 852,61 3.685,62 4.31,63 1.883,64 1.781,65 4.005,66 1,67 1.486,68 1.005,69 1,70 5}
{0 CHEMBL2004515,1 3.075,2 1.049,3 2.788,4 1,5 6.556,6 2.882,7 2.31,8 3.065,9 2.171,10 3.716,11 2.204,12 3.291,13 0.01,14 0.002,15 5.082,16 2.655,17 2.179,18 118,19 2.844,20 239.25,21 2.047,22 2.669,23 271,24 4.24,25 9.382,26 11.949,27 64.325,28 9.914,29 1.765,30 124.382,31 183.42,32 4781,33 2.183,34 249.464,35 0.742,37 4.279,38 9.222,39 10.182,40 2.608,41 3.078,42 2.18,43 8.916,44 22.622,45 0.781,46 8714,47 36,48 5.598,49 2.524,50 440.923,51 4030.12,52 74.47,53 17.658,54 1.499,55 113.781,56 269.385,57 3.037,58 2.47,59 7.286,60 316,61 3.129,62 3.216,63 1.637,64 1.462,65 3.666,66 -0.447,67 -0.594,68 -0.423,69 -0.447,70 5.4}
{0 CHEMBL2004544,2 1.388,3 3.254,5 9.731,6 3.44,7 3.572,8 3.75,9 2.643,10 6.446,11 3.503,12 3.897,13 0.316,14 0.013,15 14.683,16 3.59,17 3.456,18 253,19 3.529,20 373.41,21 4.245,22 3.516,23 554,24 6.01,25 14.285,26 18.561,27 95.398,28 17.12,29 6.308,30 209.66,31 298.95,32 14318,33 2.65,34 416.387,35 0.556,37 5.483,38 20.923,39 11.067,40 2.981,41 3.452,42 2.61,43 13.326,44 38.046,45 1.752,46 28128,47 86,48 9.219,49 7.504,50 1118.11,51 13738.6,52 126.183,53 24.882,54 3.254,55 172.343,56 412.276,57 3.452,58 2.987,59 6.581,60 974,61 3.707,62 4.252,63 1.651,64 1.571,65 3.999,66 0.726,67 0.853,68 0.687,69 0.726,70 5.7}
{0 CHEMBL2004615,2 1.024,3 2.721,5 6.412,6 2.813,7 1.838,8 3.099,9 2.184,10 4.773,11 2.351,12 3.474,13 0.061,14 0.02,15 8.167,16 2.878,17 2.137,18 109,19 2.642,20 249.33,21 3.355,22 2.682,23 221,24 4.071,25 9.939,26 12.767,27 68.331,28 11.951,29 2.61,30 125.851,31 201.5,32 4017,33 2.069,34 299.116,35 1.114,37 4.425,38 10.021,39 8.051,40 2.611,41 2.976,42 1.811,43 8.705,44 28.17,45 0.737,46 7004,47 38,48 6.01,49 4.299,50 382.513,51 3407.05,52 68.706,53 16.696,54 2.138,55 123.441,56 292.957,57 3.002,58 1.959,59 7.034,60 291,61 3.142,62 3.355,63 1.521,64 1.312,65 3.555,66 -1,67 -1.345,68 -0.967,69 -1,70 5.1}
{0 CHEMBL2004631,1 2.829,2 1.651,3 3.202,5 9.28,6 3.372,7 3.369,8 3.734,9 2.709,10 5.71,11 3.687,12 3.789,13 0.097,14 0.004,15 19.468,16 3.831,17 3.548,18 232,19 3.642,20 330.43,21 3.352,22 3.718,23 528,24 5.696,25 13.684,26 16.803,27 99.842,28 14.673,29 7.081,30 208.574,31 274.1,32 10743,33 2.687,34 379.684,35 0.529,37 5.322,38 20.698,39 11.33,40 2.934,41 3.46,42 2.709,43 12.293,44 31.986,45 1.179,46 17871,47 87,48 8.507,49 7.895,50 1011.61,51 11940.1,52 119.067,53 23.984,54 2.706,55 170.477,56 407.724,57 3.476,58 2.825,59 8.091,60 886,61 3.797,62 4.479,63 1.657,64 1.53,65 3.973,66 1,67 1.351,68 0.978,69 1,70 6}
{0 CHEMBL2004637,2 2.028,3 3.624,5 12.973,6 3.829,7 4.207,8 4.264,9 3.068,10 11.263,11 4.394,12 3.789,13 0.671,14 0.013,15 44.748,16 4.406,17 4.303,18 480,19 4.279,20 498.69,21 8.083,22 4.318,23 1017,24 7.774,25 21.785,26 26.579,27 145.922,28 26.554,29 13.554,30 371.838,31 469.12,32 29779,33 3.162,34 677.149,35 0.498,37 6.274,38 41.92,39 12.579,40 3.366,41 3.83,42 3.091,43 17.706,44 64.521,45 1.801,46 46960,47 184,48 12.471,49 14.187,50 2550.31,51 41459.9,52 202.805,53 33.497,54 6.08,55 273.004,56 657.89,57 3.862,58 3.196,59 6.862,60 2850,61 3.741,62 5.247,63 1.992,64 1.784,65 4.331,66 1.302,67 1.81,68 1.275,69 1.302,70 5.3}
{0 CHEMBL2004647,2 1.527,3 3.116,5 8.957,6 3.244,7 3.063,8 4.005,9 2.752,10 6.227,11 3.247,12 3.734,13 0.197,14 0.015,15 31.749,16 3.522,17 3.085,18 206,19 3.885,20 381.26,21 4.449,22 3.399,23 434,24 5.185,25 14.384,26 17.723,27 87.482,28 16.43,29 6.022,30 197.367,31 282.99,32 8981,33 2.661,34 425.935,35 0.781,37 5.174,38 17.52,39 9.5,40 3.057,41 3.315,42 2.533,43 11.512,44 36.712,45 1.101,46 15900,47 77,48 8.062,49 7.219,50 820.827,51 8863.78,52 105.26,53 22.009,54 2.774,55 165.991,56 396.777,57 3.319,58 2.653,59 6.581,60 561,61 3.451,62 4.187,63 1.701,64 1.556,65 3.86,66 0.277,67 0.301,68 0.199,69 0.277,70 5}
{0 CHEMBL2004692,2 1.553,3 3.241,5 9.815,6 3.467,7 3.617,8 3.984,9 2.661,10 7.676,11 3.431,12 3.762,13 0.181,14 0.008,15 14.526,16 3.56,17 3.39,18 265,19 3.901,20 380.43,21 4.937,22 3.592,23 581,24 6.169,25 14.498,26 18.993,27 105.144,28 17.366,29 4.646,30 193.376,31 287.37,32 15749,33 2.682,34 416.393,35 0.56,37 5.517,38 25.572,39 10.551,40 2.91,41 3.399,42 2.561,43 13.691,44 40.001,45 1.202,46 30495,47 109,48 8.582,49 4.861,50 1216.76,51 15596.2,52 132.879,53 25.82,54 3.592,55 175.951,56 421.08,57 3.389,58 2.511,59 7.687,60 1254,61 3.613,62 4.264,63 1.593,64 1.519,65 4.036,66 0.897,67 1.267,68 0.864,69 0.897,70 5}
{0 CHEMBL2004716,2 3.266,3 4.037,5 17.385,6 4.279,7 4.065,8 4.246,9 3.526,10 13.586,11 4.242,12 3.806,13 0.413,14 0.01,15 35.675,16 4.241,17 4.111,18 678,19 4.137,20 542.77,21 9.959,22 4.151,23 1427,24 10.094,25 23.27,26 28.131,27 162.121,28 28.589,29 13.282,30 398.838,31 502.29,32 42149,33 3.155,34 709.009,35 0.371,37 6.048,38 66.447,39 13.201,40 3.424,41 3.882,42 3.123,43 19.326,44 70.812,45 2.136,46 68020,47 242,48 13.845,49 11.721,50 3170.5,51 58247.5,52 224.351,53 36.223,54 7.584,55 290.8,56 701.312,57 3.931,58 3.307,59 6.88,60 3607,61 3.788,62 4.966,63 1.965,64 1.85,65 4.385,66 1.218,67 1.731,68 1.18,69 1.218,70 6.5}
{0 CHEMBL2004771,2 1.808,3 3.424,5 11.038,6 3.612,7 3.197,8 3.477,9 2.903,10 6.007,11 3.296,12 3.757,13 0.17,14 0.009,15 11.521,16 3.483,17 3.225,18 287,19 3.322,20 341.39,21 3.506,22 3.396,23 657,24 6.658,25 13.822,26 17.51,27 97.851,28 15.175,29 4.603,30 198.905,31 288,32 14026,33 2.695,34 378.603,35 0.422,37 5.084,38 22.769,39 12.44,40 2.942,41 3.482,42 2.735,43 12.776,44 34.19,45 1.41,46 25115,47 82,48 8.409,49 5.676,50 1173.81,51 14843.8,52 128.323,53 25.344,54 2.684,55 171.417,56 410.017,57 3.482,58 2.705,59 7.516,60 848,61 3.737,62 4.033,63 1.881,64 1.77,65 4.022,66 1,67 1.5,68 1,69 1,70 6.7}
{0 CHEMBL2004871,2 1.256,3 3.046,5 8.318,6 3.164,7 3.147,8 3.646,9 2.517,10 6.608,11 3.336,12 3.635,13 0.172,14 0.011,15 19.789,16 3.669,17 3.21,18 183,19 3.429,20 297.36,21 4.38,22 3.535,23 387,24 5.066,25 11.984,26 14.493,27 82.905,28 14.581,29 6.778,30 177.421,31 259.62,32 7978,33 2.634,34 378.897,35 0.777,37 5.489,38 17.76,39 9.766,40 2.687,41 3.289,42 2.528,43 10.398,44 34.12,45 1,46 14086,47 77,48 7.117,49 8.087,50 730.903,51 7937,52 99.497,53 21.345,54 3.139,55 153.818,56 367.076,57 3.297,58 2.346,59 6.843,60 712,61 3.543,62 4.379,63 1.872,64 1.648,65 3.83,66 0.273,67 0.296,68 0.246,69 0.273,70 5.4}
{0 CHEMBL2004872,2 1.898,3 3.508,5 11.56,6 3.654,7 3.296,8 3.485,9 2.953,10 7.801,11 3.444,12 3.673,13 0.185,14 0.009,15 16.696,16 3.59,17 3.35,18 289,19 3.417,20 333.42,21 5.295,22 3.479,23 616,24 6.73,25 14.139,26 17.648,27 96.49,28 16.969,29 6.214,30 218.705,31 308.96,32 12450,33 2.649,34 444.529,35 0.534,37 5.323,38 23.984,39 9.985,40 2.988,41 3.422,42 2.652,43 12.169,44 42.023,45 1.125,46 21171,47 92,48 7.984,49 7.057,50 1096.32,51 13714.9,52 122.669,53 24.719,54 4.157,55 179.538,56 429.834,57 3.441,58 2.495,60 923,61 3.572,62 4.277,63 1.78,64 1.665,65 3.949,66 0.882,67 1.187,68 0.88,69 0.882,70 5}
{0 CHEMBL2004892,1 2.85,2 1.592,3 3.122,5 8.857,6 3.327,7 3.074,8 3.239,9 2.522,10 5.058,11 2.971,12 3.788,13 0.211,14 0.016,15 12.224,16 3.12,17 2.862,18 186,19 3.159,20 302.39,21 3.353,22 3.014,23 398,24 5.559,25 12.107,26 15.285,27 85.059,28 13.922,29 3.777,30 160.015,31 242.59,32 8137,33 2.469,34 340.157,35 0.636,37 4.973,38 16.726,39 10.149,40 2.687,41 3.251,42 2.355,43 10.848,44 32.394,45 0.786,46 15055,47 58,48 8.132,49 3.887,50 698.57,51 7450.5,52 95.269,53 20.863,54 3.014,55 148.692,56 354.568,57 3.289,58 2.481,59 6.804,60 530,61 3.725,62 3.77,63 1.604,64 1.638,65 3.778,66 -0.432,67 -0.55,68 -0.415,69 -0.432,70 5.3}
{0 CHEMBL2004934,2 1.846,3 3.504,5 11.538,6 3.645,7 3.415,8 3.588,9 2.95,10 8.006,11 3.467,12 3.693,13 0.209,14 0.009,15 18.147,16 3.607,17 3.41,18 300,19 3.504,20 350.42,21 5.523,22 3.524,23 637,24 6.695,25 14.57,26 17.648,27 98.225,28 17.937,29 6.559,30 227.624,31 321.33,32 13742,33 2.687,34 452.682,35 0.556,37 5.558,38 24.533,39 10.023,40 2.993,41 3.458,42 2.733,43 12.169,44 44.532,45 1.15,46 23862,47 98,48 8.23,49 7.288,50 1184.61,51 15065.8,52 128.602,53 25.397,54 4.223,55 183.535,56 439.585,57 3.474,58 2.498,60 1000,61 3.638,62 4.338,63 1.831,64 1.716,65 3.984,66 0.884,67 1.188,68 0.887,69 0.884,70 5.2}
{0 CHEMBL2005112,2 1.537,3 3.383,5 10.906,6 3.555,7 4.022,8 4.441,9 2.804,10 7.597,11 3.964,12 3.976,13 0.426,14 0.011,15 40.127,16 4.089,17 3.863,18 349,19 4.148,20 486.35,21 4.855,22 4.007,23 772,24 6.438,25 18.752,26 23.568,27 123.924,28 20.448,29 10.735,30 253.814,31 373.26,32 22109,33 2.909,34 510.703,35 0.518,37 5.956,38 27.867,39 13.574,40 3.273,41 3.644,42 2.84,43 15.978,44 45.543,45 2.026,46 41533,47 125,48 10.598,49 9.886,50 1763.46,51 24348.2,52 164.574,53 29.234,54 3.154,55 216.914,56 521.03,57 3.652,58 3.072,59 7.735,60 1646,61 3.756,62 4.707,63 1.939,64 1.854,65 4.205,66 1.333,67 1.888,68 1.224,69 1.333,70 5.1}
{0 CHEMBL2005186,1 2.962,2 2.073,3 3.667,5 13.118,6 3.854,7 4.071,8 4.085,9 3.136,10 9.598,11 4.228,12 3.818,13 0.355,14 0.008,15 27.075,16 4.228,17 4.138,18 446,19 4.133,20 452.56,21 6.217,22 4.164,23 980,24 7.729,25 18.871,26 23.493,27 128.495,28 22.022,29 11.305,30 315.498,31 391.32,32 26798,33 2.945,34 551.766,35 0.417,37 5.969,38 40.298,39 13.781,40 3.283,41 3.724,42 2.903,43 16.547,44 49.916,45 1.691,46 45886,47 176,48 11.046,49 10.183,50 2162.02,51 33286.3,52 182.674,53 31.553,54 5.091,55 233.906,56 562.492,57 3.731,58 3.225,59 6.581,60 2262,61 3.806,62 4.897,63 1.967,64 1.859,65 4.271,66 1.347,67 1.936,68 1.316,69 1.347,70 5}
{0 CHEMBL2005216,1 3.12,2 1.857,3 3.494,4 1,5 11.714,6 3.7,7 3.704,8 4.025,9 2.955,10 7.858,11 3.709,12 3.921,13 0.317,14 0.013,15 24.912,16 3.839,17 3.588,18 328,19 3.884,20 420.97,21 5.454,22 3.705,23 713,24 6.961,25 16.887,26 20.475,27 108.03,28 19.434,29 6.817,30 240.366,31 336.64,32 17752,33 2.866,34 481.76,35 0.476,36 1,37 5.449,38 27.566,39 11.051,40 3.239,41 3.542,42 2.706,43 14.587,44 42.605,45 1.457,46 33037,47 110,48 11.351,49 8.591,50 1398.59,51 18684.9,52 141.698,53 26.921,54 4.765,55 201.589,56 483.638,57 3.579,58 2.982,59 6.843,60 1258,61 3.727,62 4.439,63 1.783,64 1.733,65 4.069,66 1,67 1,68 0.98,69 1,70 7.8}
{0 CHEMBL2005375,2 2.305,3 3.664,5 13.568,6 3.907,7 4.063,8 4.329,9 3.104,10 11.467,11 4.312,12 3.721,13 0.462,14 0.01,15 44.465,16 4.438,17 4.179,18 502,19 4.143,20 506.72,21 8.086,22 4.304,23 1098,24 8.077,25 22.126,26 25.941,27 143.775,28 26.09,29 14.038,30 381.677,31 480.61,32 29623,33 3.033,34 679.396,35 0.413,37 6.074,38 42.97,39 10.903,40 3.316,41 3.858,42 2.959,43 17.995,44 56.841,45 1.941,46 45464,47 199,48 13.686,49 14.965,50 2602.16,51 42145.8,52 203.531,53 33.68,54 5.382,55 271.724,56 654.767,57 3.887,58 3.351,59 6.293,60 2549,61 3.733,62 5.234,63 1.971,64 1.843,65 4.346,66 1.222,67 1.596,68 1.202,69 1.222,70 5.6}
{0 CHEMBL2005449,1 2.846,2 1.636,3 3.307,5 10,6 3.452,7 3.337,8 3.612,9 2.732,10 6.771,11 3.32,12 3.822,13 0.15,14 0.009,15 14.847,16 3.45,17 3.204,18 220,19 3.612,20 314.81,21 4.561,22 3.377,23 473,24 5.95,25 12.724,26 15.864,27 89.673,28 14.818,29 4.347,30 175.24,31 258.37,32 9004,33 2.687,34 376.154,35 0.579,36 1,37 5.067,38 19,39 9.549,40 2.871,41 3.258,42 2.578,43 10.975,44 34.542,45 0.829,46 15634,47 72,48 7.181,49 4.274,50 797.391,51 9036.37,52 102.586,53 22.044,54 4.2,55 158.155,56 377.658,57 3.264,58 2.551,59 6.529,60 662,61 3.625,62 4.031,63 1.752,64 1.558,65 3.829,66 -0.084,67 -0.103,68 -0.078,69 -0.084,70 5.3}
{0 CHEMBL2005475,1 3.089,2 1.771,3 3.413,5 10.75,6 3.547,7 3.31,8 3.693,9 2.907,10 7.059,11 3.499,12 3.747,13 0.137,14 0.007,15 19.19,16 3.628,17 3.358,18 258,19 3.53,20 339.5,21 4.656,22 3.475,23 572,24 6.27,25 14.364,26 16.709,27 99.096,28 15.829,29 6.437,30 206.869,31 296.94,32 10012,33 2.688,34 417.941,35 0.501,37 5.209,38 22.382,39 10.238,40 2.941,41 3.469,42 2.735,43 12.218,44 34.015,45 1.061,46 15420,47 88,48 9.442,49 7.457,50 978.895,51 11629.6,52 115.093,53 23.708,54 3.418,55 178.47,56 427.226,57 3.537,58 2.523,59 7.526,60 806,61 3.774,62 4.189,63 1.713,64 1.601,65 3.93,66 0.962,67 1,68 0.906,69 0.962,70 5.4}
{0 CHEMBL2005478,1 3.333,2 1.227,3 3.092,4 2,5 8.5,6 3.175,7 3.656,8 3.634,9 2.495,10 5.109,11 3.267,12 3.937,13 0.215,14 0.014,15 16.988,16 3.428,17 3.126,18 187,19 3.651,20 357.23,21 3.203,22 3.343,23 413,24 5.014,25 13.678,26 16.267,27 88.336,28 13.794,29 4.481,30 170.015,31 243.27,32 8138,33 2.663,34 348.131,35 0.67,37 5.024,38 15.479,39 11.505,40 2.929,41 3.292,42 2.526,43 11.23,44 29.805,45 1.02,46 14687,47 66,48 7.595,49 5.292,50 733.361,51 7742.32,52 99.114,53 21.196,54 2.248,55 154.342,56 368.355,57 3.299,58 2.582,59 7.636,60 600,61 3.379,62 3.982,63 1.79,64 1.665,65 3.845,66 0.448,67 0.51,68 0.388,69 0.448,70 5.3}
{0 CHEMBL2005482,2 2.746,3 3.967,5 16.409,6 4.149,7 4.611,8 4.622,9 3.476,10 12.944,11 4.491,12 3.913,13 0.591,14 0.009,15 44.875,16 4.524,17 4.406,18 722,19 4.615,20 622.2,21 8.466,22 4.438,23 1616,24 9.338,25 25.184,26 30.735,27 174.046,28 28.777,29 13.968,30 406.235,31 513.6,32 56358,33 3.405,34 701.291,35 0.313,37 6.205,38 63.99,39 15.969,40 3.555,41 3.989,42 3.121,43 22.345,44 60.146,45 2.279,46 101577,47 272,48 15.488,49 14.483,50 3924.52,51 73169.9,52 256.17,53 38.959,54 6.462,55 303.742,56 732.89,57 4.012,58 3.35,59 7.535,60 4734,61 3.85,62 5.127,63 1.979,64 1.899,65 4.534,66 1.472,67 2.099,68 1.43,69 1.472,70 6.8}
{0 CHEMBL2005509,1 3.158,2 1.916,3 3.565,4 1,5 12.321,6 3.729,7 3.614,8 4.007,9 3.066,10 8.434,11 3.734,12 3.766,13 0.268,14 0.011,15 27.708,16 3.889,17 3.6,18 345,19 3.853,20 399.93,21 5.76,22 3.748,23 752,24 7.05,25 16.254,26 20.01,27 109.731,28 19.124,29 7.691,30 243.438,31 335,32 16964,33 2.866,34 481.883,35 0.47,36 1,37 5.45,38 28.408,39 10.988,40 3.222,41 3.525,42 2.684,43 13.907,44 42.614,45 1.457,46 29854,47 134,48 9.718,49 9.046,50 1409.63,51 18887.1,52 141.97,53 26.996,54 4.459,55 199.921,56 479.568,57 3.534,58 2.921,59 6.843,60 1280,61 3.609,62 4.546,63 1.791,64 1.722,65 4.073,66 1,67 1,68 0.982,69 1,70 7.9}
{0 CHEMBL2005528,1 3.1,2 1.252,3 2.959,4 1,5 7.737,6 3.045,7 2.687,8 3.186,9 2.465,10 4.704,11 2.637,12 3.395,13 0.109,14 0.012,15 9.121,16 2.937,17 2.574,18 147,19 2.803,20 258.3,21 3.03,22 2.852,23 316,24 4.58,25 10.578,26 13.405,27 70.084,28 12.24,29 2.648,30 155.71,31 224.41,32 5273,33 2.211,34 309.567,35 0.817,37 5.144,38 12.964,39 9.141,40 2.848,41 3.155,42 2.188,43 9.203,44 27.749,45 0.983,46 8994,47 60,48 6.303,49 4.104,50 520.707,51 4928.69,52 80.876,53 18.597,54 2.02,55 130.896,56 311.146,57 3.151,58 2.332,59 7.066,60 382,61 3.294,62 3.649,63 1.799,64 1.488,65 3.689,66 -0.535,67 -0.6,68 -0.512,69 -0.535,70 6.2}
{0 CHEMBL2005631,2 2.125,3 3.667,5 13.313,6 3.878,7 3.738,8 3.935,9 3.102,10 9.128,11 3.792,12 3.813,13 0.275,14 0.009,15 22.118,16 3.854,17 3.708,18 426,19 3.798,20 449.55,21 6.283,22 3.789,23 914,24 7.901,25 18.14,26 22.311,27 124.504,28 22.028,29 8.497,30 274.913,31 378.9,32 25747,33 2.952,34 519.065,35 0.439,37 5.769,38 35.563,39 12.369,40 3.339,41 3.643,42 2.883,43 15.411,44 52.211,45 1.802,46 47666,47 132,48 10.574,49 7.544,50 1923.39,51 28900.1,52 170.226,53 30.228,54 4.559,55 220.985,56 530.963,57 3.665,58 3.097,59 6.88,60 1706,61 3.784,62 4.569,63 1.877,64 1.832,65 4.193,66 1.071,67 1.579,68 1.004,69 1.071,70 6.6}
{0 CHEMBL2005699,2 2.083,3 3.594,5 12.914,6 3.827,7 4.076,8 4.177,9 3.086,10 9.828,11 4.179,12 3.749,13 0.558,14 0.012,15 33.123,16 4.173,17 4.114,18 452,19 4.134,20 471.55,21 6.833,22 4.127,23 963,24 7.666,25 19.61,26 25.165,27 129.809,28 24.336,29 11.797,30 297.619,31 425.25,32 29365,33 2.918,34 613.251,35 0.492,37 6.188,38 40.682,39 12.338,40 3.366,41 3.74,42 2.856,43 16.63,44 59.307,45 1.844,46 52093,47 188,48 11.023,49 11.298,50 2276.93,51 35586.3,52 189.019,53 32.148,54 5.483,55 242.498,56 583.455,57 3.747,58 3.173,59 6.862,60 2507,61 3.719,62 4.996,63 1.989,64 1.784,65 4.277,66 1.265,67 1.777,68 1.259,69 1.265,70 5.3}
{0 CHEMBL2005718,1 3.123,2 1.681,3 3.296,4 1,5 10.167,6 3.512,7 3.633,8 3.842,9 2.772,10 6.97,11 3.413,12 3.918,13 0.274,14 0.014,15 20.132,16 3.522,17 3.286,18 244,19 3.747,20 365.88,21 4.943,22 3.417,23 517,24 6.19,25 14.448,26 17.906,27 95.659,28 17.019,29 5.569,30 202.122,31 286.1,32 12104,33 2.605,34 410.526,35 0.596,36 1,37 5.288,38 21.479,39 10.387,40 3.145,41 3.358,42 2.479,43 12.637,44 39.373,45 1.049,46 23122,47 84,48 9.478,49 6.004,50 969.276,51 11566.5,52 114.924,53 23.578,54 4.391,55 173.411,56 414.884,57 3.391,58 2.513,59 6.843,60 834,61 3.7,62 4.154,63 1.775,64 1.739,65 3.907,66 0.426,67 0.468,68 0.39,69 0.426,70 7.6}
{0 CHEMBL2005767,1 3.236,2 1.853,3 3.494,4 1,5 11.56,6 3.646,7 3.522,8 3.648,9 2.919,10 7.644,11 3.628,12 3.697,13 0.154,14 0.007,15 23.808,16 3.761,17 3.496,18 289,19 3.615,20 357.87,21 5.106,22 3.65,23 641,24 6.707,25 14.577,26 17.562,27 97.585,28 16.701,29 7.639,30 229.133,31 302.43,32 13014,33 2.69,34 428.167,35 0.455,37 5.41,38 22.947,39 10.311,40 3.074,41 3.449,42 2.735,43 12.565,44 36.136,45 1.221,46 23200,47 103,48 8.789,49 8.125,50 1093.8,51 13692.3,52 122.652,53 24.715,54 4.085,55 179.668,56 430.15,57 3.463,58 2.734,59 6.823,60 917,61 3.587,62 4.505,63 1.909,64 1.738,65 3.971,66 0.697,67 0.885,68 0.6,69 0.697,70 5.9}
{0 CHEMBL2005792,2 1.567,3 3.355,5 10.806,6 3.543,7 3.943,8 4.206,9 2.854,10 8.578,11 4.015,12 3.775,13 0.487,14 0.013,15 29.58,16 4.135,17 3.935,18 335,19 4.109,20 422.51,21 5.857,22 4.084,23 713,24 6.454,25 17.503,26 21.14,27 115.489,28 21.165,29 9.769,30 276.499,31 359.37,32 19579,33 2.768,34 536.444,35 0.588,37 6.011,38 31.27,39 12.144,40 3.065,41 3.599,42 2.735,43 14.52,44 49.036,45 1.411,46 34231,47 140,48 9.768,49 9.778,50 1647.61,51 22829.4,52 158.562,53 28.592,54 4.361,55 212.911,56 511.262,57 3.589,58 3.07,59 7.081,60 1781,61 3.675,62 4.892,63 1.913,64 1.784,65 4.166,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL2005828,2 2.025,3 3.566,5 12.444,6 3.751,7 3.314,8 3.537,9 3.056,10 7.193,11 3.436,12 3.779,13 0.193,14 0.009,15 14.456,16 3.529,17 3.354,18 336,19 3.415,20 359.42,21 4.587,22 3.452,23 739,24 7.206,25 14.562,26 18.803,27 103.173,28 17.218,29 5.525,30 207.46,31 305.06,32 16109,33 2.687,34 423.814,35 0.438,37 5.328,38 26.623,39 11.686,40 2.967,41 3.472,42 2.735,43 13.097,44 40.577,45 1.088,46 28508,47 118,48 8.328,49 5.439,50 1316.74,51 17509.3,52 136.301,53 26.416,54 3.673,55 182.806,56 437.807,57 3.462,58 2.939,59 6.862,60 1048,61 3.722,62 4.217,63 1.8,64 1.742,65 4.038,66 1,67 1.5,68 1,69 1,70 6.4}
{0 CHEMBL2005886,1 3.331,2 2.09,3 3.642,5 12.971,6 3.828,7 4.066,8 4.17,9 3.116,10 9.899,11 4.128,12 3.799,13 0.414,14 0.01,15 33.691,16 4.214,17 4.047,18 441,19 4.188,20 480.01,21 6.721,22 4.142,23 969,24 7.584,25 19.524,26 24.156,27 133.134,28 23.085,29 10.927,30 327.659,31 416.74,32 27261,33 3.01,34 579.258,35 0.427,37 6.044,38 38.308,39 11.977,40 3.274,41 3.735,42 2.941,43 16.78,44 49.958,45 1.888,46 48569,47 155,48 11.597,49 11.646,50 2147.57,51 32615.5,52 182.048,53 31.454,54 4.925,55 238.631,56 574.02,57 3.742,58 3.07,59 6.862,60 2214,61 3.715,62 4.968,63 1.898,64 1.818,65 4.267,66 1.231,67 1.685,68 1.149,69 1.231,70 7.3}
{0 CHEMBL2005899,2 1.149,3 2.976,5 7.913,6 3.127,7 3.264,8 3.833,9 2.442,10 6.152,11 3.615,12 3.617,13 0.173,14 0.01,15 20.946,16 3.665,17 3.483,18 182,19 3.542,20 315.41,21 4.601,22 3.608,23 364,24 5.059,25 13.992,26 17.361,27 87.641,28 17.202,29 7.363,30 189.421,31 307.93,32 7987,33 2.518,34 464.372,35 0.984,37 5.69,38 16.284,39 8.153,40 2.702,41 3.329,42 2.618,43 10.642,44 44.795,45 1.05,46 12477,47 65,48 7.411,49 6.843,50 791.186,51 8912.34,52 105.358,53 21.966,54 3.287,55 170.933,56 408.837,57 3.351,58 2.475,60 747,61 3.607,62 4.495,63 1.782,64 1.688,65 3.832,66 -0.291,67 -0.351,68 -0.271,69 -0.291,70 5}
{0 CHEMBL2005936,1 2.943,2 1.75,3 3.54,5 12.152,6 3.685,7 4.018,8 4.188,9 3.037,10 9.394,11 4.261,12 3.801,13 0.286,14 0.006,15 29.587,16 4.303,17 4.147,18 401,19 4.146,20 436.56,21 6.01,22 4.216,23 879,24 6.988,25 18.324,26 22.623,27 130.225,28 21.111,29 11.976,30 289.455,31 382.53,32 22524,33 2.909,34 536.437,35 0.476,37 5.928,38 35.796,39 12.489,40 3.276,41 3.712,42 2.882,43 16.225,44 47.539,45 1.442,46 37412,47 168,48 11.038,49 11.54,50 1945.56,51 28469.8,52 173.368,53 30.373,54 4.434,55 229.91,56 552.741,57 3.734,58 3.091,59 7.526,60 2038,61 3.819,62 4.945,63 1.984,64 1.873,65 4.243,66 1.166,67 1.654,68 1.136,69 1.166,70 6.2}
{0 CHEMBL2006010,2 1.538,3 3.351,5 10.385,6 3.527,7 3.578,8 3.729,9 2.749,10 7.177,11 3.262,12 3.704,13 0.246,14 0.011,15 7.95,16 3.251,17 3.26,18 270,19 3.769,20 401.19,21 5.122,22 3.285,23 569,24 6.344,25 14.246,26 17.397,27 89.78,28 18.554,29 3.871,30 172.77,31 293.24,32 16923,33 2.723,34 397.813,35 0.594,37 5.37,38 20.32,39 10.565,40 3.24,41 3.337,42 2.542,43 11.619,44 44.465,45 1.489,46 37675,47 80,48 7.861,49 3.973,50 1146.3,51 14428.1,52 127.536,53 25.055,54 4.137,55 167.155,56 399.618,57 3.297,58 2.743,60 940,61 3.416,62 3.893,63 1.579,64 1.47,65 3.979,66 0.289,67 0.348,68 0.182,69 0.289,70 5}
{0 CHEMBL2006113,2 2.357,3 3.711,5 13.643,6 3.893,7 3.584,8 3.797,9 3.261,10 9.388,11 3.533,12 3.655,13 0.331,14 0.013,15 16.572,16 3.603,17 3.474,18 382,19 3.583,20 404.88,21 6.911,22 3.527,23 795,24 7.776,25 16.258,26 20.596,27 102.736,28 20.613,29 5.87,30 240.101,31 344.82,32 18794,33 2.721,34 532.565,35 0.492,37 5.381,38 35.27,39 10.569,40 3.245,41 3.505,42 2.735,43 13.745,44 50.109,45 1.349,46 33858,47 138,48 9.162,49 7.112,50 1471.37,51 20473.8,52 144.211,53 27.415,54 5.462,55 198.921,56 477.126,57 3.501,58 2.983,59 6.605,60 1314,61 3.449,62 4.303,63 1.86,64 1.584,65 4.053,66 0.748,67 1.016,68 0.68,69 0.748,70 5.7}
{0 CHEMBL2006156,2 1.767,3 3.341,5 10.5,6 3.581,7 3.61,8 4.034,9 2.744,10 8.425,11 3.905,12 3.77,13 0.346,14 0.013,15 29.121,16 4.104,17 3.751,18 315,19 3.868,20 404.51,21 5.71,22 3.995,23 675,24 6.661,25 17.417,26 21.25,27 111.645,28 20.33,29 10.323,30 235.744,31 357.39,32 17549,33 2.843,34 522.447,35 0.536,37 5.676,38 29.867,39 11.247,40 3.23,41 3.602,42 2.765,43 14.436,44 46.936,45 1.66,46 28453,47 98,48 9.926,49 10.669,50 1557.84,51 21490.2,52 153.137,53 28.058,54 4.186,55 211.713,56 508.339,57 3.608,58 2.839,59 6.986,60 1412,61 3.663,62 4.817,63 1.82,64 1.61,65 4.131,66 0.813,67 1.201,68 0.804,69 0.813,70 5.4}
{0 CHEMBL2006188,2 1.791,3 3.517,5 11.633,6 3.678,7 3.883,8 3.959,9 2.933,10 10.768,11 4.131,12 3.708,13 0.308,14 0.008,15 34.496,16 4.161,17 4.004,18 349,19 3.954,20 404.56,21 7.831,22 4.051,23 731,24 7.005,25 17.391,26 21.347,27 121.018,28 21.817,29 12.033,30 312.253,31 389.16,32 17872,33 2.974,34 559.638,35 0.585,37 6.014,38 32.667,39 10.172,40 3.098,41 3.626,42 2.884,43 14.618,44 55.059,45 1.452,46 28630,47 130,48 10.053,49 11.496,50 1599.73,51 22723.5,52 154.704,53 28.44,54 5.823,55 224.702,56 540.033,57 3.659,58 2.778,60 1668,61 3.651,62 4.996,63 1.911,64 1.736,65 4.124,66 1,67 1.5,68 0.983,69 1,70 5}
{0 CHEMBL2006237,1 3.228,2 2.126,3 3.677,5 13.345,6 3.87,7 3.604,8 3.669,9 3.142,10 8.908,11 3.787,12 3.727,13 0.2,14 0.007,15 23.321,16 3.846,17 3.685,18 387,19 3.656,20 393.55,21 6.092,22 3.731,23 843,24 7.771,25 16.688,26 20.217,27 115.076,28 19.832,29 6.974,30 282.457,31 354.39,32 18077,33 2.866,34 503.407,35 0.415,37 5.569,38 32.961,39 11.13,40 3.166,41 3.582,42 2.941,43 14.097,44 45.066,45 1.474,46 28677,47 147,48 10.007,49 7.981,50 1571.25,51 22424.4,52 150.728,53 28.186,54 4.755,55 210.773,56 506.047,57 3.598,58 3.019,59 6.862,60 1439,61 3.65,62 4.624,63 1.948,64 1.795,65 4.107,66 1,67 1.425,68 0.965,69 1,70 5}
{0 CHEMBL2006263,2 1.44,3 3.283,5 9.957,6 3.397,7 3.272,8 3.578,9 2.736,10 5.707,11 3.268,12 3.717,13 0.254,14 0.013,15 15.7,16 3.423,17 3.175,18 229,19 3.401,20 328.43,21 3.863,22 3.317,23 488,24 5.706,25 13.554,26 16.863,27 89.947,28 15.566,29 5.103,30 169.866,31 274.55,32 9422,33 2.687,34 386.868,35 0.647,37 5.155,38 17.467,39 10.174,40 2.819,41 3.345,42 2.735,43 11.669,44 36.936,45 1,46 16225,47 79,48 8.467,49 5.636,50 859.408,51 9634.06,52 107.332,53 22.478,54 3.222,55 164.949,56 394.236,57 3.387,58 2.663,60 675,61 3.571,62 4.017,63 1.776,64 1.596,65 3.862,66 -0.173,67 -0.213,68 -0.163,69 -0.173,70 6.6}
{0 CHEMBL2006276,2 1.462,3 3.224,5 9.48,6 3.361,7 3.268,8 3.653,9 2.668,10 6.551,11 3.382,12 3.72,13 0.235,14 0.012,15 14.843,16 3.603,17 3.308,18 237,19 3.451,20 332.39,21 4.097,22 3.511,23 521,24 5.659,25 13.537,26 17.225,27 94.534,28 15.633,29 5.234,30 202.905,31 290.3,32 11180,33 2.687,34 391.692,35 0.599,37 5.298,38 20.848,39 11.141,40 2.949,41 3.409,42 2.702,43 12.242,44 35.818,45 1.35,46 19649,47 91,48 7.809,49 6.601,50 1008.34,51 11833,52 118.845,53 23.932,54 3.073,55 169.347,56 404.967,57 3.402,58 2.802,59 5.38,60 860,61 3.693,62 4.207,63 1.892,64 1.783,65 3.971,66 0.683,67 0.768,68 0.604,69 0.683,70 5.9}
{0 CHEMBL2006299,2 1.951,3 3.511,5 11.583,6 3.664,7 3.249,8 3.348,9 2.939,10 7.646,11 3.343,12 3.687,13 0.135,14 0.007,15 12.191,16 3.417,17 3.282,18 278,19 3.333,20 318.4,21 5.119,22 3.345,23 595,24 6.779,25 13.399,26 16.778,27 93.59,28 16.067,29 4.809,30 199.722,31 297.96,32 11412,33 2.687,34 419.586,35 0.51,37 5.253,38 23.389,39 9.967,40 2.887,41 3.396,42 2.735,43 11.758,44 39.584,45 1.048,46 19284,47 88,48 7.677,49 5.571,50 1011.26,51 12461.2,52 116.83,53 24.034,54 4.149,55 172.744,56 413.256,57 3.42,58 2.45,60 832,61 3.638,62 4.058,63 1.837,64 1.717,65 3.913,66 0.47,67 0.564,68 0.45,69 0.47,70 5.3}
{0 CHEMBL2006439,1 3.172,2 1.444,3 3.2,4 1,5 9.217,6 3.317,7 3.333,8 3.83,9 2.666,10 6.363,11 3.523,12 3.711,13 0.14,14 0.008,15 20.14,16 3.639,17 3.365,18 212,19 3.645,20 327.85,21 4.085,22 3.513,23 473,24 5.481,25 13.475,26 16.148,27 93.388,28 14.766,29 6.164,30 192.15,31 272.25,32 8708,33 2.743,34 387.037,35 0.586,36 1,37 5.083,38 17.361,39 10.498,40 2.983,41 3.377,42 2.597,43 11.582,44 31.789,45 1.035,46 14170,47 75,48 8.408,49 6.06,50 839.316,51 9385.84,52 106.676,53 22.408,54 3.133,55 166.079,56 396.993,57 3.403,58 2.513,59 6.843,60 697,61 3.605,62 4.204,63 1.791,64 1.72,65 3.892,66 0.488,67 0.721,68 0.457,69 0.488,70 6.9}
{0 CHEMBL2006450,1 3.132,2 1.49,3 3.269,4 1,5 9.913,6 3.394,7 3.34,8 3.833,9 2.752,10 7.008,11 3.371,12 3.608,13 0.222,14 0.012,15 17.105,16 3.51,17 3.26,18 228,19 3.563,20 328.83,21 4.819,22 3.409,23 486,24 5.698,25 13.522,26 16.734,27 91.01,28 15.816,29 5.124,30 202.122,31 279.76,32 9206,33 2.622,34 402.42,35 0.658,36 1,37 5.25,38 19.085,39 10.261,40 3.128,41 3.34,42 2.522,43 11.458,44 36.794,45 1.039,46 15438,47 96,48 7.948,49 5.631,50 858.609,51 9703.3,52 107.374,53 22.513,54 3.646,55 167.747,56 401.063,57 3.363,58 2.513,59 6.843,60 735,61 3.566,62 4.119,63 1.859,64 1.707,65 3.87,66 0.245,67 0.254,68 0.241,69 0.245,70 5.3}
{0 CHEMBL2006456,1 3.19,2 1.954,3 3.565,4 1,5 12.357,6 3.75,7 3.618,8 4.026,9 3.084,10 8.666,11 3.843,12 3.763,13 0.218,14 0.009,15 32.037,16 4.027,17 3.672,18 346,19 3.859,20 398.99,21 6.026,22 3.849,23 754,24 7.136,25 17.13,26 20.01,27 115.233,28 19.471,29 9.306,30 270.465,31 352.45,32 15270,33 2.866,34 516.438,35 0.463,36 1,37 5.474,38 29.122,39 10.921,40 3.239,41 3.586,42 2.696,43 13.869,44 42.635,45 1.457,46 23307,47 132,48 10.43,49 11.182,50 1417.48,51 19070,52 142.224,53 27.062,54 4.782,55 211.243,56 507.193,57 3.627,58 2.979,59 6.843,60 1298,61 3.614,62 4.706,63 1.96,64 1.731,65 4.073,66 1,67 1,68 0.982,69 1,70 6.9}
{0 CHEMBL2006481,1 2.908,2 1.545,3 3.242,5 9.364,6 3.367,7 2.974,8 3.385,9 2.698,10 5.577,11 3.111,12 3.654,13 0.113,14 0.008,15 8.976,16 3.16,17 3.04,18 206,19 3.181,20 296.36,21 3.429,22 3.139,23 463,24 5.615,25 12.08,26 14.941,27 82.672,28 13.527,29 3.555,30 177.421,31 246.32,32 8272,33 2.522,34 347.073,35 0.55,37 4.836,38 16.818,39 10.176,40 2.866,41 3.305,42 2.395,43 10.81,44 30.027,45 1.077,46 13881,47 66,48 7.506,49 3.545,50 777.686,51 8484.39,52 101.247,53 21.761,54 2.56,55 149.352,56 356.179,57 3.306,58 2.517,59 7.286,60 584,61 3.586,62 3.801,63 1.583,64 1.485,65 3.847,66 0.553,67 0.782,68 0.564,69 0.553,70 5}
{0 CHEMBL2006493,2 1.18,3 2.854,5 7.15,6 2.985,7 2.658,8 3.193,9 2.285,10 4.29,11 2.188,12 3.396,13 0.165,14 0.021,15 9.559,16 2.715,17 2.304,18 143,19 3.168,20 282.23,21 2.806,22 2.772,23 303,24 4.486,25 10.212,26 11.991,27 65.454,28 13.079,29 2.913,30 130.127,31 231.52,32 6999,33 2.262,34 286.212,35 0.866,37 5.043,38 12.6,39 8.707,40 2.781,41 3.143,42 2.001,43 8.165,44 29.831,45 1.013,46 14450,47 42,48 6.079,49 3.629,50 567.087,51 5518.51,52 85.99,53 19.221,54 2.1,55 120.902,56 286.761,57 3.1,58 2.453,60 380,61 3.197,62 3.525,63 1.388,64 1.281,65 3.73,66 -0.435,67 -0.559,68 -0.439,69 -0.435,70 5}
{0 CHEMBL2006564,1 3.085,2 1.692,3 3.357,5 10.5,6 3.572,7 3.34,8 3.638,9 2.749,10 7.021,11 3.461,12 3.722,13 0.191,14 0.009,15 15.735,16 3.598,17 3.385,18 273,19 3.427,20 351.46,21 4.576,22 3.492,23 598,24 6.522,25 14.783,26 18.096,27 99.02,28 16.947,29 4.627,30 227.556,31 302.49,32 12930,33 2.692,34 432.966,35 0.493,37 5.206,38 24.568,39 10.523,40 3.104,41 3.448,42 2.735,43 12.635,44 38.161,45 1.143,46 21365,47 86,48 8.766,49 5.738,50 1160.81,51 14755,52 128.049,53 25.237,54 3.87,55 181.996,56 435.831,57 3.447,58 2.916,59 7.576,60 972,61 3.708,62 4.258,63 1.797,64 1.557,65 3.991,66 0.818,67 1.103,68 0.748,69 0.818,70 5.8}
{0 CHEMBL2006580,2 1.167,3 2.883,5 7.389,6 3.008,7 2.678,8 3.32,9 2.261,10 4.706,11 2.538,12 3.499,13 0.141,14 0.02,15 10.602,16 3.083,17 2.383,18 133,19 3.208,20 277.75,21 3.055,22 2.921,23 290,24 4.536,25 10.664,26 13.389,27 73.29,28 11.687,29 2.997,30 114.211,31 203.41,32 5379,33 2.203,34 300.966,35 0.77,37 4.471,38 10.222,39 9.628,40 2.687,41 3.077,42 2.023,43 9.48,44 25.729,45 0.509,46 10458,47 52,48 6.434,49 3.821,50 460.155,51 4276.5,52 75.522,53 17.871,54 2.291,55 127.05,56 301.761,57 3.111,58 2.072,59 6.823,60 352,61 3.156,62 3.272,63 1.308,64 1.369,65 3.64,66 -0.573,67 -0.743,68 -0.381,69 -0.573,70 5.7}
{0 CHEMBL2006631,2 1.429,3 3.229,5 9.5,6 3.37,7 3.798,8 3.903,9 2.641,10 6.969,11 3.764,12 3.789,13 0.381,14 0.013,15 24.503,16 3.919,17 3.654,18 266,19 3.779,20 393.5,21 4.615,22 3.79,23 574,24 5.798,25 16.248,26 20.139,27 109.227,28 18.541,29 8.793,30 222.801,31 341.2,32 14579,33 2.775,34 458.028,35 0.62,37 5.616,38 21.571,39 11.844,40 3.087,41 3.553,42 2.775,43 14.164,44 42.22,45 1.503,46 25788,47 86,48 10.151,49 9.89,50 1273.95,51 16055.8,52 137.398,53 26.027,54 3.291,55 196.865,56 472.11,57 3.593,58 2.837,59 5.38,60 1078,61 3.749,62 4.553,63 1.878,64 1.818,65 4.069,66 1,67 1.486,68 1.005,69 1,70 5}
{0 CHEMBL2006674,2 1.493,3 3.321,5 10.103,6 3.48,7 3.947,8 4.039,9 2.728,10 9.077,11 4.22,12 3.74,13 0.36,14 0.009,15 38.121,16 4.213,17 4.082,18 293,19 4.045,20 396.55,21 6.285,22 4.12,23 630,24 6.253,25 16.79,26 20.217,27 114.468,28 20.081,29 12.19,30 311.72,31 354.82,32 15370,33 2.922,34 527.048,35 0.574,37 5.99,38 27.608,39 10.812,40 3.192,41 3.588,42 2.843,43 14.19,44 44.355,45 1.359,46 24769,47 108,48 10.36,49 10.345,50 1412.83,51 18942,52 145.562,53 27.167,54 4.371,55 210.903,56 506.362,57 3.609,58 2.925,59 6.843,60 1381,61 3.712,62 5.097,63 1.923,64 1.775,65 4.108,66 1,67 1.132,68 0.933,69 1,70 5.3}
{0 CHEMBL2006715,2 2.698,3 3.869,5 15.364,6 4.108,7 4.416,8 4.566,9 3.35,10 11.779,11 4.356,12 3.913,13 0.563,14 0.009,15 33.69,16 4.44,17 4.308,18 676,19 4.497,20 607.69,21 7.527,22 4.381,23 1509,24 9.191,25 23.815,26 28.821,27 162.495,28 28.116,29 12.674,30 380.918,31 490.59,32 59235,33 3.209,34 648.566,35 0.318,37 6.251,38 60.645,39 16.345,40 3.614,41 3.954,42 3.047,43 21.073,44 60.164,45 2.405,46 113709,47 231,48 14.646,49 13.661,50 3885.7,51 72120.8,52 255.632,53 38.795,54 5.569,55 285.286,56 687.857,57 3.957,58 3.403,59 7.854,60 4602,61 3.852,62 5.056,63 1.948,64 1.868,65 4.53,66 1.797,67 2.405,68 1.678,69 1.797,70 7}
{0 CHEMBL2006765,1 2.862,2 2.003,3 3.552,4 1,5 12.464,6 3.756,7 3.486,8 3.889,9 3.071,10 8.591,11 3.557,12 3.587,13 0.247,14 0.011,15 21.662,16 3.69,17 3.486,18 349,19 3.932,20 392.43,21 6.173,22 3.685,23 729,24 7.196,25 15.022,26 17.648,27 100.901,28 20.12,29 6.892,30 237.556,31 322.06,32 18707,33 2.687,34 449.902,35 0.542,37 5.75,38 31.061,39 10.523,40 3.144,41 3.45,42 2.7,43 12.207,44 49.839,45 1.224,46 35067,47 144,48 8.665,49 6.87,50 1419.71,51 19325.8,52 142.55,53 27.07,54 5.448,55 186.19,56 446.063,57 3.42,58 2.969,59 6.605,60 1328,61 3.465,62 4.499,63 1.857,64 1.632,65 4.053,66 0.938,67 1.203,68 0.858,69 0.938,70 6.2}
{0 CHEMBL2006778,1 3.033,2 1.797,3 3.349,4 1,5 10.519,6 3.493,7 3.609,8 4.041,9 2.89,10 6.874,11 3.661,12 3.629,13 0.392,14 0.015,15 21.204,16 3.788,17 3.557,18 284,19 3.893,20 380.48,21 4.541,22 3.71,23 614,24 6.086,25 15.577,26 18.612,27 109.275,28 17.835,29 7.603,30 228.705,31 312.49,32 14221,33 2.795,34 426.688,35 0.583,37 5.651,38 25.029,39 12.433,40 3.12,41 3.504,42 2.793,43 13.017,44 40.125,45 1.177,46 25548,47 114,48 9.203,49 7.542,50 1226.03,51 15220.1,52 132.271,53 25.564,54 3.155,55 187.272,56 448.704,57 3.536,58 3.057,59 7.545,60 1087,61 3.529,62 4.41,63 1.804,64 1.605,65 4.033,66 0.749,67 1.057,68 0.669,69 0.749,70 8.5}
{0 CHEMBL2006785,2 1.221,3 3.098,5 8.783,6 3.233,7 3.448,8 3.878,9 2.496,10 6.387,11 3.375,12 3.873,13 0.215,14 0.012,15 11.291,16 3.498,17 3.23,18 202,19 3.752,20 361.26,21 4.472,22 3.406,23 429,24 5.251,25 14.312,26 17.914,27 94.863,28 16.104,29 4.226,30 153.71,31 286.2,32 9840,33 2.799,34 397.525,35 0.741,37 5.097,38 15.928,39 10.186,40 3.158,41 3.336,42 2.675,43 11.993,44 36.661,45 1.605,46 18788,47 83,48 8.268,49 4.344,50 817.882,51 9077.18,52 105.85,53 22.143,54 3.015,55 167.768,56 401.113,57 3.393,58 2.69,59 7.05,60 728,61 3.448,62 3.829,63 1.588,64 1.547,65 3.863,66 0.15,67 0.191,68 0.088,69 0.15,70 5}
{0 CHEMBL2006836,2 1.841,3 3.516,5 12.294,6 3.72,7 4.061,8 4.221,9 3.048,10 7.93,11 3.981,12 3.779,13 0.578,14 0.013,15 25.383,16 4.089,17 3.942,18 418,19 4.07,20 451.47,21 5.024,22 4.05,23 918,24 7.067,25 18.143,26 24.146,27 123.06,28 21.542,29 9.836,30 269.784,31 386.22,32 27315,33 2.883,34 533.617,35 0.477,37 6.224,38 33.488,39 13.876,40 3.228,41 3.678,42 2.812,43 16.312,44 49.961,45 2.117,46 52012,47 163,48 10.294,49 9.354,50 2086.73,51 30451.4,52 179.713,53 30.983,54 3.308,55 219.657,56 527.724,57 3.661,58 3.344,59 7.735,60 1960,61 3.756,62 4.793,63 1.94,64 1.855,65 4.261,66 1.333,67 1.942,68 1.325,69 1.333,70 5}
{0 CHEMBL2007002,1 2.89,2 1.786,3 3.429,5 10.778,6 3.566,7 3.563,8 3.793,9 2.908,10 7.232,11 3.631,12 3.813,13 0.336,14 0.012,15 18.233,16 3.735,17 3.565,18 291,19 3.703,20 359.41,21 4.629,22 3.698,23 631,24 6.392,25 14.562,26 18.803,27 102.25,28 17.28,29 6.66,30 222.705,31 309.15,32 14627,33 2.687,34 436.632,35 0.529,37 5.55,38 25.306,39 11.702,40 3.022,41 3.489,42 2.735,43 13.152,44 40.182,45 1.519,46 25938,47 104,48 8.374,49 6.259,50 1251.51,51 15937.9,52 133.595,53 25.87,54 3.428,55 182.806,56 437.807,57 3.487,58 2.531,59 6.843,60 1130,61 3.776,62 4.436,63 1.867,64 1.775,65 4.038,66 1,67 1.5,68 1,69 1,70 7.9}
{0 CHEMBL2007009,2 1.37,3 3.109,5 8.92,6 3.21,7 3.268,8 3.886,9 2.661,10 5.879,11 3.427,12 3.731,13 0.213,14 0.013,15 18.445,16 3.668,17 3.307,18 223,19 3.705,20 355.8,21 3.797,22 3.577,23 485,24 5.133,25 14.281,26 18.215,27 94.301,28 16.148,29 6.307,30 194.621,31 288.64,32 10971,33 2.725,34 406.452,35 0.717,37 5.391,38 18.467,39 11.082,40 3.032,41 3.393,42 2.626,43 12.296,44 35.648,45 1.416,46 20320,47 86,48 7.961,49 7.524,50 963.054,51 10880.3,52 116.658,53 23.406,54 2.434,55 168.217,56 402.209,57 3.385,58 2.948,59 7.066,60 814,61 3.609,62 4.248,63 1.734,64 1.557,65 3.96,66 0.484,67 0.685,68 0.49,69 0.484,70 5.2}
{0 CHEMBL2007044,1 3.19,2 2.321,3 3.609,5 12.679,6 3.782,7 3.533,8 3.643,9 3.115,10 7.79,11 3.792,12 3.668,13 0.361,14 0.013,15 18.561,16 3.797,17 3.669,18 355,19 3.617,20 367.49,21 5.048,22 3.707,23 760,24 7.229,25 16.081,26 19.51,27 113.013,28 18.145,29 7.516,30 243.611,31 347.64,32 15863,33 2.851,34 477.509,35 0.473,37 5.463,38 34.25,39 12.149,40 3.108,41 3.558,42 2.845,43 13.728,44 42.658,45 1.827,46 25311,47 126,48 9.514,49 6.588,50 1429.55,51 19182,52 142.294,53 27.067,54 3.501,55 200.663,56 481.379,57 3.59,58 2.961,59 7.644,60 1274,61 3.602,62 4.479,63 1.928,64 1.688,65 4.074,66 0.966,67 1.45,68 0.932,69 0.966,70 6.3}
{0 CHEMBL2007064,1 3.266,2 1.448,3 3.167,4 1,5 9.304,6 3.338,7 3.064,8 3.699,9 2.703,10 6.051,11 3.446,12 3.491,13 0.141,14 0.009,15 18.06,16 3.593,17 3.301,18 214,19 3.372,20 310.38,21 4.095,22 3.514,23 453,24 5.547,25 13.065,26 16.56,27 88.378,28 15.566,29 6.346,30 204.15,31 288.33,32 9156,33 2.624,34 401.064,35 0.686,37 5.352,38 17.947,39 9.843,40 2.912,41 3.357,42 2.641,43 10.969,44 36.797,45 1.253,46 15846,47 77,48 7.494,49 6.56,50 844.44,51 9467.38,52 106.838,53 22.357,54 2.946,55 163.411,56 390.482,57 3.375,58 2.674,59 7.695,60 696,61 3.404,62 4.342,63 1.799,64 1.655,65 3.863,66 -0.004,67 -0.004,68 -0.004,69 -0.004,70 6.8}
{0 CHEMBL2007073,2 2.117,3 3.66,5 13.556,6 3.858,7 4.155,8 4.224,9 3.183,10 11.044,11 4.335,12 3.777,13 0.653,14 0.013,15 41.826,16 4.326,17 4.249,18 488,19 4.239,20 485.64,21 7.848,22 4.256,23 1038,24 7.836,25 20.708,26 25.709,27 139.485,28 25.582,29 13.12,30 348.389,31 449.61,32 29426,33 3.166,34 656.006,35 0.486,37 6.249,38 42.231,39 12.513,40 3.369,41 3.794,42 3.035,43 17.257,44 61.881,45 1.804,46 48389,47 215,48 11.919,49 12.807,50 2430.84,51 39002.9,52 196.37,53 32.931,54 6.203,55 260.614,56 627.658,57 3.819,58 3.076,59 6.862,60 2742,61 3.738,62 5.186,63 1.992,64 1.784,65 4.307,66 1.32,67 1.713,68 1.276,69 1.32,70 5.3}
{0 CHEMBL2007124,2 2.123,3 3.602,5 12.556,6 3.798,7 3.378,8 3.553,9 3.087,10 7.644,11 3.279,12 3.667,13 0.308,14 0.014,15 10.893,16 3.337,17 3.274,18 339,19 3.611,20 374.35,21 5.288,22 3.35,23 715,24 7.422,25 13.671,26 16.941,27 93.261,28 18.68,29 4.564,30 193.367,31 314.47,32 19364,33 2.687,34 409.598,35 0.49,37 5.459,38 27.893,39 9.919,40 2.959,41 3.392,42 2.624,43 11.597,44 47.392,45 1.189,46 40151,47 117,48 7.726,49 4.615,50 1333.06,51 18049.7,52 137.138,53 26.536,54 4.96,55 170.743,56 408.372,57 3.351,58 2.931,60 1126,61 3.553,62 4.07,63 1.76,64 1.644,65 4.017,66 1,67 1.338,68 0.982,69 1,70 5.3}
{0 CHEMBL2007266,1 2.989,2 2.953,3 3.911,4 1,5 16.081,6 4.165,7 4.01,8 4.075,9 3.362,10 11.072,11 4.084,12 3.877,13 0.335,14 0.008,15 26.926,16 4.079,17 4.016,18 595,19 3.979,20 498.61,21 7.442,22 4.013,23 1298,24 9.409,25 20.293,26 24.907,27 142.987,28 24.87,29 10.104,30 350.49,31 431.99,32 38485,33 3.049,34 595.36,35 0.339,37 5.91,38 56.995,39 12.867,40 3.393,41 3.801,42 2.997,43 17.564,44 57.096,45 1.853,46 67731,47 207,48 11.925,49 9.786,50 2774.21,51 48085.7,52 208.366,53 34.592,54 5.791,55 254.289,56 612.226,57 3.804,58 3.259,59 7.286,60 2966,61 3.803,62 4.823,63 1.926,64 1.788,65 4.347,66 1.368,67 1.883,68 1.331,69 1.368,70 5.3}
{0 CHEMBL2007296,2 2.041,3 3.65,5 12.889,6 3.792,7 3.45,8 3.624,9 3.134,10 9.224,11 3.707,12 3.688,13 0.209,14 0.009,15 21.768,16 3.825,17 3.583,18 348,19 3.563,20 360.49,21 6.481,22 3.693,23 738,24 7.306,25 15.683,26 19.062,27 107.281,28 18.97,29 8.13,30 255.784,31 349.86,32 14612,33 2.687,34 502.001,35 0.506,37 5.52,38 29.235,39 10.183,40 3.052,41 3.539,42 2.735,43 13.169,44 47.259,45 1.134,46 23159,47 125,48 9.212,49 9.129,50 1331.12,51 17857.5,52 136.738,53 26.526,54 5.101,55 201.521,56 483.472,57 3.58,58 2.543,60 1182,61 3.639,62 4.546,63 1.896,64 1.718,65 4.024,66 1,67 1.428,68 0.983,69 1,70 5}
{0 CHEMBL2007336,2 1.235,3 3.022,5 7.842,6 3.102,7 2.6,8 3.062,9 2.484,10 4.66,11 2.928,12 3.401,13 0.143,14 0.014,15 9.218,16 3.156,17 2.789,18 149,19 2.906,20 247.31,21 2.848,22 3.042,23 321,24 4.77,25 10.629,26 13.242,27 75.518,28 11.613,29 3.753,30 148.49,31 228.91,32 5168,33 2.384,34 317.521,35 0.74,37 4.679,38 12.05,39 10.202,40 2.701,41 3.205,42 2.415,43 9.237,44 27.803,45 0.653,46 8422,47 45,48 6.201,49 4.212,50 530.452,51 5118.24,52 81.681,53 18.817,54 2.253,55 136.104,56 323.854,57 3.245,58 2.41,60 398,61 3.375,62 3.706,63 1.677,64 1.465,65 3.693,66 -0.618,67 -0.927,68 -0.603,69 -0.618,70 5.9}
{0 CHEMBL2007372,2 1.567,3 3.355,5 10.806,6 3.543,7 3.938,8 4.198,9 2.854,10 8.578,11 4.06,12 3.776,13 0.487,14 0.013,15 31.116,16 4.17,17 3.962,18 335,19 4.103,20 421.53,21 5.857,22 4.104,23 713,24 6.454,25 17.594,26 21.14,27 119.22,28 21.165,29 10.145,30 283.71,31 361.58,32 19197,33 2.768,34 538.482,35 0.588,37 6.012,38 31.27,39 12.144,40 3.101,41 3.607,42 2.735,43 14.52,44 49.036,45 1.373,46 32931,47 140,48 9.906,49 9.686,50 1647.61,51 22829.4,52 158.562,53 28.592,54 4.361,55 215.709,56 518.09,57 3.605,58 3.072,59 7.081,60 1781,61 3.676,62 4.932,63 1.928,64 1.787,65 4.166,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL2007375,2 1.63,3 3.433,5 11,6 3.604,7 3.469,8 3.684,9 2.89,10 7.554,11 3.455,12 3.551,13 0.275,14 0.011,15 10.951,16 3.466,17 3.433,18 297,19 3.719,20 370.36,21 5.188,22 3.477,23 623,24 6.613,25 14.055,26 16.941,27 93.775,28 18.542,29 4.742,30 201.367,31 309.44,32 16977,33 2.643,34 415.147,35 0.579,37 5.489,38 23.202,39 10.939,40 3.14,41 3.402,42 2.594,43 11.652,44 47.034,45 1.444,46 33402,47 107,48 7.804,49 4.924,50 1264.89,51 16492,52 134.599,53 25.975,54 4.483,55 173.411,56 414.884,57 3.37,58 2.834,60 1104,61 3.513,62 4.165,63 1.744,64 1.585,65 4.019,66 0.901,67 1.297,68 0.878,69 0.901,70 5.3}
{0 CHEMBL2007421,1 2.807,2 1.942,3 3.57,5 12.148,6 3.728,7 3.732,8 3.9,9 3.087,10 8.611,11 3.558,12 3.828,13 0.324,14 0.012,15 20.487,16 3.566,17 3.491,18 328,19 3.773,20 391.88,21 6.215,22 3.537,23 690,24 7.041,25 15.75,26 19.018,27 102.069,28 19.488,29 5.58,30 231.819,31 318.83,32 16552,33 2.672,34 472.897,35 0.536,37 5.527,38 27.169,39 10.065,40 3.145,41 3.423,42 2.618,43 12.797,44 47.115,45 1.446,46 30379,47 113,48 8.679,49 5.285,50 1308.45,51 17371,52 135.951,53 26.317,54 5.357,55 189.328,56 453.721,57 3.407,58 2.978,59 6.555,60 1191,61 3.595,62 4.309,63 1.786,64 1.62,65 4.017,66 0.735,67 1.069,68 0.715,69 0.735,70 5.3}
{0 CHEMBL2007479,2 1.535,3 3.161,5 9.053,6 3.273,7 2.601,8 3.322,9 2.721,10 6.664,11 3.029,12 3.49,13 0.057,14 0.006,15 11.626,16 3.237,17 2.865,18 172,19 2.946,20 275.41,21 4.912,22 3.086,23 353,24 5.23,25 11.666,26 14.018,27 82.218,28 14.003,29 4.049,30 162.608,31 248.7,32 5288,33 2.433,34 364.799,35 0.813,37 4.842,38 15.202,39 8.049,40 2.876,41 3.185,42 2.346,43 9.628,44 33.708,45 0.831,46 7934,47 72,48 7.136,49 4.88,50 559.716,51 5544.11,52 83.095,53 19.211,54 3.536,55 148.222,56 353.422,57 3.255,58 2.162,59 6.804,60 463,61 3.516,62 3.917,63 1.608,64 1.466,65 3.666,66 -0.651,67 -0.773,68 -0.572,69 -0.651,70 5.3}
{0 CHEMBL2007559,2 2.003,3 3.552,5 12.464,6 3.756,7 3.581,8 4.058,9 3.071,10 8.846,11 3.604,12 3.609,13 0.247,14 0.011,15 23.744,16 3.734,17 3.495,18 349,19 3.965,20 409.48,21 6.476,22 3.7,23 729,24 7.196,25 15.747,26 18.002,27 104.774,28 20.499,29 8.049,30 230.574,31 329.57,32 19066,33 2.722,34 461.598,35 0.542,37 5.728,38 31.061,39 10.523,40 3.158,41 3.471,42 2.726,43 12.661,44 49.839,45 1.224,46 36329,47 144,48 9.446,49 7.757,50 1419.71,51 19325.8,52 142.55,53 27.07,54 5.636,55 190.526,56 456.645,57 3.478,58 2.966,59 6.605,60 1328,61 3.465,62 4.476,63 1.824,64 1.631,65 4.053,66 0.938,67 1.203,68 0.833,69 0.938,70 5.3}
{0 CHEMBL2007574,1 3.07,2 1.024,3 2.744,4 1,5 6.412,6 2.822,7 1.987,8 3.252,9 2.184,10 3.893,11 1.968,12 3.354,13 0.041,14 0.014,15 6.332,16 2.575,17 1.807,18 109,19 2.793,20 245.69,21 2.372,22 2.474,23 236,24 4.07,25 9.44,26 12.328,27 66.881,28 10.355,29 1.536,30 114.096,31 180.81,32 4253,33 2.108,34 259.769,35 0.889,36 1,37 3.964,38 8.574,39 9.633,40 2.619,41 2.987,42 1.793,43 8.526,44 23.611,45 0.211,46 7915,47 34,48 5.342,49 2.175,50 383.753,51 3381.24,52 68.68,53 16.701,54 1.805,55 115.919,56 274.601,57 2.969,58 2.374,59 6.843,60 285,61 3.217,62 2.91,63 1.523,64 1.384,65 3.586,66 -0.746,67 -0.947,68 -0.644,69 -0.746,70 6.4}
{0 CHEMBL2007592,2 1.278,3 3.057,5 8.391,6 3.153,7 3.145,8 3.566,9 2.525,10 5,11 3.342,12 3.686,13 0.079,14 0.005,15 12.84,16 3.503,17 3.192,18 193,19 3.457,20 322.42,21 2.922,22 3.422,23 444,24 4.94,25 13.19,26 15.742,27 88.206,28 13.44,29 5.088,30 169.995,31 258.34,32 8316,33 2.663,34 340.979,35 0.632,37 5.064,38 16.628,39 11.055,40 2.923,41 3.388,42 2.616,43 11.718,44 28.459,45 1.24,46 14095,47 71,48 8.615,49 5.273,50 797.609,51 8525.64,52 104.395,53 21.917,54 1.994,55 155.758,56 371.811,57 3.424,58 2.688,59 7.67,60 632,61 3.535,62 3.971,63 1.68,64 1.661,65 3.909,66 0.763,67 1.104,68 0.727,69 0.763,70 5.2}
{0 CHEMBL2007603,2 1.488,3 3.289,5 9.76,6 3.471,7 3.302,8 3.558,9 2.661,10 6.559,11 3.174,12 3.506,13 0.23,14 0.011,15 7.686,16 3.148,17 3.189,18 244,19 3.602,20 350.3,21 4.452,22 3.215,23 517,24 6.173,25 12.433,26 14.656,27 80.387,28 16.969,29 3.81,30 172.77,31 268.89,32 14683,33 2.61,34 357.843,35 0.597,37 5.281,38 19.139,39 10.432,40 2.909,41 3.291,42 2.526,43 10.22,44 41.858,45 1.189,46 31280,47 70,48 6.993,49 3.535,50 1041.29,51 12817.5,52 121.005,53 24.256,54 3.971,55 151.687,56 361.877,57 3.229,58 2.826,60 862,61 3.379,62 3.884,63 1.613,64 1.472,65 3.944,66 0.131,67 0.162,68 0.12,69 0.131,70 5.3}
{0 CHEMBL202721,2 3.104,3 4.022,5 17.237,6 4.232,7 4.015,8 4.152,9 3.501,10 12.807,11 4.168,12 3.789,13 0.344,14 0.008,15 32.119,16 4.248,17 4.075,18 655,19 4.081,20 513.65,21 8.789,22 4.155,23 1430,24 9.763,25 21.353,26 26.158,27 145.773,28 26.077,29 11.46,30 363.978,31 463.34,32 40718,33 3.036,34 649.528,35 0.328,37 5.889,38 61.878,39 12.929,40 3.3,41 3.837,42 2.941,43 18.691,44 59.427,45 2.158,46 69486,47 230,48 12.686,49 12.186,50 2975.43,51 53062.3,52 216.385,53 35.483,54 6.868,55 266.809,56 642.774,57 3.841,58 3.153,60 3264,61 3.79,62 4.969,63 1.979,64 1.854,65 4.378,66 1.388,67 1.589,68 1.221,69 1.388,70 5.5}
{0 CHEMBL207253,2 0.857,3 2.774,5 7,6 2.876,7 2.712,8 3.647,9 2.16,10 5.353,11 3.272,12 3.448,13 0.045,14 0.009,15 26.91,16 3.631,17 2.955,18 147,19 3.41,20 305.79,21 3.675,22 3.427,23 309,24 4.314,25 12.938,26 15.646,27 82.083,28 14.419,29 7.397,30 174.485,31 259.13,32 6194,33 2.517,34 372.477,35 0.976,37 5.142,38 13.696,39 9.298,40 2.916,41 3.244,42 2.521,43 10.33,44 31.73,45 1.287,46 10296,47 64,48 7.229,49 7.863,50 603.881,51 6141.85,52 90.926,53 19.843,54 2.227,55 151.619,56 361.711,57 3.26,58 2.612,59 7.034,60 475,61 3.424,62 4.323,63 1.741,64 1.555,65 3.778,66 -0.211,67 -0.247,68 -0.171,69 -0.211,70 5.8}
{0 CHEMBL207400,2 1.07,3 2.707,5 6.524,6 2.825,7 3.156,8 3.647,9 2.167,10 4.388,11 1.965,12 3.448,13 0.061,14 0.009,15 10.334,16 2.593,17 2.095,18 137,19 3.192,20 317.67,21 2.974,22 2.637,23 288,24 4.185,25 11.197,26 13.525,27 69.07,28 14.233,29 2.491,30 125.096,31 225.44,32 7826,33 2.378,34 308.477,35 1.016,37 5.258,38 12.154,39 9.363,40 2.765,41 3.11,42 1.945,43 8.792,44 31.776,45 1.292,46 17150,47 51,48 6.068,49 3.308,50 593.302,51 5954.24,52 90.358,53 19.66,54 1.997,55 126.437,56 300.266,57 3.04,58 2.564,59 7.081,60 446,61 3.027,62 3.233,63 1.537,64 1.472,65 3.768,66 -0.554,67 -0.632,68 -0.489,69 -0.554,70 5}
{0 CHEMBL208637,2 1.047,3 2.708,5 6.375,6 2.84,7 1.992,8 2.979,9 2.18,10 5.335,11 2.352,12 3.276,15 9.682,16 2.771,17 2.144,18 102,19 2.389,20 220.26,21 4.094,22 2.637,23 194,24 4.151,25 9.073,26 12.129,27 59.26,28 12.278,29 2.561,30 121.096,31 204.04,32 3476,33 1.976,34 306.948,35 1.388,37 4.836,38 10.75,39 7.027,40 2.586,41 2.871,42 2.007,43 7.579,44 34.231,45 0.007,46 5832,47 36,48 4.691,49 2.684,50 340.758,51 2980.82,52 63.88,53 15.952,54 3.101,55 116.906,56 277.01,57 2.848,58 1.74,60 248,61 3.253,62 3.551,63 1.696,64 1.437,65 3.47,66 -1,67 -1.361,68 -1.092,69 -1,70 5.3}
{0 CHEMBL210032,2 0.975,3 2.845,5 7.105,6 2.961,7 2.444,8 3.32,9 2.234,10 5.408,11 2.757,12 3.457,13 0.054,14 0.008,15 11.235,16 3.157,17 2.597,18 135,19 2.937,20 252.3,21 3.675,22 3.052,23 274,24 4.496,25 10.344,26 13.828,27 72.499,28 12.912,29 3.783,30 136.07,31 233.27,32 5275,33 2.289,34 331.039,35 1.018,37 5.146,38 12.875,39 8.663,40 2.696,41 3.102,42 2.186,43 9.113,44 33.31,45 0.804,46 9049,47 49,48 5.652,49 4.225,50 506.328,51 4955.92,52 80.901,53 18.609,54 2.833,55 135.103,56 321.412,57 3.107,58 2.229,60 441,61 3.311,62 3.796,63 1.697,64 1.455,65 3.665,66 -0.483,67 -0.664,68 -0.466,69 -0.483,70 5.4}
{0 CHEMBL210618,2 1.509,3 3.353,5 10.385,6 3.524,7 3.509,8 3.766,9 2.724,10 9.16,11 3.548,12 3.448,13 0.242,14 0.01,15 20.084,16 3.62,17 3.486,18 270,19 3.546,20 356.42,21 6.931,22 3.574,23 546,24 6.37,25 14.828,26 19.104,27 96.908,28 19.672,29 6.353,30 223.819,31 328.84,32 13403,33 2.839,34 480.693,35 0.74,37 5.68,38 22.615,39 9.096,40 3.102,41 3.389,42 2.691,43 12.515,44 54.953,45 1.541,46 23368,47 88,48 7.861,49 6.128,50 1145.27,51 14631.7,52 127.796,53 25.097,54 4.936,55 185.461,56 444.286,57 3.371,58 2.906,60 984,61 3.3,62 4.452,63 1.781,64 1.465,65 3.966,66 0.354,67 0.39,68 0.302,69 0.354,70 5}
{0 CHEMBL210887,2 1.379,3 3.258,5 9.52,6 3.397,7 3.518,8 3.769,9 2.661,10 7.426,11 3.561,12 3.547,13 0.211,14 0.008,15 17.042,16 3.646,17 3.494,18 238,19 3.6,20 340.37,21 5.074,22 3.597,23 501,24 5.867,25 13.254,26 17.811,27 91.076,28 17.082,29 6.263,30 206.905,31 288.28,32 12334,33 2.573,34 423.021,35 0.66,37 5.738,38 20.736,39 10.413,40 3.081,41 3.355,42 2.529,43 12.097,44 41.598,45 1.401,46 22860,47 86,48 7.718,49 6.84,50 1019.15,51 12364.7,52 119.927,53 24.065,54 3.68,55 168.476,56 402.841,57 3.34,58 2.549,59 7.034,60 915,61 3.453,62 4.377,63 1.87,64 1.651,65 3.948,66 0.798,67 1.011,68 0.755,69 0.798,70 6.7}
{0 CHEMBL210928,2 1.627,3 3.435,5 11.172,6 3.628,7 3.813,8 4.023,9 2.862,10 9.737,11 3.723,12 3.814,13 0.316,14 0.011,15 31.997,16 3.841,17 3.64,18 324,19 3.91,20 443.95,21 7.851,22 3.772,23 652,24 6.793,25 17.979,26 22.517,27 109.73,28 23.383,29 8.82,30 254.274,31 374.42,32 19169,33 2.888,34 545.662,35 0.742,37 6.036,38 26.749,39 9.292,40 3.202,41 3.513,42 2.78,43 14.782,44 65.537,45 1.908,46 36293,47 116,48 10.708,49 9.203,50 1473.02,51 20177.7,52 147.602,53 27.427,54 5.807,55 211.978,56 508.987,57 3.535,58 2.933,60 1312,61 3.658,62 4.694,63 1.775,64 1.614,65 4.064,66 0.452,67 0.501,68 0.323,69 0.452,70 5}
{0 CHEMBL210963,2 1.667,3 3.454,5 11.267,6 3.661,7 3.823,8 4.025,9 2.857,10 9.877,11 3.734,12 3.8,13 0.316,14 0.01,15 29.121,16 3.868,17 3.67,18 338,19 3.848,20 434.52,21 7.767,22 3.804,23 679,24 6.969,25 17.792,26 22.724,27 110.663,28 23.589,29 8.512,30 261.403,31 382.23,32 20646,33 2.888,34 553.859,35 0.735,37 6.138,38 28.631,39 9.51,40 3.167,41 3.533,42 2.85,43 15.031,44 69.238,45 2.246,46 38446,47 114,48 10.615,49 8.985,50 1592.7,51 22424.2,52 154.496,53 28.22,54 5.692,55 214.177,56 514.352,57 3.546,58 2.938,60 1424,61 3.66,62 4.712,63 1.781,64 1.617,65 4.098,66 0.808,67 0.997,68 0.74,69 0.808,70 5}
{0 CHEMBL211378,2 1.953,3 3.514,5 11.852,6 3.718,7 3.343,8 3.576,9 2.94,10 7.154,11 3.43,12 3.779,13 0.193,14 0.009,15 13.649,16 3.502,17 3.343,18 320,19 3.387,20 360.41,21 4.546,22 3.436,23 703,24 7.122,25 14.432,26 18.803,27 101.729,28 17.157,29 5.548,30 211.82,31 298.76,32 16307,33 2.741,34 419.698,35 0.444,37 5.263,38 26.123,39 11.695,40 2.966,41 3.45,42 2.707,43 13.097,44 40.549,45 1.24,46 29388,47 99,48 8.209,49 4.97,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.649,55 180.008,56 430.98,57 3.433,58 2.936,59 6.862,60 1035,61 3.71,62 4.172,63 1.8,64 1.742,65 4.038,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL21156,1 3.364,2 1.043,3 2.805,5 7,6 2.951,7 2.857,8 3.756,9 2.272,10 4.575,11 3.372,12 3.629,13 0.197,14 0.02,15 19.091,16 3.656,17 3.153,18 161,19 3.326,20 309.37,21 2.835,22 3.518,23 349,24 4.507,25 13.12,26 15.483,27 86.658,28 14.255,29 7.446,30 172.846,31 264.56,32 7699,33 2.499,34 361.869,35 0.824,37 5.3,38 15.418,39 11.427,40 2.834,41 3.367,42 2.618,43 10.465,44 31.457,45 1.082,46 12883,47 53,48 7.489,49 7.618,50 746.585,51 7969.82,52 102.766,53 21.416,54 2.049,55 156.017,56 372.442,57 3.379,58 2.782,59 6.899,60 503,61 3.564,62 4.37,63 1.766,64 1.644,65 3.881,66 -0.038,67 -0.051,68 -0.037,69 -0.038,70 5.3}
{0 CHEMBL213207,1 3.198,2 1.569,3 3.323,4 1,5 10.087,6 3.453,7 3.109,8 3.471,9 2.736,10 6.573,11 3.49,12 3.688,13 0.111,14 0.007,15 15.464,16 3.528,17 3.342,18 232,19 3.309,20 307.44,21 4.143,22 3.423,23 519,24 5.94,25 13.126,26 15.485,27 92.253,28 14.498,29 5.636,30 208.705,31 274.34,32 8560,33 2.736,34 391.283,35 0.517,37 5.011,38 18.688,39 10.496,40 2.866,41 3.401,42 2.637,43 11.399,44 31.966,45 1,46 12850,47 80,48 8.394,49 5.099,50 873.618,51 10005,52 108.212,53 22.756,54 3.166,55 167.339,56 400.066,57 3.433,58 2.508,59 6.843,60 704,61 3.599,62 4.239,63 1.836,64 1.735,65 3.895,66 0.604,67 0.723,68 0.564,69 0.604,70 7.7}
{0 CHEMBL213505,2 2.08,3 3.614,5 12.767,6 3.838,7 3.502,8 3.713,9 3.057,10 7.749,11 3.421,12 3.785,13 0.292,14 0.012,15 13.156,16 3.496,17 3.393,18 383,19 3.708,20 414.38,21 5.122,22 3.489,23 830,24 7.757,25 15.066,26 18.803,27 102.662,28 19.832,29 5.657,30 211.82,31 316.97,32 25229,33 2.743,34 428.199,35 0.421,37 5.505,38 30.667,39 12.01,40 3.175,41 3.486,42 2.707,43 13.097,44 47.453,45 1.539,46 52911,47 106,48 8.526,49 5.008,50 1669.73,51 24285.4,52 157.057,53 28.802,54 4.279,55 183.603,56 439.751,57 3.427,58 2.949,59 6.862,60 1440,61 3.71,62 4.217,63 1.799,64 1.742,65 4.132,66 1.064,67 1.577,68 1.003,69 1.064,70 5.9}
{0 CHEMBL215152,1 2.832,2 3.229,3 4.047,5 17.459,6 4.276,7 3.982,8 4.092,9 3.517,10 13.221,11 4.027,12 3.827,13 0.303,14 0.007,15 26.96,16 4.054,17 3.96,18 646,19 3.994,20 507.63,21 9.52,22 3.995,23 1367,24 10.066,25 20.576,26 25.167,27 139.919,28 26.642,29 8.899,30 387.673,31 445.72,32 40870,33 3.108,34 649.068,35 0.355,37 5.903,38 61.746,39 12.544,40 3.361,41 3.774,42 3.124,43 17.64,44 65.309,45 1.87,46 71439,47 236,48 12.113,49 9.258,50 2847.78,51 51192.2,52 210.706,53 34.912,54 7.782,55 259.143,56 624.07,57 3.771,58 3.232,59 6.555,60 3142,61 3.721,62 4.815,63 1.961,64 1.724,65 4.338,66 1.417,67 1.728,68 1.342,69 1.417,70 5.25}
{0 CHEMBL220057,1 2.922,2 1.959,3 3.444,5 11.37,6 3.687,7 3.323,8 3.588,9 2.852,10 7.232,11 3.464,12 3.791,13 0.195,14 0.009,15 14.632,16 3.572,17 3.364,18 307,19 3.346,20 357.45,21 4.629,22 3.47,23 675,24 7.056,25 14.784,26 18.803,27 107.698,28 17.28,29 5.805,30 227.819,31 313.57,32 15187,33 2.722,34 431.64,35 0.449,37 5.206,38 25.783,39 11.666,40 2.985,41 3.505,42 2.735,43 13.097,44 40.529,45 1.24,46 25854,47 99,48 8.577,49 6.11,50 1294.26,51 17230.3,52 135.876,53 26.316,54 3.698,55 188.402,56 451.462,57 3.519,58 2.872,59 6.823,60 1030,61 3.761,62 4.201,63 1.895,64 1.785,65 4.038,66 1,67 1.5,68 1,69 1,70 5.8}
{0 CHEMBL220241,2 3.184,3 4.13,5 18.643,6 4.368,7 4.114,8 4.316,9 3.624,10 12.879,11 4.19,12 3.814,13 0.386,14 0.008,15 32.332,16 4.259,17 4.115,18 783,19 4.203,20 570.67,21 8.623,22 4.206,23 1741,24 10.741,25 23.025,26 28.89,27 155.448,28 28.123,29 11.766,30 395.215,31 479.23,32 57837,33 3.153,34 677.629,35 0.272,37 6.052,38 67.934,39 14.161,40 3.372,41 3.895,42 3.05,43 20.568,44 62.166,45 2.17,46 104603,47 296,48 13.641,49 11.194,50 3760.76,51 73332.4,52 247.426,53 38.523,54 6.579,55 280.867,56 677.076,57 3.874,58 3.347,59 7.526,60 4070,61 3.788,62 4.996,63 1.948,64 1.826,65 4.48,66 1.561,67 1.867,68 1.391,69 1.561,70 5}
{0 CHEMBL221959,1 3.094,2 1.361,3 3.116,4 1,5 8.696,6 3.239,7 3.189,8 3.663,9 2.541,10 6.557,11 3.443,12 3.517,13 0.131,14 0.008,15 21.112,16 3.743,17 3.305,18 200,19 3.517,20 312.42,21 4.495,22 3.62,23 426,24 5.258,25 13.359,26 16.397,27 87.831,28 15.766,29 5.624,30 215.82,31 282.79,32 8585,33 2.703,34 418.027,35 0.736,37 5.493,38 16.253,39 9.091,40 3.067,41 3.324,42 2.558,43 11.113,44 36.646,45 1.512,46 14465,47 84,48 7.771,49 7.42,50 819.495,51 9094.07,52 105.892,53 22.155,54 3.02,55 166.338,56 397.625,57 3.334,58 2.485,59 6.605,60 709,61 3.418,62 4.465,63 1.709,64 1.53,65 3.866,66 0.392,67 0.523,68 0.364,69 0.392,70 5}
{0 CHEMBL223360,1 2.896,2 1.939,3 3.45,5 11.429,6 3.697,7 3.433,8 3.641,9 2.833,10 7.428,11 3.458,12 3.796,13 0.207,14 0.009,15 15.067,16 3.569,17 3.397,18 320,19 3.447,20 375.44,21 4.82,22 3.493,23 700,24 7.166,25 15.084,26 18.803,27 107.914,28 18.169,29 5.878,30 234.574,31 319.64,32 17540,33 2.723,34 434.474,35 0.448,37 5.408,38 26.857,39 11.808,40 3.048,41 3.516,42 2.735,43 13.097,44 42.749,45 1.535,46 31589,47 98,48 8.682,49 6.136,50 1397.53,51 19134.4,52 142.488,53 27.066,54 3.771,55 189.601,56 454.385,57 3.517,58 2.94,59 6.823,60 1148,61 3.761,62 4.231,63 1.895,64 1.785,65 4.07,66 1,67 1.5,68 1,69 1,70 5.15}
{0 CHEMBL223367,2 1.8,3 3.468,5 11.667,6 3.583,7 4.055,8 4.32,9 3.003,10 11.096,11 4.097,12 3.556,13 0.321,14 0.009,15 37.901,16 4.238,17 3.997,18 350,19 4.242,20 431.92,21 8.234,22 4.172,23 735,24 6.535,25 17.036,26 21.847,27 110.214,28 22.261,29 10.928,30 270.423,31 377.29,32 19431,33 3.068,34 548.6,35 0.623,37 6.183,38 23.404,39 10.392,40 3.291,41 3.549,42 2.786,43 14.89,44 55.015,45 1.976,46 35834,47 131,48 10.022,49 11.593,50 1558.72,51 21304.2,52 152.924,53 28.004,54 6.282,55 212.38,56 509.967,57 3.54,58 2.819,60 1178,61 3.553,62 5.008,63 1.812,64 1.694,65 4.127,66 0.833,67 1.159,68 0.7,69 0.833,70 6.3}
{0 CHEMBL223460,2 1.811,3 3.433,5 11.226,6 3.596,7 4.198,8 4.364,9 2.916,10 10.228,11 4.084,12 3.865,13 0.469,14 0.012,15 37.315,16 4.216,17 4.003,18 348,19 4.327,20 466.95,21 7.655,22 4.155,23 728,24 6.616,25 18.009,26 23.183,27 112.878,28 23.201,29 10.824,30 255.438,31 380.99,32 22780,33 3.072,34 538.821,35 0.628,37 6.255,38 24.302,39 10.557,40 3.299,41 3.551,42 2.786,43 15.963,44 57.919,45 2.046,46 45533,47 115,48 11.44,49 11.603,50 1671.98,51 23323.5,52 159.503,53 28.701,54 6.759,55 215.117,56 516.645,57 3.548,58 2.92,60 1308,61 3.692,62 4.981,63 1.791,64 1.701,65 4.153,66 0.834,67 1.159,68 0.694,69 0.834,70 6.8}
{0 CHEMBL225519,1 3.292,2 1.063,3 2.755,4 1,5 6.438,6 2.822,7 1.863,8 2.762,9 2.203,10 3.669,11 2.091,12 3.281,13 0.03,14 0.01,15 7.578,16 2.632,17 1.924,18 103,19 2.495,20 213.26,21 2.169,22 2.544,23 226,24 4.035,25 8.656,26 10.958,27 60.132,28 9.459,29 1.95,30 116.382,31 183.23,32 3341,33 2.106,34 250.42,35 0.869,37 4.431,38 8.531,39 8.485,40 2.602,41 2.997,42 1.975,43 7.843,44 21.774,45 0.285,46 5633,47 34,48 5.249,49 2.504,50 338.691,51 2851.37,52 63.32,53 15.919,54 1.618,55 110.513,56 261.412,57 3.001,58 1.984,59 6.862,60 228,61 3.176,62 3.344,63 1.509,64 1.363,65 3.533,66 -1,67 -1.113,68 -0.946,69 -1,70 5.5}
{0 CHEMBL226232,1 3.26,2 1.087,3 2.791,4 1,5 6.529,6 2.88,7 2.831,8 3.094,9 2.184,10 4.075,11 2.354,12 3.393,13 0.061,14 0.01,15 12.129,16 2.748,17 2.234,18 111,19 2.883,20 247.7,21 2.555,22 2.666,23 241,24 4.223,25 9.713,26 12.328,27 65.998,28 10.66,29 2.499,30 124.382,31 198.44,32 4283,33 2.163,34 271.822,35 0.839,36 1,37 4.816,38 9.612,39 8.638,40 2.624,41 3.038,42 1.979,43 8.526,44 23.696,45 0.286,46 7894,47 36,48 5.737,49 2.733,50 391.632,51 3470.3,52 69.145,53 16.823,54 1.91,55 118.846,56 281.744,57 3.043,58 2.216,59 6.862,60 279,61 3.182,62 3.403,63 1.493,64 1.36,65 3.586,66 -0.722,67 -0.97,68 -0.691,69 -0.722,70 7}
{0 CHEMBL226403,1 3.384,2 1.633,3 3.365,4 1,5 10.231,6 3.501,7 3.412,8 3.619,9 2.777,10 5.992,11 3.553,12 3.733,13 0.229,14 0.01,15 15.876,16 3.67,17 3.463,18 266,19 3.546,20 340.41,21 3.492,22 3.598,23 606,24 6.151,25 13.99,26 17.51,27 98.818,28 15.151,29 5.996,30 220.477,31 290.21,32 12805,33 2.701,34 384.101,35 0.474,37 5.333,38 21.467,39 12.588,40 2.995,41 3.492,42 2.73,43 12.776,44 33.976,45 1.398,46 22270,47 86,48 8.595,49 5.935,50 1137.9,51 13955.2,52 126.635,53 24.998,54 2.676,55 174.215,56 416.844,57 3.504,58 2.663,59 6.862,60 902,61 3.682,62 4.3,63 1.923,64 1.773,65 4.023,66 1,67 1.39,68 0.954,69 1,70 6.8}
{0 CHEMBL226471,1 3.291,2 1.376,3 3.157,4 1,5 8.783,6 3.289,7 3.201,8 3.484,9 2.541,10 5.544,11 3.248,12 3.644,13 0.232,14 0.013,15 14.125,16 3.44,17 3.182,18 202,19 3.373,20 307.35,21 3.378,22 3.374,23 448,24 5.429,25 12.266,26 14.941,27 85.113,28 14.012,29 4.992,30 186.75,31 261.92,32 9340,33 2.622,34 344.614,35 0.594,37 5.295,38 16.699,39 10.711,40 2.867,41 3.349,42 2.577,43 10.81,44 31.837,45 1.223,46 16806,47 64,48 7.436,49 5.358,50 832.115,51 9273.61,52 106.453,53 22.298,54 2.504,55 153.09,56 365.299,57 3.352,58 2.519,59 6.862,60 669,61 3.606,62 4.118,63 1.874,64 1.763,65 3.889,66 0.621,67 0.852,68 0.607,69 0.621,70 7.6}
{0 CHEMBL230011,2 1.142,3 2.983,5 7.885,6 3.145,7 3.675,8 3.954,9 2.411,10 6.224,11 3.667,12 3.793,13 0.358,14 0.013,15 18.861,16 3.861,17 3.619,18 205,19 3.901,20 346.38,21 3.88,22 3.837,23 444,24 5.233,25 13.457,26 18.259,27 95.202,28 16.21,29 6.686,30 184.877,31 281.46,32 12062,33 2.757,34 408.253,35 0.696,37 5.923,38 19.941,39 11.946,40 2.846,41 3.411,42 2.724,43 12.508,44 37.551,45 1.285,46 22132,47 74,48 7.706,49 6.594,50 1022,51 12426.2,52 123.35,53 24.278,54 3.048,55 170.416,56 407.575,57 3.384,58 2.969,60 968,61 3.712,62 4.566,63 1.845,64 1.786,65 4.001,66 1,67 1.441,68 0.932,69 1,70 5}
{0 CHEMBL2309006,2 1.025,3 2.893,4 2,5 7.727,6 2.988,7 3.604,8 4.583,9 2.28,10 5.594,11 4.018,12 3.791,13 0.293,14 0.013,15 40.317,16 4.47,17 3.844,18 255,19 4.257,20 439.5,21 3.14,22 4.363,23 598,24 4.824,25 17.923,26 22.275,27 120.91,28 18.522,29 14.344,30 280.009,31 346.74,32 17519,33 2.958,34 474.42,35 0.639,37 6.113,38 22.498,39 15.789,40 3.208,41 3.76,42 2.902,43 15.983,44 36.592,45 1.989,46 30965,47 91,48 11.287,49 17.535,50 1577.92,51 20584.4,52 162.632,53 28.323,54 1.829,55 208.118,56 499.568,57 3.754,58 3.362,59 8.608,60 1301,61 3.698,62 5.075,63 1.995,64 1.917,65 4.275,66 1.433,67 1.976,68 1.405,69 1.433,70 7.638}
{0 CHEMBL2309609,2 1.484,3 3.324,4 2,5 10.884,6 3.484,7 4.571,8 4.947,9 2.751,10 8.774,11 4.828,12 3.885,13 0.89,14 0.012,15 64.383,16 5.003,17 4.71,18 468,19 4.802,20 570.69,21 5.202,22 4.902,23 1091,24 6.34,25 24.126,26 29.198,27 161.613,28 25.494,29 24.864,30 395.941,31 479.62,32 36698,33 3.228,34 632.355,35 0.471,37 6.63,38 41.589,39 17.206,40 3.429,41 4.016,42 3.132,43 20.936,44 49.806,45 2.334,46 63347,47 204,48 14.758,49 28.599,50 3146.34,51 49138.1,52 234.301,53 35.915,54 3.102,55 282.14,56 680.183,57 4.023,58 3.474,59 8.32,60 2814,61 3.858,62 5.655,63 2.019,64 1.907,65 4.529,66 1.723,67 2.206,68 1.668,69 1.723,70 6.187}
{0 CHEMBL231209,2 1.953,3 3.514,5 11.852,6 3.718,7 3.409,8 3.643,9 2.94,10 7.43,11 3.447,12 3.802,13 0.193,14 0.009,15 14.41,16 3.533,17 3.349,18 320,19 3.435,20 378.46,21 4.84,22 3.445,23 703,24 7.122,25 14.886,26 18.286,27 105.985,28 17.588,29 6.081,30 209.722,31 309.85,32 16947,33 2.757,34 419.48,35 0.444,37 5.293,38 26.123,39 11.695,40 3.011,41 3.489,42 2.733,43 13.158,44 40.549,45 1.275,46 32046,47 99,48 9.036,49 5.621,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.82,55 184.345,56 441.561,57 3.514,58 2.881,59 6.862,60 1035,61 3.773,62 4.155,63 1.868,64 1.808,65 4.038,66 1,67 1.5,68 0.993,69 1,70 5.7}
{0 CHEMBL2312649,2 1.869,3 3.531,5 11.914,6 3.78,7 4.269,8 4.32,9 2.948,10 12.067,11 4.306,12 3.744,13 0.521,14 0.011,15 44.489,16 4.282,17 4.211,18 417,19 4.275,20 520.57,21 9.111,22 4.207,23 886,24 7.699,25 22.163,26 25.949,27 144.609,28 26.427,29 11.918,30 335.766,31 467.55,32 27554,33 3.138,34 677.929,35 0.487,37 6.119,38 42.859,39 9.949,40 3.34,41 3.785,42 2.941,43 17.339,44 59.073,45 2.257,46 44601,47 178,48 13.047,49 10.434,50 2249.21,51 36180.7,52 189.502,53 32.253,54 7.432,55 268.736,56 647.475,57 3.825,58 3.275,60 2802,61 3.712,62 5.14,63 1.935,64 1.839,65 4.28,66 1.239,67 1.632,68 1.18,69 1.239,70 6.921}
{0 CHEMBL2312652,2 1.84,3 3.476,5 11.563,6 3.685,7 4.109,8 4.291,9 2.968,10 10.505,11 4.089,12 3.724,13 0.434,14 0.011,15 36.38,16 4.099,17 4.01,18 370,19 4.261,20 481.43,21 7.708,22 4.06,23 794,24 7.111,25 19.157,26 23.665,27 124.907,28 23.482,29 9.877,30 303.008,31 404.93,32 23566,33 2.936,34 593.03,35 0.508,37 5.992,38 34.715,39 9.755,40 3.339,41 3.65,42 2.849,43 15.946,44 51.529,45 1.98,46 42523,47 154,48 11.247,49 8.801,50 1827.71,51 27021.9,52 167.781,53 29.863,54 6.229,55 231.565,56 556.777,57 3.655,58 3.032,59 6.529,60 2066,61 3.665,62 4.947,63 1.854,64 1.76,65 4.194,66 1.153,67 1.273,68 1.07,69 1.153,70 5.606}
{0 CHEMBL2312654,2 1.684,3 3.42,5 10.935,6 3.647,7 4.078,8 4.161,9 2.882,10 9.738,11 4.104,12 3.766,13 0.382,14 0.01,15 33.745,16 4.097,17 4.003,18 339,19 4.09,20 461.44,21 7.018,22 4.018,23 725,24 6.975,25 19.335,26 22.957,27 126.728,28 22.341,29 10.334,30 274.21,31 391.11,32 20810,33 2.883,34 570.936,35 0.512,37 5.799,38 32.724,39 10.278,40 3.33,41 3.644,42 2.849,43 15.446,44 49.141,45 1.783,46 35560,47 135,48 11.096,49 9.042,50 1695.73,51 24551.5,52 160.888,53 29.056,54 5.69,55 230.237,56 553.538,57 3.672,58 3.136,59 6.555,60 1908,61 3.733,62 4.88,63 1.842,64 1.761,65 4.165,66 1.159,67 1.245,68 1.099,69 1.159,70 7.745}
{0 CHEMBL2333436,2 1.533,3 3.178,5 9.577,6 3.338,7 3.537,8 3.736,9 2.69,10 6.169,11 3.787,12 3.779,13 0.271,14 0.012,15 22.949,16 3.805,17 3.619,18 249,19 3.632,20 367.51,21 4.074,22 3.687,23 540,24 5.553,25 15.916,26 18.724,27 105.972,28 17.169,29 8.87,30 230.046,31 320.39,32 11153,33 2.692,34 443.146,35 0.652,37 5.499,38 20.769,39 11.127,40 3.074,41 3.517,42 2.735,43 13.257,44 37.913,45 1.026,46 17884,47 112,48 10.195,49 7.597,50 1084.96,51 12762.1,52 124.118,53 24.428,54 2.572,55 189.131,56 453.239,57 3.575,58 2.743,59 6.88,60 936,61 3.647,62 4.524,63 1.837,64 1.619,65 3.997,66 0.694,67 0.902,68 0.665,69 0.694,70 5}
{0 CHEMBL2333445,1 2.676,2 1.5,3 3.165,5 9.417,6 3.304,7 3.362,8 3.434,9 2.705,10 5.385,11 3.472,12 3.738,13 0.259,14 0.014,15 15.272,16 3.475,17 3.337,18 226,19 3.42,20 339.45,21 3.428,22 3.373,23 496,24 5.401,25 14.262,26 17.147,27 96.078,28 15.279,29 5.902,30 195.395,31 285.79,32 9645,33 2.687,34 388.246,35 0.64,37 5.242,38 18.25,39 10.943,40 2.931,41 3.428,42 2.726,43 12.308,44 33.864,45 1,46 16105,47 96,48 9.226,49 5.052,50 912.014,51 10147.8,52 111.758,53 22.903,54 2.268,55 169.946,56 406.429,57 3.478,58 2.501,59 6.653,60 708,61 3.648,62 4.148,63 1.72,64 1.627,65 3.922,66 0.67,67 0.892,68 0.65,69 0.67,70 5.796}
{0 CHEMBL234085,1 3.094,2 1.361,3 3.116,4 1,5 8.696,6 3.239,7 3.189,8 3.663,9 2.541,10 6.557,11 3.443,12 3.517,13 0.131,14 0.008,15 21.112,16 3.743,17 3.305,18 200,19 3.517,20 312.42,21 4.495,22 3.62,23 426,24 5.258,25 13.359,26 16.397,27 87.831,28 15.766,29 5.624,30 215.82,31 282.79,32 8585,33 2.703,34 418.027,35 0.736,37 5.493,38 16.253,39 9.091,40 3.067,41 3.324,42 2.558,43 11.113,44 36.646,45 1.512,46 14465,47 84,48 7.771,49 7.42,50 819.495,51 9094.07,52 105.892,53 22.155,54 3.02,55 166.338,56 397.625,57 3.334,58 2.485,59 6.605,60 709,61 3.418,62 4.465,63 1.709,64 1.53,65 3.866,66 0.392,67 0.523,68 0.364,69 0.392,70 5.3}
{0 CHEMBL235157,2 1.178,3 3.055,5 8.44,6 3.134,7 3.282,8 3.791,9 2.459,10 5.724,11 3.461,12 3.551,13 0.275,14 0.015,15 19.614,16 3.737,17 3.343,18 211,19 3.579,20 334.41,21 3.636,22 3.634,23 456,24 4.963,25 14.252,26 17.715,27 98.033,28 15.878,29 6.619,30 205.065,31 282.04,32 9657,33 2.749,34 397.042,35 0.748,37 5.447,38 17.392,39 12.655,40 3.007,41 3.431,42 2.704,43 12.045,44 35.573,45 1.441,46 16149,47 80,48 7.835,49 7.958,50 940.163,51 10614.9,52 116.049,53 23.211,54 2.276,55 172.274,56 412.11,57 3.429,58 2.862,60 819,61 3.483,62 4.427,63 1.691,64 1.555,65 3.964,66 0.388,67 0.435,68 0.335,69 0.388,70 5.3}
{0 CHEMBL242865,2 1.893,3 3.441,5 11.115,6 3.649,7 3.455,8 3.645,9 2.907,10 7.697,11 3.282,12 3.745,13 0.242,14 0.011,15 13.398,16 3.454,17 3.266,18 289,19 3.531,20 351.35,21 5.176,22 3.44,23 608,24 6.77,25 13.287,26 18.518,27 94.037,28 17.484,29 4.225,30 186.521,31 294,32 15873,33 2.687,34 422.475,35 0.547,37 5.659,38 24.485,39 10.821,40 2.975,41 3.352,42 2.659,43 12.525,44 44.502,45 1.31,46 31428,47 100,48 7.466,49 4.854,50 1185.92,51 15262.5,52 128.946,53 25.397,54 4.403,55 169.415,56 405.133,57 3.316,58 2.769,60 996,61 3.612,62 4.173,63 1.8,64 1.705,65 3.986,66 1,67 1.475,68 0.994,69 1,70 5.3}
{0 CHEMBL243088,2 1.639,3 3.281,5 9.667,6 3.464,7 3.268,8 3.611,9 2.669,10 7.085,11 3.254,12 3.71,13 0.176,14 0.009,15 13.201,16 3.424,17 3.198,18 232,19 3.448,20 322.35,21 4.702,22 3.399,23 492,24 6.097,25 12.471,26 16.941,27 88.407,28 15.929,29 4.456,30 192.666,31 276.85,32 11571,33 2.563,34 405.985,35 0.594,37 5.442,38 20,39 10.426,40 2.88,41 3.318,42 2.49,43 11.614,44 39.296,45 1.242,46 21420,47 76,48 7.101,49 4.587,50 956.017,51 11479.2,52 114.807,53 23.538,54 4.085,55 161.552,56 385.947,57 3.296,58 2.693,60 808,61 3.607,62 4.117,63 1.798,64 1.699,65 3.911,66 0.069,67 0.086,68 0.065,69 0.069,70 6.7}
{0 CHEMBL243298,2 1.639,3 3.281,5 9.667,6 3.464,7 3.283,8 3.624,9 2.669,10 7.068,11 3.214,12 3.714,13 0.176,14 0.009,15 12.96,16 3.399,17 3.171,18 232,19 3.457,20 324.34,21 4.684,22 3.381,23 492,24 6.097,25 12.401,26 16.071,27 86.929,28 15.904,29 4.385,30 185.995,31 274.13,32 11907,33 2.563,34 387.383,35 0.594,37 5.473,38 20,39 10.426,40 2.882,41 3.309,42 2.489,43 11.22,44 39.296,45 1.26,46 22688,47 76,48 7.066,49 4.649,50 956.017,51 11479.2,52 114.807,53 23.538,54 4.073,55 158.754,56 379.12,57 3.284,58 2.688,60 808,61 3.607,62 4.092,63 1.797,64 1.698,65 3.911,66 0.069,67 0.086,68 0.065,69 0.069,70 5.3}
{0 CHEMBL243518,2 1.706,3 3.359,5 10.36,6 3.534,7 3.37,8 3.658,9 2.759,10 7.283,11 3.315,12 3.724,13 0.238,14 0.011,15 14.725,16 3.475,17 3.277,18 259,19 3.53,20 338.37,21 4.914,22 3.451,23 547,24 6.336,25 13.324,26 16.941,27 91.97,28 16.869,29 4.455,30 204.122,31 291.43,32 12987,33 2.688,34 413.459,35 0.58,37 5.553,38 21.302,39 10.542,40 2.914,41 3.363,42 2.647,43 11.614,44 41.84,45 1.31,46 24043,47 88,48 7.483,49 5.188,50 1060.34,51 13114.4,52 121.538,53 24.395,54 4.111,55 168.346,56 402.525,57 3.348,58 2.737,60 888,61 3.612,62 4.198,63 1.804,64 1.704,65 3.948,66 0.299,67 0.361,68 0.282,69 0.299,70 6.7}
{0 CHEMBL244378,1 2.813,2 1.734,3 3.384,5 10.462,6 3.574,7 3.411,8 3.663,9 2.749,10 6.92,11 3.365,12 3.748,13 0.201,14 0.009,15 13.66,16 3.502,17 3.326,18 272,19 3.582,20 346.38,21 4.314,22 3.483,23 598,24 6.523,25 13.471,26 17.933,27 96.478,28 16.21,29 4.337,30 208.877,31 281.46,32 14511,33 2.687,34 400.916,35 0.484,37 5.454,38 22.515,39 11.922,40 2.957,41 3.401,42 2.624,43 12.687,44 38.143,45 1.311,46 27076,47 82,48 7.819,49 4.889,50 1161.64,51 14791.2,52 128.173,53 25.286,54 3.569,55 170.416,56 407.575,57 3.376,58 2.751,59 6.581,60 954,61 3.622,62 4.186,63 1.8,64 1.705,65 4.005,66 1,67 1.475,68 0.994,69 1,70 7.2}
{0 CHEMBL246970,2 1.98,3 3.539,5 12.107,6 3.726,7 3.834,8 3.881,9 3.071,10 10.009,11 3.808,12 3.766,13 0.311,14 0.01,15 29.454,16 3.839,17 3.753,18 339,19 3.896,20 404.95,21 7.427,22 3.794,23 714,24 7.127,25 16.361,26 20.433,27 113.914,28 20.778,29 6.998,30 257.58,31 358.69,32 16860,33 2.924,34 522.326,35 0.537,37 5.911,38 29.893,39 9.427,40 3.29,41 3.529,42 2.835,43 13.852,44 49.676,45 1.519,46 28512,47 134,48 9.869,49 6.658,50 1408.43,51 19367.2,52 142.607,53 27.139,54 5.775,55 207.444,56 497.924,57 3.555,58 2.772,60 1442,61 3.689,62 4.744,63 1.851,64 1.785,65 4.057,66 0.783,67 0.838,68 0.736,69 0.783,70 6}
{0 CHEMBL24828,2 2.233,3 3.589,5 12.633,6 3.754,7 4.136,8 4.108,9 3.095,10 9.461,11 4.001,12 3.771,13 0.431,14 0.013,15 30.973,16 4.064,17 3.888,18 379,19 4.17,20 475.4,21 6.714,22 3.991,23 819,24 7.163,25 18.577,26 21.217,27 118.666,28 21.29,29 10.363,30 279.254,31 372.83,32 19846,33 2.882,34 529.972,35 0.489,37 5.805,38 33.431,39 11.247,40 3.183,41 3.608,42 2.873,43 14.696,44 47.065,45 1.708,46 34433,47 142,48 10.687,49 10.393,50 1632.89,51 22764.7,52 154.829,53 28.486,54 5.045,55 217.091,56 521.462,57 3.624,58 3.024,60 1484,61 3.724,62 4.807,63 1.91,64 1.842,65 4.138,66 1,67 1,68 0.983,69 1,70 5.854}
{0 CHEMBL248757,2 2.16,3 3.584,5 12.563,6 3.746,7 4.095,8 4.49,9 3.129,10 10.773,11 3.976,12 3.865,13 0.307,14 0.008,15 34.192,16 4.217,17 3.894,18 402,19 4.35,20 471.97,21 7.585,22 4.149,23 872,24 7.168,25 18.295,26 23.192,27 121.278,28 22.529,29 10.169,30 262.193,31 380.47,32 25386,33 3.048,34 536.606,35 0.493,37 6.09,38 30.906,39 11.225,40 3.282,41 3.596,42 2.84,43 16.361,44 51.756,45 2.051,46 50056,47 134,48 10.934,49 11.503,50 1858,51 26786,52 167.666,53 29.871,54 5.987,55 219.855,56 528.206,57 3.593,58 2.916,59 6.26,60 1576,61 3.692,62 4.867,63 1.79,64 1.645,65 4.201,66 1.099,67 1.258,68 0.959,69 1.099,70 7.2}
{0 CHEMBL249282,1 3.144,2 2.392,3 3.679,5 13.379,6 3.843,7 3.628,8 3.717,9 3.224,10 7.866,11 3.795,12 3.695,13 0.328,14 0.011,15 20.787,16 3.823,17 3.694,18 388,19 3.672,20 387.48,21 4.93,22 3.742,23 865,24 7.511,25 16.019,26 19.631,27 109.968,28 18.177,29 7.816,30 250.683,31 340.84,32 18912,33 2.866,34 463.632,35 0.399,37 5.559,38 35.838,39 11.836,40 3.111,41 3.583,42 2.861,43 14.314,44 39.866,45 1.885,46 32948,47 135,48 9.816,49 6.944,50 1560.1,51 21599.5,52 149.501,53 28.033,54 3.598,55 197.525,56 473.721,57 3.585,58 2.951,59 7.644,60 1417,61 3.591,62 4.568,63 1.937,64 1.732,65 4.125,66 1,67 1.45,68 0.946,69 1,70 6.8}
{0 CHEMBL249697,2 1.208,3 2.825,5 7.316,6 2.931,7 2.203,8 3.224,9 2.479,10 4.704,11 2.933,12 3.448,13 0.057,14 0.011,15 14.76,16 3.342,17 2.65,18 139,19 2.73,20 255.36,21 3.03,22 3.119,23 296,24 4.312,25 11.143,26 13.405,27 76.664,28 12.24,29 4.658,30 170.608,31 220.14,32 4446,33 2.411,34 324.173,35 0.913,37 4.749,38 12.554,39 10.063,40 2.77,41 3.172,42 2.359,43 9.203,44 27.561,45 0.603,46 6570,47 59,48 6.388,49 5.646,50 501.252,51 4721,52 79.957,53 18.391,54 2.02,55 139.29,56 331.628,57 3.19,58 2.463,59 6.843,60 358,61 3.372,62 4.082,63 1.771,64 1.551,65 3.69,66 -0.4,67 -0.522,68 -0.381,69 -0.4,70 5}
{0 CHEMBL253969,2 2.531,3 3.756,5 14.594,6 4.012,7 4.225,8 4.206,9 3.243,10 12.096,11 3.837,12 3.831,13 0.289,14 0.008,15 30.762,16 3.911,17 3.782,18 467,19 4.226,20 532.46,21 9.496,22 3.852,23 981,24 8.526,25 19.66,26 22.7,27 122.946,28 25.123,29 8.596,30 262.192,31 408.5,32 28255,33 3.041,34 575.156,35 0.466,37 6.259,38 41.84,39 9.391,40 3.333,41 3.622,42 2.783,43 15.556,44 61.51,45 1.809,46 51922,47 171,48 11.744,49 9.927,50 1989.89,51 31187.9,52 172.531,53 30.806,54 7.248,55 231.347,56 556.246,57 3.639,58 2.9,59 7.273,60 2106,61 3.704,62 4.704,63 1.86,64 1.598,65 4.179,66 0.99,67 1.181,68 0.842,69 0.99,70 6.8}
{0 CHEMBL255863,2 2.26,3 3.82,5 14.769,6 4.011,7 4.22,8 4.366,9 3.234,10 10.683,11 4.165,12 3.859,13 0.468,14 0.009,15 23.789,16 4.214,17 4.141,18 576,19 4.376,20 529.57,21 7.146,22 4.208,23 1254,24 8.641,25 20.861,26 25.07,27 140.252,28 26.09,29 10.394,30 341.51,31 441.06,32 43633,33 2.959,34 599.144,35 0.383,37 6.205,38 46.154,39 13.567,40 3.407,41 3.8,42 2.895,43 17.441,44 61.503,45 1.888,46 83160,47 206,48 11.813,49 11.889,50 2972.38,51 51240.4,52 219.503,53 35.356,54 6.14,55 253.629,56 610.615,57 3.781,58 3.341,59 6.555,60 3094,61 3.821,62 4.881,63 1.976,64 1.88,65 4.393,66 1.441,67 1.972,68 1.387,69 1.441,70 5}
{0 CHEMBL256835,2 1.303,3 3.159,5 9.037,6 3.309,7 3.765,8 4.03,9 2.63,10 7.653,11 3.962,12 3.725,13 0.319,14 0.011,15 30.642,16 4.069,17 3.85,18 244,19 3.968,20 368.45,21 5.083,22 3.993,23 527,24 5.641,25 15.047,26 17.933,27 99.287,28 17.934,29 10.431,30 235.323,31 318.95,32 13245,33 2.764,34 467.352,35 0.649,37 5.922,38 23.457,39 10.265,40 2.989,41 3.499,42 2.735,43 12.758,44 39.743,45 1.144,46 23274,47 103,48 9.037,49 10.083,50 1161.32,51 14532.4,52 130.885,53 25.331,54 3.674,55 185.992,56 445.581,57 3.499,58 2.966,59 6.862,60 1254,61 3.653,62 4.88,63 1.834,64 1.74,65 4.038,66 1,67 1.19,68 0.982,69 1,70 7.4}
{0 CHEMBL259084,2 1.934,3 3.522,5 12.382,6 3.736,7 4.07,8 4.384,9 3.069,10 8.847,11 3.902,12 3.868,13 0.359,14 0.009,15 22.3,16 4.091,17 3.858,18 421,19 4.335,20 476.89,21 5.724,22 4.054,23 921,24 7.157,25 18.145,26 22.579,27 123.999,28 21.998,29 8.175,30 254.366,31 387.63,32 29191,33 2.913,34 512.954,35 0.474,37 6.046,38 37.311,39 13.208,40 3.243,41 3.681,42 2.796,43 15.869,44 49.916,45 2.23,46 58975,47 172,48 10.537,49 10.125,50 2095.78,51 30760.9,52 179.981,53 31.06,54 4.261,55 218.527,56 524.967,57 3.667,58 3.075,59 5.38,60 2032,61 3.789,62 4.613,63 1.937,64 1.856,65 4.268,66 1.247,67 1.762,68 1.224,69 1.247,70 5.15}
{0 CHEMBL259922,2 1.886,3 3.588,5 12.29,6 3.744,7 3.75,8 4.002,9 3.039,10 8.11,11 3.739,12 3.786,13 0.288,14 0.009,15 21.662,16 3.93,17 3.699,18 381,19 3.916,20 411.46,21 5.004,22 3.885,23 849,24 7.161,25 16.481,26 21.209,27 116.248,28 19.127,29 6.642,30 252.568,31 333.12,32 22307,33 2.783,34 468.125,35 0.431,37 5.679,38 31.95,39 13.175,40 3.206,41 3.583,42 2.735,43 15.187,44 43.648,45 1.546,46 41171,47 126,48 9.524,49 7.616,50 1740.9,51 24713.6,52 161.245,53 29.194,54 3.822,55 202.331,56 485.449,57 3.563,58 2.99,59 7.298,60 1621,61 3.728,62 4.602,63 1.818,64 1.757,65 4.182,66 1.019,67 1.5,68 1.021,69 1.019,70 5}
{0 CHEMBL260135,1 2.791,2 0.888,3 2.805,5 7.136,6 2.917,7 2.476,8 3.713,9 2.127,10 5.153,11 3.11,12 3.757,13 0.062,14 0.009,15 16.063,16 3.6,17 2.878,18 157,19 3.311,20 287.35,21 3.008,22 3.472,23 348,24 4.516,25 11.692,26 14.941,27 85.894,28 12.839,29 5.531,30 140.015,31 238.22,32 7049,33 2.687,34 330.952,35 0.783,37 4.948,38 13.636,39 11.304,40 2.688,41 3.302,42 2.624,43 10.843,44 29.476,45 1,46 11859,47 62,48 6.954,49 6.204,50 673.922,51 7212.2,52 97.435,53 20.896,54 2.131,55 148.964,56 355.233,57 3.312,58 2.523,59 6.823,60 648,61 3.704,62 4.136,63 1.734,64 1.658,65 3.851,66 0.702,67 1.015,68 0.685,69 0.702,70 5}
{0 CHEMBL261849,2 2.173,3 3.607,5 12.778,6 3.779,7 3.531,8 3.695,9 3.115,10 8.819,11 3.647,12 3.762,13 0.271,14 0.011,15 21.488,16 3.765,17 3.56,18 345,19 3.676,20 366.46,21 6.242,22 3.681,23 729,24 7.249,25 15.307,26 19.225,27 106.122,28 19.109,29 7.238,30 236.101,31 331.39,32 15682,33 2.787,34 478.033,35 0.516,37 5.563,38 28.571,39 10.275,40 3.007,41 3.477,42 2.735,43 13.084,44 47.231,45 1.311,46 26932,47 127,48 8.383,49 8.165,50 1326.57,51 17729,52 136.523,53 26.462,54 4.949,55 193.256,56 463.306,57 3.474,58 2.935,60 1177,61 3.644,62 4.53,63 1.81,64 1.725,65 4.022,66 0.562,67 0.639,68 0.493,69 0.562,70 5.15}
{0 CHEMBL262433,2 1.944,3 3.518,5 11.929,6 3.729,7 3.497,8 3.671,9 2.918,10 7.584,11 3.476,12 3.808,13 0.205,14 0.009,15 14.69,16 3.521,17 3.397,18 334,19 3.53,20 394.47,21 4.988,22 3.471,23 730,24 7.231,25 15.549,26 19.156,27 108.389,28 18.417,29 6.087,30 216.574,31 314.55,32 18742,33 2.753,34 435.139,35 0.444,37 5.435,38 27.214,39 11.838,40 3.052,41 3.488,42 2.735,43 13.551,44 42.77,45 1.539,46 35709,47 98,48 9.088,49 5.178,50 1409.54,51 19268.3,52 142.683,53 27.109,54 3.866,55 188.341,56 451.312,57 3.492,58 2.937,59 6.862,60 1154,61 3.751,62 4.195,63 1.786,64 1.748,65 4.07,66 1,67 1.5,68 1,69 1,70 5.2}
{0 CHEMBL262623,2 1,3 2.838,5 7,6 2.901,7 2.1,8 3.033,9 2.241,10 4.649,11 2.476,12 3.367,13 0.053,14 0.011,15 7.557,16 2.975,17 2.315,18 126,19 2.73,20 239.31,21 2.847,22 2.839,23 275,24 4.256,25 9.797,26 12.372,27 73.55,28 11.026,29 2.142,30 136.825,31 211.1,32 4311,33 2.418,34 292.971,35 0.844,37 4.392,38 9.778,39 9.222,40 2.687,41 3.094,42 2.341,43 8.843,44 25.583,45 0.379,46 7032,47 42,48 5.817,49 3.711,50 443.806,51 4070.7,52 74.598,53 17.682,54 2.172,55 126.77,56 301.08,57 3.098,58 2.277,59 5.198,60 308,61 3.319,62 3.453,63 1.761,64 1.547,65 3.647,66 -0.529,67 -0.664,68 -0.488,69 -0.529,70 6.1}
{0 CHEMBL271381,2 2.019,3 3.557,5 12.483,6 3.776,7 3.762,8 4.023,9 3.073,10 8.349,11 3.613,12 3.827,13 0.252,14 0.01,15 17.073,16 3.659,17 3.505,18 362,19 3.672,20 453.32,21 5.645,22 3.574,23 787,24 7.386,25 16.987,26 21.38,27 114.497,28 19.608,29 6.914,30 229.819,31 339.43,32 20324,33 2.792,34 473.214,35 0.448,37 5.369,38 29.857,39 11.787,40 3.308,41 3.54,42 2.771,43 14.623,44 45.038,45 1.531,46 38544,47 116,48 9.501,49 6.827,50 1533.16,51 21375.8,52 149.347,53 27.897,54 4.183,55 201.514,56 483.455,57 3.541,58 3.041,59 6.843,60 1272,61 3.75,62 4.318,63 1.867,64 1.772,65 4.104,66 1,67 1.5,68 1,69 1,70 5.9}
{0 CHEMBL272453,2 2.128,3 3.582,5 12.759,6 3.82,7 3.572,8 3.778,9 3.069,10 8.228,11 3.491,12 3.802,13 0.244,14 0.01,15 14.59,16 3.57,17 3.425,18 370,19 3.538,20 408.87,21 5.51,22 3.493,23 809,24 7.598,25 16.157,26 20.88,27 111.679,28 19.422,29 5.76,30 229.819,31 335.36,32 20810,33 2.895,34 466.854,35 0.425,37 5.366,38 29.394,39 11.871,40 3.228,41 3.534,42 2.79,43 14.335,44 45.116,45 1.535,46 39432,47 133,48 9.086,49 6.067,50 1551.03,51 21911.6,52 150.133,53 28.028,54 4.109,55 197.933,56 474.718,57 3.526,58 2.882,59 6.823,60 1317,61 3.749,62 4.22,63 1.881,64 1.774,65 4.104,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL274064,2 1.261,3 3.049,5 8.48,6 3.193,7 3.528,8 3.93,9 2.504,10 6.81,11 3.792,12 3.705,13 0.229,14 0.01,15 27.547,16 3.971,17 3.647,18 212,19 3.789,20 338.43,21 4.368,22 3.865,23 463,24 5.262,25 13.691,26 16.355,27 94.999,28 16.038,29 8.637,30 210.215,31 288.77,32 10545,33 2.687,34 403.265,35 0.68,37 5.763,38 19.654,39 10.101,40 2.88,41 3.42,42 2.735,43 11.826,44 35.486,45 1.077,46 18228,47 91,48 8.345,49 8.858,50 957.975,51 11308.1,52 117.553,53 23.661,54 3.222,55 172.404,56 412.425,57 3.422,58 2.693,59 6.862,60 991,61 3.621,62 4.755,63 1.838,64 1.735,65 3.967,66 0.934,67 1.084,68 0.874,69 0.934,70 6.1}
{0 CHEMBL278041,1 3.333,2 1.299,3 3.168,5 9.16,6 3.305,7 3.503,8 3.776,9 2.623,10 6.404,11 3.718,12 3.772,13 0.294,14 0.012,15 18.786,16 3.845,17 3.604,18 229,19 3.713,20 331.37,21 3.945,22 3.768,23 501,24 5.563,25 13.148,26 16.355,27 93.158,28 15.401,29 8.18,30 178.131,31 280.34,32 11639,33 2.687,34 388.63,35 0.624,37 5.586,38 21.28,39 10.595,40 2.768,41 3.416,42 2.735,43 11.81,44 35.604,45 1,46 21419,47 91,48 7.763,49 7.218,50 991.396,51 11822,52 118.685,53 23.908,54 3.112,55 166.42,56 397.824,57 3.418,58 2.716,59 6.862,60 925,61 3.74,62 4.486,63 1.921,64 1.811,65 3.967,66 1,67 1.5,68 0.983,69 1,70 5}
{0 CHEMBL288441,2 2.469,3 3.765,5 14.556,6 3.976,7 4.319,8 4.381,9 3.288,10 12.286,11 4.22,12 3.736,13 0.537,14 0.011,15 34.875,16 4.291,17 4.143,18 524,19 4.382,20 530.5,21 9.127,22 4.216,23 1115,24 8.319,25 22.118,26 26.656,27 142.137,28 26.743,29 12.092,30 335.189,31 461.61,32 32774,33 3.119,34 660.512,35 0.455,37 6.095,38 47.741,39 11.694,40 3.363,41 3.77,42 2.941,43 18.004,44 62.202,45 2.29,46 56853,47 220,48 12.433,49 12.79,50 2504.59,51 40531.6,52 197.773,53 33.236,54 6.345,55 263.95,56 635.797,57 3.784,58 3.159,60 2640,61 3.656,62 4.969,63 1.889,64 1.799,65 4.31,66 1.257,67 1.407,68 1.166,69 1.257,70 8.086}
{0 CHEMBL289959,2 0.962,3 2.872,5 7.118,6 2.931,7 2.06,8 2.915,9 2.207,10 4.321,11 2.62,12 3.327,13 0.032,14 0.006,15 7.197,16 3.018,17 2.415,18 121,19 2.664,20 221.28,21 2.527,22 2.879,23 266,24 4.325,25 9.168,26 11.502,27 67.632,28 9.943,29 2.929,30 116.996,31 192.86,32 3828,33 2.261,34 272.999,35 0.791,37 4.258,38 9.01,39 9.76,40 2.687,41 3.063,42 2.182,43 8.433,44 23.677,45 0.164,46 6167,47 41,48 5.452,49 3.448,50 398.585,51 3559.88,52 69.584,53 16.999,54 2.009,55 119.847,56 284.186,57 3.082,58 2.232,60 305,61 3.236,62 3.448,63 1.501,64 1.354,65 3.596,66 -0.618,67 -0.927,68 -0.593,69 -0.618,70 4.4}
{0 CHEMBL296468,2 2,3 3.515,5 11.8,6 3.731,7 3.55,8 3.875,9 2.953,10 8.191,11 3.559,12 3.749,13 0.185,14 0.009,15 20.114,16 3.732,17 3.378,18 295,19 3.622,20 380.59,21 6.182,22 3.493,23 625,24 7.128,25 16.428,26 18.571,27 101.699,28 18.869,29 6.957,30 219.837,31 329.18,32 12486,33 2.604,34 497.131,35 0.49,37 5.096,38 24.531,39 8.746,40 3.179,41 3.47,42 2.618,43 12.777,44 42.16,45 1.358,46 19920,47 90,48 10.272,49 10.196,50 1119.21,51 14422.1,52 124.003,53 24.931,54 5.284,55 194.455,56 466.229,57 3.55,58 2.595,59 7.273,60 932,61 3.699,62 4.129,63 1.565,64 1.509,65 3.941,66 0.692,67 1,68 0.625,69 0.692,70 5.15}
{0 CHEMBL300138,2 2.146,3 3.685,4 2,5 13.769,6 3.876,7 4.229,8 4.488,9 3.214,10 9.639,11 4.439,12 3.835,13 0.536,14 0.01,15 43.594,16 4.562,17 4.338,18 537,19 4.383,20 515.66,21 5.952,22 4.469,23 1220,24 7.828,25 21.801,26 26.509,27 151.757,28 24.081,29 15.829,30 351.583,31 456.76,32 35103,33 3.04,34 607.106,35 0.375,37 6.266,38 45.945,39 14.546,40 3.33,41 3.909,42 3.03,43 19.081,44 50.379,45 2.04,46 59288,47 229,48 13.449,49 17.217,50 2871.9,51 46468.6,52 215.456,53 34.804,54 4.117,55 266.952,56 643.123,57 3.93,58 3.205,59 8.138,60 3072,61 3.787,62 5.254,63 2.005,64 1.877,65 4.42,66 1.543,67 2.062,68 1.509,69 1.543,70 5}
{0 CHEMBL306380,2 1.111,3 2.839,5 7.333,6 2.972,7 2.574,8 3.555,9 2.258,10 4.728,11 3.346,12 3.524,13 0.172,14 0.022,15 20.505,16 3.668,17 3.057,18 154,19 3.136,20 281.4,21 3.123,22 3.486,23 325,24 4.52,25 12.753,26 15.198,27 86.242,28 13.872,29 7.313,30 164.838,31 252.1,32 5641,33 2.499,34 382.585,35 0.9,37 5.038,38 13.932,39 9.941,40 2.81,41 3.278,42 2.618,43 9.876,44 31.846,45 0.992,46 8245,47 65,48 6.944,49 6.668,50 624.059,51 6362.19,52 91.739,53 20.052,54 2.351,55 155.547,56 371.296,57 3.308,58 2.453,59 7.096,60 516,61 3.503,62 4.43,63 1.801,64 1.671,65 3.775,66 -0.314,67 -0.407,68 -0.289,69 -0.314,70 5.8}
{0 CHEMBL316264,1 3.292,2 1.299,3 3.168,5 9.16,6 3.305,7 3.513,8 3.787,9 2.623,10 6.389,11 3.689,12 3.774,13 0.294,14 0.012,15 17.896,16 3.827,17 3.584,18 229,19 3.721,20 333.36,21 3.929,22 3.755,23 501,24 5.563,25 13.079,26 15.485,27 91.68,28 15.376,29 7.959,30 159.421,31 277.62,32 11991,33 2.687,34 370.028,35 0.624,37 5.595,38 21.28,39 10.595,40 2.768,41 3.408,42 2.735,43 11.416,44 35.604,45 1,46 22729,47 91,48 7.728,49 7.221,50 991.396,51 11822,52 118.685,53 23.908,54 3.103,55 163.622,56 390.997,57 3.408,58 2.715,59 6.862,60 925,61 3.741,62 4.457,63 1.921,64 1.811,65 3.967,66 1,67 1.5,68 0.983,69 1,70 6.2}
{0 CHEMBL31965,2 2.369,3 3.68,5 13.382,6 3.881,7 4.185,8 4.196,9 3.253,10 11.581,11 4.122,12 3.698,13 0.447,14 0.01,15 30.95,16 4.162,17 4.065,18 455,19 4.23,20 485.99,21 8.298,22 4.106,23 975,24 7.881,25 19.277,26 23.545,27 128.881,28 24.361,29 10.087,30 319.076,31 417.87,32 29467,33 3.013,34 583.706,35 0.466,37 6.058,38 43.765,39 11.435,40 3.333,41 3.692,42 2.926,43 16.407,44 56.733,45 2.062,46 54173,47 178,48 11.282,49 10.748,50 2176.99,51 34026.1,52 183.346,53 31.727,54 6.435,55 237.63,56 571.578,57 3.687,58 3.124,60 2324,61 3.61,62 4.887,63 1.925,64 1.754,65 4.258,66 1.356,67 1.58,68 1.203,69 1.356,70 5}
{0 CHEMBL340384,2 1.306,3 3.177,5 9.286,6 3.312,7 3.766,8 4.145,9 2.629,10 7.114,11 3.731,12 3.762,13 0.419,14 0.014,15 21.677,16 3.933,17 3.67,18 260,19 4.142,20 391.83,21 4.632,22 3.902,23 559,24 5.629,25 15.22,26 20.336,27 105.583,28 18.231,29 7.88,30 214.477,31 332.62,32 15447,33 2.689,34 448.958,35 0.665,37 5.833,38 24.286,39 11.222,40 3.087,41 3.505,42 2.735,43 13.741,44 41.981,45 1.6,46 29619,47 102,48 8.718,49 8.155,50 1251.84,51 15798,52 136.74,53 25.97,54 3.296,55 188.212,56 450.997,57 3.502,58 2.86,60 1204,61 3.687,62 4.506,63 1.842,64 1.749,65 4.069,66 1,67 1.5,68 0.983,69 1,70 6.1}
{0 CHEMBL340921,2 1.306,3 3.177,5 9.286,6 3.312,7 3.697,8 4.024,9 2.629,10 6.949,11 3.816,12 3.745,13 0.419,14 0.014,15 23.823,16 4.01,17 3.75,18 260,19 3.96,20 371.42,21 4.457,22 3.961,23 559,24 5.629,25 15.086,26 19.836,27 105.819,28 17.959,29 8.858,30 230.379,31 334.71,32 14535,33 2.689,34 453.633,35 0.665,37 5.977,38 24.286,39 11.222,40 3.039,41 3.525,42 2.735,43 13.452,44 41.981,45 1.529,46 26229,47 102,48 8.651,49 9.324,50 1251.84,51 15798,52 136.74,53 25.97,54 3.204,55 189.471,56 454.07,57 3.529,58 2.874,60 1204,61 3.689,62 4.686,63 1.855,64 1.756,65 4.069,66 1,67 1.5,68 0.983,69 1,70 5.5}
{0 CHEMBL360847,2 0.993,3 3.221,4 2,5 9.743,6 3.324,7 4.318,8 4.625,9 2.119,10 8.795,11 4.565,12 3.745,13 0.611,14 0.011,15 51.171,16 4.705,17 4.453,18 341,19 4.566,20 468.6,21 5.602,22 4.625,23 765,24 5.908,25 19.953,26 24.104,27 135.851,28 22.293,29 18.086,30 313.059,31 416.53,32 22158,33 3.068,34 559.77,35 0.538,37 6.422,38 24.898,39 13.864,40 3.361,41 3.796,42 3.075,43 17.008,44 46.46,45 2.037,46 36566,47 119,48 12.038,49 19.81,50 1977.84,51 28638.5,52 181.497,53 30.705,54 3.823,55 241.96,56 582.143,57 3.811,58 3.058,59 8.138,60 1438,61 3.632,62 5.405,63 1.959,64 1.787,65 4.308,66 1.331,67 1.913,68 1.323,69 1.331,70 5.3}
{0 CHEMBL362558,2 2.104,3 3.58,4 1,5 12.763,6 3.755,7 4.255,8 4.513,9 3.122,10 8.985,11 4.309,12 3.773,13 0.524,14 0.01,15 38.426,16 4.42,17 4.245,18 485,19 4.476,20 512.59,21 5.551,22 4.389,23 1104,24 7.251,25 20.614,26 25.095,27 138.257,28 23.478,29 13.301,30 346.569,31 429.6,32 33037,33 3.049,34 554.525,35 0.412,37 6.357,38 41.645,39 14.078,40 3.396,41 3.838,42 2.941,43 18.097,44 48.448,45 2.266,46 58979,47 188,48 12.873,49 14.57,50 2639.92,51 40730,52 206.24,53 33.704,54 3.769,55 246.426,56 593.04,57 3.83,58 3.256,59 8.138,60 2570,61 3.692,62 5.156,63 1.991,64 1.822,65 4.394,66 1.546,67 2.19,68 1.5,69 1.546,70 5}
{0 CHEMBL363648,2 1.655,3 3.441,5 11,6 3.596,7 3.771,8 4.036,9 2.889,10 8.566,11 4.015,12 3.81,13 0.323,14 0.01,15 26.852,16 4.147,17 3.863,18 319,19 3.919,20 399.55,21 5.708,22 4.002,23 691,24 6.604,25 17.163,26 20.571,27 118.509,28 19.322,29 10.644,30 253.928,31 359.34,32 16354,33 2.792,34 501.717,35 0.526,37 5.728,38 28.128,39 11.797,40 3.139,41 3.614,42 2.735,43 14.544,44 44.566,45 1.323,46 26970,47 120,48 10.35,49 11.706,50 1459.82,51 19705,52 146.815,53 27.434,54 4.372,55 211.794,56 508.538,57 3.673,58 3.005,59 6.843,60 1399,61 3.787,62 4.765,63 1.912,64 1.823,65 4.105,66 1,67 1.5,68 1.007,69 1,70 7.6}
{0 CHEMBL371206,2 1.931,3 3.505,5 12,6 3.744,7 3.491,8 3.751,9 2.922,10 7.897,11 3.633,12 3.809,13 0.292,14 0.012,15 17.49,16 3.701,17 3.514,18 348,19 3.529,20 403.55,21 5.309,22 3.595,23 757,24 7.33,25 17.224,26 20.897,27 119.498,28 19.496,29 6.917,30 239.928,31 349.38,32 18285,33 2.852,34 489.557,35 0.448,37 5.292,38 28.385,39 11.915,40 3.067,41 3.589,42 2.738,43 14.31,44 45.047,45 1.841,46 31154,47 103,48 9.985,49 7.396,50 1519.9,51 21255,52 149.232,53 27.85,54 4.139,55 209.126,56 502.027,57 3.632,58 2.956,59 7.05,60 1242,61 3.763,62 4.314,63 1.794,64 1.748,65 4.101,66 1,67 1.5,68 1,69 1,70 5}
{0 CHEMBL375293,2 1.458,3 3.187,5 9.208,6 3.325,7 3.29,8 3.693,9 2.709,10 6.468,11 3.375,12 3.744,13 0.097,14 0.005,15 11.323,16 3.508,17 3.304,18 221,19 3.45,20 316.35,21 3.864,22 3.459,23 490,24 5.571,25 12.495,26 16.192,27 87.613,28 14.34,29 4.681,30 184.117,31 255.37,32 10626,33 2.614,34 363.661,35 0.596,37 5.159,38 20,39 10.413,40 2.653,41 3.319,42 2.523,43 11.899,44 33.646,45 1,46 19318,47 84,48 7.243,49 4.748,50 917.834,51 10662.9,52 112.861,53 23.25,54 3.113,55 156.827,56 374.419,57 3.29,58 2.426,59 6.293,60 856,61 3.637,62 4.088,63 1.701,64 1.594,65 3.933,66 0.799,67 1.186,68 0.771,69 0.799,70 5.2}
{0 CHEMBL377300,1 3.093,2 1.654,3 3.355,4 2,5 10.667,6 3.526,7 3.644,8 3.857,9 2.883,10 6.926,11 3.611,12 3.507,13 0.311,14 0.011,15 22.034,16 3.755,17 3.565,18 288,19 3.806,20 370.42,21 4.598,22 3.727,23 624,24 6.212,25 15.155,26 18.259,27 99.425,28 17.922,29 6.623,30 237.819,31 299.54,32 14278,33 2.736,34 445.539,35 0.556,37 5.74,38 23.61,39 11.9,40 2.953,41 3.465,42 2.75,43 12.508,44 40.178,45 1.775,46 25146,47 105,48 8.532,49 7.274,50 1237.64,51 15509,52 132.838,53 25.677,54 3.296,55 180.396,56 431.927,57 3.442,58 2.904,59 7.627,60 1105,61 3.424,62 4.533,63 1.837,64 1.631,65 4.033,66 0.625,67 0.881,68 0.574,69 0.625,70 6.229}
{0 CHEMBL377383,2 1.69,3 3.419,5 11.08,6 3.625,7 3.477,8 3.711,9 2.903,10 8.041,11 3.449,12 3.754,13 0.329,14 0.016,15 23.573,16 3.514,17 3.339,18 277,19 3.502,20 383.89,21 6.274,22 3.425,23 562,24 6.686,25 15.317,26 19.363,27 96.404,28 19.506,29 6.529,30 207.82,31 322.24,32 13921,33 2.709,34 463.277,35 0.671,37 5.401,38 22.893,39 8.96,40 3.095,41 3.389,42 2.659,43 12.902,44 51.985,45 1.311,46 26445,47 86,48 9.65,49 6.17,50 1087.63,51 13674.9,52 122.612,53 24.578,54 5.078,55 184.801,56 442.674,57 3.432,58 2.627,60 911,61 3.639,62 4.336,63 1.778,64 1.6,65 3.921,66 0.265,67 0.303,68 0.189,69 0.265,70 5}
{0 CHEMBL377408,2 1.544,3 3.268,5 9.808,6 3.485,7 3.558,8 3.728,9 2.662,10 8.153,11 3.48,12 3.723,13 0.292,14 0.012,15 18.844,16 3.548,17 3.407,18 255,19 3.715,20 375.45,21 6.169,22 3.509,23 515,24 6.273,25 14.708,26 19.57,27 96.924,28 19.672,29 5.96,30 216.574,31 323.75,32 14305,33 2.753,34 460.024,35 0.756,37 5.637,38 21.692,39 9.323,40 3.07,41 3.389,42 2.599,43 13.168,44 54.982,45 1.538,46 26938,47 86,48 9.045,49 5.87,50 1132.61,51 14404.3,52 127.422,53 25.007,54 4.716,55 184.202,56 441.213,57 3.403,58 2.571,60 980,61 3.556,62 4.316,63 1.782,64 1.47,65 3.961,66 0.441,67 0.571,68 0.432,69 0.441,70 5.3}
{0 CHEMBL378627,2 1.698,3 3.461,5 11.355,6 3.686,7 3.876,8 4.109,9 2.845,10 10.079,11 3.821,12 3.801,13 0.316,14 0.009,15 33.564,16 3.964,17 3.741,18 352,19 3.898,20 448.55,21 7.992,22 3.891,23 706,24 7.12,25 18.663,26 23.595,27 115.081,28 24.58,29 9.653,30 272.2,31 399.53,32 22075,33 2.889,34 581.634,35 0.731,37 6.19,38 29.985,39 9.579,40 3.167,41 3.577,42 2.85,43 15.387,44 73.005,45 2.249,46 40251,47 109,48 11.009,49 9.34,50 1713.95,51 24780.8,52 161.387,53 28.993,54 6.157,55 223.769,56 537.757,57 3.595,58 3.123,60 1567,61 3.66,62 4.827,63 1.844,64 1.62,65 4.128,66 0.891,67 0.999,68 0.764,69 0.891,70 5}
{0 CHEMBL379218,1 3.015,2 1.901,3 3.544,5 11.889,6 3.729,7 3.467,8 3.667,9 2.967,10 7.808,11 3.656,12 3.794,13 0.152,14 0.006,15 18.622,16 3.746,17 3.548,18 321,19 3.557,20 358.48,21 5.079,22 3.64,23 708,24 7.121,25 15.222,26 18.64,27 107.094,28 17.564,29 6.861,30 253.611,31 322.51,32 14739,33 2.687,34 459.267,35 0.44,37 5.379,38 26.617,39 11.562,40 2.932,41 3.538,42 2.735,43 13.187,44 40.45,45 1.275,46 24084,47 112,48 9.013,49 7.822,50 1308.79,51 17472.8,52 136.221,53 26.422,54 4.12,55 194.128,56 465.432,57 3.566,58 2.848,59 6.804,60 1140,61 3.716,62 4.42,63 1.849,64 1.735,65 4.04,66 1,67 1.5,68 1,69 1,70 6.854}
{0 CHEMBL379835,2 1.323,3 2.976,5 8.087,6 3.07,7 2.807,8 3.736,9 2.512,10 5.115,11 3.179,12 3.707,13 0.106,14 0.011,15 16.778,16 3.526,17 2.982,18 186,19 3.451,20 325.77,21 3.181,22 3.392,23 410,24 4.716,25 12.95,26 16.637,27 87.838,28 14.304,29 5.566,30 161.26,31 262.55,32 8603,33 2.687,34 365.26,35 0.77,37 4.983,38 15.648,39 10.814,40 2.89,41 3.325,42 2.534,43 11.364,44 31.563,45 1.297,46 15794,47 67,48 7.438,49 6.781,50 776.631,51 8225.42,52 103.511,53 21.684,54 2.063,55 154.628,56 369.053,57 3.327,58 2.653,59 7.066,60 619,61 3.607,62 3.989,63 1.734,64 1.557,65 3.884,66 0.483,67 0.685,68 0.489,69 0.483,70 5}
{0 CHEMBL379975,1 3.254,2 1.343,3 3.007,4 1,5 8.231,6 3.126,7 3.238,8 4.152,9 2.519,10 5.337,11 3.231,12 3.759,13 0.137,14 0.009,15 11.113,16 3.598,17 3.152,18 214,19 3.81,20 362.78,21 3.169,22 3.575,23 480,24 4.97,25 14.016,26 18.499,27 97.369,28 15.438,29 4.721,30 188.75,31 283.7,32 12026,33 2.756,34 371.983,35 0.681,37 5.445,38 18.846,39 12.582,40 3.078,41 3.465,42 2.583,43 12.83,44 33.527,45 1.636,46 23195,47 75,48 8.342,49 6.559,50 1016.1,51 11727.3,52 121.865,53 23.977,54 2.131,55 167.359,56 400.116,57 3.459,58 2.952,59 7.743,60 798,61 3.655,62 4.018,63 1.858,64 1.769,65 4.016,66 0.985,67 1.478,68 0.991,69 0.985,70 8.1}
{0 CHEMBL38380,2 1.02,3 2.859,5 7.1,6 2.94,7 2.567,8 3.266,9 2.243,10 5.487,11 3.132,12 3.575,13 0.039,14 0.005,15 16.21,16 3.429,17 2.903,18 142,19 2.969,20 291.41,21 3.703,22 3.246,23 306,24 4.409,25 11.935,26 14.252,27 78.321,28 13.5,29 5.222,30 180.75,31 247.77,32 5539,33 2.485,34 348.427,35 0.875,37 4.844,38 11.26,39 9.052,40 2.863,41 3.248,42 2.418,43 10.482,44 29.685,45 0.831,46 9046,47 45,48 8.171,49 6.085,50 558.641,51 5501.99,52 85.905,53 19.323,54 2.58,55 147.752,56 352.276,57 3.305,58 2.264,59 4.977,60 452,61 3.477,62 4.16,63 1.815,64 1.607,65 3.74,66 -0.445,67 -0.445,68 -0.416,69 -0.445,70 5.6}
{0 CHEMBL384304,2 2.036,3 3.497,5 12.033,6 3.762,7 3.677,8 4.025,9 2.944,10 8.803,11 3.553,12 3.801,13 0.32,14 0.013,15 23.773,16 3.69,17 3.48,18 361,19 3.851,20 441.51,21 6.558,22 3.657,23 752,24 7.355,25 17.17,26 20.561,27 109.44,28 22.35,29 6.066,30 255.784,31 363.41,32 22526,33 2.866,34 508.634,35 0.551,37 5.847,38 31.387,39 9.829,40 3.118,41 3.538,42 2.753,43 14.185,44 55.609,45 1.917,46 44179,47 120,48 10.872,49 6.467,50 1636.3,51 23148.3,52 155.478,53 28.5,54 4.885,55 204.244,56 490.116,57 3.537,58 3.061,60 1404,61 3.667,62 4.55,63 1.782,64 1.721,65 4.112,66 1,67 1,68 0.983,69 1,70 5}
{0 CHEMBL385478,1 3.196,2 1.455,3 3.221,4 1,5 9.273,6 3.327,7 3.049,8 3.426,9 2.681,10 5.956,11 3.419,12 3.649,13 0.1,14 0.006,15 14.348,16 3.496,17 3.265,18 204,19 3.214,20 293.41,21 3.672,22 3.372,23 458,24 5.484,25 12.419,26 14.778,27 87.522,28 13.564,29 5.551,30 190.15,31 257.04,32 7438,33 2.613,34 365.635,35 0.567,37 4.911,38 16.264,39 10.441,40 2.866,41 3.348,42 2.569,43 10.899,44 29.935,45 1,46 11365,47 70,48 7.921,49 5.329,50 768.482,51 8361.36,52 100.889,53 21.68,54 2.813,55 157.746,56 376.661,57 3.374,58 2.497,59 6.843,60 614,61 3.585,62 4.171,63 1.827,64 1.724,65 3.854,66 0.485,67 0.717,68 0.455,69 0.485,70 8.4}
{0 CHEMBL386051,2 2.017,3 3.449,5 11.517,6 3.639,7 3.657,8 4.146,9 2.935,10 8.267,11 3.654,12 3.883,13 0.361,14 0.014,15 15.167,16 3.865,17 3.54,18 334,19 3.974,20 443.38,21 5.724,22 3.748,23 722,24 6.704,25 17.939,26 21.897,27 120.773,28 20.081,29 6.238,30 227.624,31 362.4,32 18655,33 3.038,34 497.176,35 0.528,37 5.367,38 29.757,39 11.479,40 3.378,41 3.562,42 2.839,43 15.109,44 44.793,45 2.065,46 35161,47 124,48 10.68,49 8.419,50 1477.32,51 19614.2,52 146.72,53 27.412,54 3.951,55 209.405,56 502.708,57 3.606,58 2.937,60 1246,61 3.718,62 4.302,63 1.85,64 1.773,65 4.103,66 1.006,67 1.454,68 0.924,69 1.006,70 6.056}
{0 CHEMBL387971,1 3.088,2 2.785,3 3.911,5 16.118,6 4.078,7 3.998,8 4.084,9 3.47,10 10.412,11 4.065,12 3.745,13 0.329,14 0.009,15 29.153,16 4.12,17 3.952,18 548,19 4.005,20 476.65,21 7.122,22 3.996,23 1196,24 8.721,25 20.335,26 23.847,27 138.642,28 23.258,29 10.672,30 319.65,31 426.34,32 28505,33 3.032,34 586.95,35 0.369,37 5.762,38 53.176,39 12.65,40 3.259,41 3.759,42 2.941,43 17.089,44 50.331,45 2.185,46 47273,47 237,48 12.335,49 11.496,50 2287.97,51 36333.8,52 185.573,53 32.145,54 4.993,55 244.227,56 587.674,57 3.795,58 3.108,59 8.021,60 2414,61 3.647,62 4.724,63 1.804,64 1.696,65 4.269,66 1.148,67 1.639,68 1.123,69 1.148,70 5.7}
{0 CHEMBL392642,2 2.059,3 3.563,5 12.241,6 3.76,7 3.875,8 3.904,9 3.086,10 10.768,11 3.898,12 3.766,13 0.324,14 0.01,15 31.51,16 3.923,17 3.829,18 355,19 3.937,20 416.61,21 8.101,22 3.857,23 745,24 7.296,25 17.451,26 20.993,27 122.016,28 21.817,29 7.531,30 281.72,31 379.29,32 17669,33 2.924,34 555.951,35 0.533,37 5.947,38 31.201,39 9.567,40 3.314,41 3.588,42 2.867,43 14.659,44 52.443,45 1.567,46 28611,47 142,48 11.139,49 7.666,50 1526.45,51 21568.8,52 149.455,53 27.927,54 6.048,55 219.834,56 528.156,57 3.643,58 2.775,60 1561,61 3.69,62 4.811,63 1.851,64 1.785,65 4.092,66 0.783,67 0.847,68 0.737,69 0.783,70 6.5}
{0 CHEMBL394619,2 1.953,3 3.514,5 11.852,6 3.718,7 3.379,8 3.612,9 2.94,10 7.469,11 3.536,12 3.802,13 0.193,14 0.009,15 16.132,16 3.595,17 3.407,18 320,19 3.435,20 374.5,21 4.883,22 3.495,23 703,24 7.122,25 15.508,26 19.156,27 110.81,28 17.65,29 6.634,30 225.624,31 321.08,32 15615,33 2.766,34 442.723,35 0.444,37 5.209,38 26.123,39 11.695,40 3.022,41 3.523,42 2.735,43 13.551,44 40.549,45 1.24,46 27102,47 99,48 9.348,49 5.901,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.844,55 192.739,56 462.043,57 3.567,58 2.881,59 6.862,60 1035,61 3.776,62 4.224,63 1.869,64 1.809,65 4.038,66 1,67 1.5,68 0.993,69 1,70 5.6}
{0 CHEMBL394790,2 1.953,3 3.514,5 11.852,6 3.718,7 3.496,8 3.729,9 2.94,10 7.645,11 3.504,12 3.823,13 0.193,14 0.009,15 14.8,16 3.57,17 3.379,18 320,19 3.482,20 394.91,21 5.075,22 3.463,23 703,24 7.122,25 15.642,26 19.656,27 110.574,28 17.922,29 6.133,30 209.722,31 318.99,32 16947,33 2.768,34 438.048,35 0.444,37 5.211,38 26.123,39 11.695,40 3.226,41 3.502,42 2.735,43 13.84,44 40.549,45 1.278,46 32046,47 99,48 9.414,49 5.689,50 1304.95,51 17354.7,52 136.072,53 26.359,54 3.954,55 191.48,56 458.97,57 3.541,58 2.88,59 6.862,60 1035,61 3.775,62 4.149,63 1.868,64 1.808,65 4.038,66 1,67 1.5,68 0.993,69 1,70 5.5}
{0 CHEMBL396523,1 2.894,2 1.734,3 3.384,5 10.462,6 3.574,7 3.408,8 3.657,9 2.749,10 6.92,11 3.375,12 3.748,13 0.201,14 0.009,15 13.315,16 3.509,17 3.331,18 272,19 3.586,20 346.38,21 4.314,22 3.489,23 598,24 6.523,25 13.471,26 17.933,27 96.728,28 16.21,29 4.502,30 208.877,31 281.46,32 14546,33 2.692,34 400.916,35 0.484,37 5.436,38 22.515,39 11.922,40 2.954,41 3.401,42 2.589,43 12.687,44 38.143,45 1.311,46 27219,47 82,48 7.815,49 4.841,50 1161.64,51 14791.2,52 128.173,53 25.286,54 3.569,55 170.416,56 407.575,57 3.376,58 2.751,59 6.581,60 954,61 3.621,62 4.179,63 1.8,64 1.705,65 4.005,66 1,67 1.475,68 0.994,69 1,70 6.9}
{0 CHEMBL398951,1 3.154,2 2.614,3 3.829,5 14.968,6 4.014,7 3.656,8 3.768,9 3.389,10 9.095,11 3.806,12 3.707,13 0.294,14 0.01,15 24.074,16 3.902,17 3.715,18 464,19 3.713,20 415.54,21 5.884,22 3.801,23 1031,24 8.413,25 17.433,26 21.045,27 119.477,28 20.056,29 7.939,30 295.212,31 375.44,32 23308,33 2.866,34 515.786,35 0.353,37 5.623,38 42.918,39 11.924,40 3.136,41 3.664,42 2.927,43 15.314,44 44.044,45 1.91,46 39438,47 165,48 10.816,49 9.249,50 1866.61,51 28122.8,52 165.259,53 29.986,54 4.299,55 216.71,56 520.532,57 3.678,58 2.957,59 7.644,60 1800,61 3.634,62 4.642,63 1.945,64 1.767,65 4.187,66 1,67 1.45,68 0.961,69 1,70 5.4}
{0 CHEMBL402846,2 1.931,3 3.508,5 12,6 3.736,7 3.487,8 3.702,9 2.891,10 7.625,11 3.563,12 3.802,13 0.252,14 0.01,15 17.797,16 3.656,17 3.481,18 348,19 3.526,20 390.46,21 5.012,22 3.578,23 757,24 7.315,25 15.901,26 19.673,27 110.654,28 19.062,29 6.808,30 246.568,31 330.64,32 19168,33 2.786,34 457.978,35 0.449,37 5.496,38 28.088,39 11.943,40 3.048,41 3.534,42 2.764,43 13.508,44 45.042,45 1.785,46 34490,47 105,48 8.929,49 6.463,50 1516.95,51 21223.4,52 149.201,53 27.832,54 3.833,55 196.395,56 470.963,57 3.529,58 2.976,59 7.018,60 1234,61 3.759,62 4.371,63 1.862,64 1.762,65 4.101,66 1.053,67 1.5,68 1,69 1.053,70 5.7}
{0 CHEMBL404367,2 1.944,3 3.503,5 11.929,6 3.726,7 3.382,8 3.652,9 2.918,10 7.428,11 3.567,12 3.797,13 0.24,14 0.01,15 17.277,16 3.659,17 3.451,18 334,19 3.434,20 372.47,21 4.82,22 3.557,23 730,24 7.199,25 15.601,26 19.673,27 110.437,28 18.169,29 6.739,30 241.814,31 324.57,32 16653,33 2.782,34 455.144,35 0.45,37 5.313,38 27.143,39 11.801,40 3.015,41 3.523,42 2.764,43 13.508,44 42.765,45 1.242,46 28351,47 106,48 8.824,49 6.43,50 1408.38,51 19168,52 142.503,53 27.088,54 3.771,55 195.197,56 468.04,57 3.53,58 2.92,59 7.018,60 1102,61 3.759,62 4.345,63 1.862,64 1.762,65 4.07,66 1.053,67 1.5,68 1,69 1.053,70 6}
{0 CHEMBL406845,2 1.111,3 2.839,5 7.333,6 2.972,7 3.049,8 3.663,9 2.258,10 4.882,11 3.261,12 3.525,13 0.172,14 0.022,15 25.064,16 3.636,17 2.965,18 154,19 3.355,20 301.81,21 3.289,22 3.45,23 325,24 4.52,25 12.887,26 15.698,27 86.005,28 14.146,29 7.507,30 149.466,31 250.01,32 6391,33 2.499,34 377.91,35 0.9,37 5.087,38 13.932,39 9.941,40 2.858,41 3.251,42 2.618,43 10.165,44 31.846,45 1,46 10675,47 65,48 7.011,49 6.84,50 624.059,51 6362.19,52 91.739,53 20.052,54 2.443,55 154.288,56 368.223,57 3.275,58 2.434,59 7.096,60 516,61 3.501,62 4.333,63 1.778,64 1.659,65 3.775,66 -0.314,67 -0.407,68 -0.275,69 -0.314,70 5.3}
{0 CHEMBL411903,2 2.185,3 3.696,5 13.576,6 3.926,7 3.697,8 4.014,9 3.101,10 9.143,11 3.617,12 3.797,13 0.375,14 0.013,15 17.425,16 3.73,17 3.598,18 448,19 3.908,20 459.45,21 6.277,22 3.712,23 963,24 8.239,25 16.872,26 20.217,27 116.173,28 22.654,29 6.508,30 261.438,31 370.75,32 31816,33 2.78,34 486.328,35 0.414,37 5.778,38 35.64,39 11.829,40 3.265,41 3.592,42 2.735,43 14.081,44 54.756,45 1.802,46 65336,47 124,48 9.676,49 6.793,50 2072.83,51 32386.4,52 178.052,53 31.128,54 5.278,55 206.784,56 496.312,57 3.544,58 3.017,59 5.198,60 1852,61 3.689,62 4.461,63 1.825,64 1.746,65 4.224,66 1.366,67 1.821,68 1.317,69 1.366,70 6.9}
{0 CHEMBL412142,1 3.143,2 1.93,3 3.657,5 13.563,6 3.869,7 4.034,8 4.217,9 3.082,10 9.969,11 3.931,12 3.853,13 0.246,14 0.007,15 26.56,16 4.016,17 3.826,18 434,19 4.098,20 465.38,21 6.866,22 3.927,23 937,24 7.821,25 18.537,26 23.501,27 127.573,28 22.04,29 8.236,30 269.438,31 380.22,32 26474,33 3.053,34 538.661,35 0.446,37 5.756,38 37.266,39 11.125,40 3.385,41 3.614,42 2.832,43 16.107,44 51.963,45 1.947,46 50404,47 188,48 10.476,49 8.408,50 1918.85,51 28948,52 170.084,53 30.301,54 5.373,55 225.192,56 541.229,57 3.618,58 3.134,59 6.555,60 2024,61 3.741,62 4.64,63 1.805,64 1.7,65 4.198,66 1.088,67 1.514,68 1.011,69 1.088,70 5}
{0 CHEMBL415049,1 2.814,2 3.565,3 4.167,5 19.146,6 4.435,7 4.15,8 4.302,9 3.638,10 14.577,11 4.171,12 3.895,13 0.353,14 0.008,15 38.144,16 4.231,17 4.097,18 785,19 4.212,20 587.61,21 10.913,22 4.16,23 1650,24 11.233,25 23.182,26 28.624,27 151.061,28 30.693,29 11.844,30 421.48,31 491.92,32 60431,33 3.198,34 715.569,35 0.329,37 6.214,38 75.173,39 12.79,40 3.431,41 3.853,42 3.144,43 20.213,44 76.757,45 2.24,46 115228,47 261,48 14.38,49 12.816,50 3637.09,51 72448.5,52 242.237,53 38.116,54 9.955,55 285.061,56 687.309,57 3.858,58 3.36,59 6.555,60 4232,61 3.798,62 5.056,63 1.96,64 1.728,65 4.433,66 1.543,67 2.119,68 1.444,69 1.543,70 5.3}
{0 CHEMBL41783,1 2.686,2 1.852,3 3.411,5 10.923,6 3.602,7 3.521,8 3.751,9 2.921,10 7.752,11 3.387,12 3.62,13 0.279,14 0.012,15 16.884,16 3.479,17 3.364,18 284,19 3.676,20 360.41,21 5.431,22 3.492,23 595,24 6.531,25 14.384,26 16.941,27 92.456,28 18.214,29 4.551,30 216.705,31 298.69,32 14133,33 2.725,34 428.568,35 0.594,37 5.596,38 25.929,39 10.508,40 2.898,41 3.388,42 2.618,43 11.631,44 44.409,45 1.358,46 25158,47 113,48 8.062,49 4.241,50 1170.77,51 14774.2,52 127.973,53 25.225,54 4.165,55 175.399,56 419.734,57 3.37,58 2.775,59 6.823,60 1080,61 3.565,62 4.317,63 1.792,64 1.688,65 3.982,66 0.683,67 0.938,68 0.661,69 0.683,70 5}
{0 CHEMBL422897,2 1.217,3 3.146,5 9.179,6 3.27,7 3.985,8 4.168,9 2.594,10 7.408,11 3.903,12 3.692,13 0.39,14 0.013,15 29.706,16 3.998,17 3.826,18 257,19 4.086,20 401.87,21 5.099,22 3.954,23 553,24 5.48,25 15.979,26 20.499,27 107.239,28 19.273,29 9.737,30 253.323,31 349.66,32 14218,33 2.886,34 507.254,35 0.687,37 6.093,38 21.786,39 10.458,40 3.115,41 3.547,42 2.784,43 13.652,44 41.985,45 1.68,46 25573,47 100,48 9.385,49 9.96,50 1236.14,51 15412.4,52 136.101,53 25.805,54 3.43,55 194.325,56 465.914,57 3.551,58 2.903,60 1194,61 3.627,62 4.756,63 1.869,64 1.734,65 4.066,66 1.071,67 1.376,68 1.037,69 1.071,70 5.4}
{0 CHEMBL424872,2 1.746,3 3.434,5 11.192,6 3.656,7 3.445,8 3.639,9 2.888,10 8.179,11 3.463,12 3.743,13 0.329,14 0.016,15 20.756,16 3.545,17 3.367,18 291,19 3.535,20 374.46,21 6.201,22 3.476,23 589,24 6.84,25 15.13,26 19.57,27 97.336,28 19.711,29 6.251,30 214.705,31 330.05,32 15098,33 2.725,34 471.474,35 0.673,37 5.441,38 24.698,39 9.187,40 3.043,41 3.412,42 2.703,43 13.151,44 55.296,45 1.538,46 28170,47 90,48 9.556,49 6.023,50 1188.19,51 15385.3,52 129.17,53 25.394,54 4.955,55 187,56 448.04,57 3.445,58 2.635,60 1028,61 3.641,62 4.355,63 1.782,64 1.602,65 3.961,66 0.45,67 0.579,68 0.44,69 0.45,70 5.2}
{0 CHEMBL428690,2 1.217,3 3.146,5 9.179,6 3.27,7 3.985,8 4.168,9 2.594,10 7.408,11 3.903,12 3.692,13 0.39,14 0.013,15 29.706,16 3.998,17 3.826,18 257,19 4.086,20 401.87,21 5.099,22 3.954,23 553,24 5.48,25 15.979,26 20.499,27 107.239,28 19.273,29 9.737,30 253.323,31 349.66,32 14218,33 2.886,34 507.254,35 0.687,37 6.093,38 21.786,39 10.458,40 3.115,41 3.547,42 2.784,43 13.652,44 41.985,45 1.68,46 25573,47 100,48 9.385,49 9.96,50 1236.14,51 15412.4,52 136.101,53 25.805,54 3.43,55 194.325,56 465.914,57 3.551,58 2.903,60 1194,61 3.627,62 4.756,63 1.869,64 1.734,65 4.066,66 1.071,67 1.376,68 1.037,69 1.071,70 5}
{0 CHEMBL440084,1 3.367,2 1.539,3 3.32,5 10.207,6 3.507,7 3.824,8 3.938,9 2.767,10 7.169,11 3.933,12 3.8,13 0.36,14 0.01,15 20.011,16 3.968,17 3.866,18 296,19 3.968,20 384.42,21 4.355,22 3.929,23 661,24 6.293,25 15.254,26 19.794,27 105.223,28 17.619,29 8.451,30 225.524,31 322.45,32 17533,33 2.705,34 429.229,35 0.506,37 5.743,38 27.581,39 11.38,40 3.12,41 3.553,42 2.723,43 14.187,44 39.355,45 1.658,46 32410,47 118,48 9.005,49 7.249,50 1423.8,51 18918.4,52 145.519,53 27.219,54 3.29,55 188.872,56 452.608,57 3.535,58 2.814,59 7.424,60 1410,61 3.746,62 4.65,63 1.913,64 1.805,65 4.121,66 1,67 1.5,68 1,69 1,70 5.15}
{0 CHEMBL443962,2 1.321,3 3.054,5 8.389,6 3.132,7 3.171,8 3.149,9 2.53,10 4.614,11 2.734,12 3.787,13 0.104,14 0.013,15 13.194,16 2.872,17 2.554,18 151,19 3.293,20 304.16,21 2.958,22 2.778,23 328,24 4.783,25 11.255,26 13.535,27 72.677,28 11.54,29 3.089,30 121.851,31 206.27,32 5221,33 2.461,34 301.593,35 0.723,37 4.373,38 11.778,39 9.695,40 2.691,41 3.078,42 2.108,43 9.353,44 25.873,45 0.756,46 9482,47 56,48 6.204,49 2.379,50 479.225,51 4414.66,52 76.103,53 18.026,54 2.115,55 129.092,56 306.744,57 3.089,58 2.174,59 6.804,60 342,61 3.275,62 3.321,63 1.561,64 1.378,65 3.64,66 -0.614,67 -0.793,68 -0.454,69 -0.614,70 6.3}
{0 CHEMBL445813,1 2.599,2 1.645,3 3.288,5 10.12,6 3.468,7 3.707,8 3.873,9 2.699,10 8.188,11 3.471,12 3.692,13 0.155,14 0.007,15 23.465,16 3.659,17 3.399,18 253,19 3.951,20 382.28,21 5.961,22 3.611,23 536,24 6.073,25 14.747,26 18.811,27 95.872,28 18.201,29 5.815,30 198.477,31 311,32 12663,33 2.866,34 440.836,35 0.62,37 5.673,38 20.576,39 9.078,40 3.18,41 3.383,42 2.633,43 12.636,44 41.721,45 1.357,46 23382,47 90,48 8.623,49 5.395,50 1040.39,51 12671.9,52 120.624,53 24.271,54 4.331,55 180.206,56 431.462,57 3.39,58 2.707,59 6.581,60 922,61 3.639,62 4.405,63 1.652,64 1.56,65 3.944,66 0.756,67 1,68 0.719,69 0.756,70 5}
{0 CHEMBL450786,1 3.312,2 2.428,3 3.861,4 1,5 15.419,6 4.079,7 4.505,8 4.677,9 3.327,10 12.056,11 4.555,12 4.038,13 0.79,14 0.013,15 61.829,16 4.69,17 4.424,18 663,19 4.543,20 641.67,21 8.528,22 4.552,23 1458,24 8.971,25 26.503,26 31.716,27 171.59,28 30.417,29 20.224,30 427.523,31 554.35,32 51227,33 3.309,34 742.27,35 0.356,37 6.445,38 55.549,39 13.046,40 3.613,41 4.009,42 3.019,43 21.928,44 63.889,45 2.592,46 90226,47 227,48 16.997,49 22.144,50 3683.76,51 66496.7,52 247.671,53 38.019,54 5.927,55 312.122,56 753.339,57 4.062,58 3.436,59 8.148,60 3944,61 3.853,62 5.394,63 1.91,64 1.745,65 4.49,66 1.716,67 2.199,68 1.525,69 1.716,70 6.553}
{0 CHEMBL451401,1 2.675,2 0.625,3 2.258,5 4.25,6 2.245,8 0.788,9 1.483,10 2.518,12 3.168,16 0.626,18 51,19 0.042,20 161.18,21 1.502,22 0.348,23 106,24 2.982,25 6.242,26 8.552,27 44.404,28 7.159,30 78.711,31 129.03,32 1567,33 0.917,34 188.536,35 1.437,38 4.167,39 7.617,40 2.012,41 2.654,42 1.075,43 5.788,44 16.95,45 -1,46 2628,47 16,48 3.511,49 0.552,50 148.15,51 1053.87,52 40.568,53 11.681,54 1.068,55 82.465,56 192.973,57 2.636,58 1.41,59 6.605,60 94,61 3.042,63 1.345,64 1.119,65 3.23,66 -1.699,67 -2.428,68 -1.682,69 -1.699,70 4.3}
{0 CHEMBL458997,2 2.017,3 3.677,5 13.182,6 3.843,7 4.034,8 4.237,9 3.095,10 10.919,11 3.978,12 3.848,13 0.34,14 0.009,15 34.282,16 4.077,17 3.88,18 435,19 4.207,20 468.99,21 7.749,22 4.01,23 933,24 7.688,25 19.148,26 23.709,27 128.203,28 23.419,29 9.452,30 303.498,31 405.5,32 25893,33 2.968,34 573.173,35 0.461,37 5.899,38 36.132,39 11.488,40 3.303,41 3.661,42 2.907,43 16.373,44 54.394,45 1.8,46 45860,47 151,48 10.85,49 9.696,50 2029.04,51 30752.6,52 176.151,53 30.84,54 5.609,55 233.634,56 561.827,57 3.656,58 2.98,60 1951,61 3.64,62 4.83,63 1.849,64 1.708,65 4.229,66 1.155,67 1.571,68 1.108,69 1.155,70 5.4}
{0 CHEMBL461876,1 3.046,2 1.884,3 3.621,4 1,5 12.711,6 3.827,7 4.376,8 4.384,9 3.034,10 10.573,11 4.289,12 3.888,13 0.609,14 0.01,15 40.172,16 4.38,17 4.249,18 483,19 4.413,20 518.61,21 7.21,22 4.339,23 1042,24 7.75,25 21.132,26 26.104,27 141.121,28 25.915,29 12.159,30 361.189,31 441.72,32 35562,33 3.067,34 607.995,35 0.444,37 6.446,38 40.338,39 13.229,40 3.272,41 3.788,42 2.953,43 17.834,44 58.873,45 2.403,46 63796,47 179,48 11.883,49 12.454,50 2690.1,51 43873.7,52 209.176,53 34.018,54 5.188,55 255.617,56 615.465,57 3.769,58 3.129,59 7.424,60 2790,61 3.828,62 5.184,63 1.863,64 1.763,65 4.368,66 1.64,67 1.988,68 1.571,69 1.64,70 5.3}
{0 CHEMBL462120,2 0.914,3 2.717,5 6.368,6 2.787,7 1.858,8 3.543,9 2.115,10 4.629,11 2.223,12 3.599,13 0.02,14 0.01,15 10.435,16 3.075,17 1.935,18 121,19 3.031,20 270.73,21 2.952,22 2.883,23 259,24 4.105,25 10.738,26 13.905,27 76.305,28 12.117,29 2.85,30 134.452,31 234.06,32 5116,33 2.563,34 308.456,35 0.957,37 4.054,38 10.294,39 9.234,40 2.687,41 3.169,42 2.361,43 9.453,44 27.451,45 0.841,46 9139,47 46,48 6.208,49 5.264,50 476.552,51 4575.7,52 79.413,53 18.27,54 2.082,55 134.974,56 321.096,57 3.192,58 2.314,60 409,61 3.378,62 3.23,63 1.552,64 1.446,65 3.688,66 -0.658,67 -0.815,68 -0.479,69 -0.658,70 5.3}
{0 CHEMBL464552,1 3.069,2 1.893,3 3.673,4 1,5 13.282,6 3.86,7 4.417,8 4.423,9 3.097,10 11.182,11 4.344,12 3.892,13 0.622,14 0.01,15 42.727,16 4.439,17 4.302,18 518,19 4.445,20 532.64,21 7.705,22 4.386,23 1114,24 7.897,25 22.054,26 26.811,27 146.018,28 26.875,29 12.703,30 380.928,31 459.02,32 37481,33 3.067,34 636.818,35 0.441,37 6.455,38 42.312,39 13.321,40 3.353,41 3.818,42 2.954,43 18.372,44 61.241,45 2.403,46 66143,47 188,48 12.345,49 13.696,50 2860.34,51 47506.8,52 216.448,53 34.742,54 5.409,55 265.209,56 638.87,57 3.803,58 3.148,59 7.424,60 3005,61 3.83,62 5.233,63 1.863,64 1.764,65 4.393,66 1.64,67 1.988,68 1.571,69 1.64,70 5}
{0 CHEMBL468280,2 0.875,3 2.651,5 6.211,6 2.713,7 1.719,8 3.513,9 2.089,10 4.217,11 1.101,12 3.37,15 5.778,16 2.311,17 1.099,18 118,19 2.955,20 282.67,21 2.763,22 2.319,23 251,24 3.906,25 10.532,26 13.361,27 66.431,28 12.449,29 1.19,30 121.627,31 211.09,32 5680,33 2.162,34 297.109,35 1.046,37 4.148,38 9.873,39 9.128,40 2.807,41 3.067,42 1.971,43 8.919,44 27.448,45 0.916,46 11563,47 35,48 5.919,49 3.321,50 463.884,51 4370.18,52 78.535,53 17.961,54 1.654,55 121.242,56 287.591,57 3.022,58 2.34,59 6.843,60 294,61 3.268,62 2.538,63 1.459,64 1.402,65 3.681,66 -0.584,67 -0.698,68 -0.475,69 -0.584,70 5}
{0 CHEMBL474432,2 1.945,3 3.513,5 11.818,6 3.728,7 4.282,8 4.166,9 2.954,10 9.235,11 3.86,12 3.905,13 0.67,14 0.015,15 29.727,16 3.985,17 3.881,18 390,19 4.26,20 478.48,21 6.547,22 3.97,23 828,24 7.214,25 18.159,26 21.604,27 114.465,28 23.394,29 10.668,30 249.928,31 372.39,32 28334,33 3.055,34 522.666,35 0.511,37 6.169,38 33.19,39 12.201,40 3.171,41 3.617,42 2.878,43 14.92,44 54.259,45 1.776,46 57749,47 138,48 10.287,49 9.99,50 1968.17,51 29148.9,52 174.339,53 30.422,54 4.657,55 211.25,56 507.209,57 3.591,58 3.135,59 7.535,60 1872,61 3.817,62 4.7,63 1.646,64 1.554,65 4.22,66 1.15,67 1.616,68 1.021,69 1.15,70 5.1}
{0 CHEMBL475251,2 2.118,3 3.693,5 13.294,6 3.885,7 3.99,8 4.061,9 3.125,10 9.581,11 3.738,12 3.784,13 0.476,14 0.012,15 24.284,16 3.875,17 3.776,18 452,19 4.009,20 470.51,21 6.748,22 3.849,23 963,24 7.926,25 19.148,26 23.587,27 120.223,28 23.946,29 6.132,30 271.681,31 396.64,32 29510,33 2.979,34 567.606,35 0.452,37 5.985,38 36.18,39 11.706,40 3.144,41 3.639,42 2.874,43 15.822,44 57.072,45 2.154,46 54611,47 140,48 10.119,49 8.513,50 2179.36,51 33835.9,52 183.474,53 31.555,54 5.018,55 224.9,56 540.515,57 3.59,58 3.078,60 2092,61 3.619,62 4.682,63 1.823,64 1.706,65 4.251,66 1.171,67 1.625,68 1.151,69 1.171,70 5.15}
{0 CHEMBL477772,2 1.973,3 3.556,5 11.968,6 3.766,7 3.856,8 3.915,9 2.946,10 7.929,11 3.88,12 3.85,13 0.387,14 0.011,15 21.137,16 3.859,17 3.799,18 371,19 3.942,20 437.58,21 5.436,22 3.799,23 797,24 7.362,25 18.473,26 22.586,27 122.737,28 21.253,29 7.269,30 285.744,31 365.51,32 21887,33 2.878,34 521.755,35 0.468,37 5.703,38 30.508,39 12.325,40 3.109,41 3.62,42 2.887,43 15.524,44 49.612,45 1.754,46 38562,47 116,48 11.085,49 6.991,50 1751.26,51 25249.5,52 162.049,53 29.198,54 4.256,55 220.046,56 528.671,57 3.648,58 3.112,59 7.002,60 1567,61 3.672,62 4.578,63 1.837,64 1.732,65 4.159,66 1.154,67 1.711,68 1.141,69 1.154,70 5.329}
{0 CHEMBL481491,2 1.748,3 3.336,5 10.31,6 3.546,7 4.085,8 3.933,9 2.777,10 7.619,11 3.689,12 3.904,13 0.493,14 0.014,15 22.046,16 3.81,17 3.71,18 299,19 4.039,20 417.44,21 5.155,22 3.789,23 646,24 6.491,25 15.628,26 18.449,27 103.36,28 19.62,29 8.364,30 212.574,31 322.42,32 19677,33 2.781,34 434.29,35 0.534,37 6.017,38 25.486,39 11.779,40 3.171,41 3.514,42 2.762,43 13.039,44 44.6,45 1.485,46 39587,47 102,48 9.3,49 7.714,50 1439.87,51 19424.4,52 146.475,53 27.298,54 3.91,55 186.871,56 447.724,57 3.509,58 2.862,59 7.535,60 1360,61 3.819,62 4.537,63 1.652,64 1.559,65 4.099,66 1.054,67 1.544,68 0.954,69 1.054,70 5.1}
{0 CHEMBL482538,1 3.119,2 0.853,3 2.606,4 1,5 5.733,6 2.644,7 0.399,8 2.544,9 1.933,10 3.336,11 1.249,12 3.265,15 3.082,16 2.271,17 0.958,18 86,19 1.743,20 194.25,21 1.866,22 2.059,23 191,24 3.661,25 8.143,26 10.088,27 60.076,28 8.392,29 1.051,30 105.342,31 167.2,32 2565,33 1.888,34 234.599,35 0.969,37 2.918,38 6.516,39 9.315,40 2.447,41 2.976,42 1.824,43 7.449,44 19.83,45 -0.435,46 4013,47 30,48 4.925,49 2.358,50 277.582,51 2237.84,52 57.111,53 14.833,54 1.356,55 106.388,56 251.346,57 3.004,58 2,59 6.605,60 206,61 3.232,62 2.428,63 1.638,64 1.462,65 3.477,66 -1,67 -1.5,68 -0.947,69 -1,70 5.4}
{0 CHEMBL482767,2 2.276,3 3.623,5 12.821,6 3.875,7 3.989,8 3.886,9 3.023,10 9.009,11 3.669,12 3.994,13 0.188,14 0.007,15 20.255,16 3.724,17 3.529,18 359,19 3.926,20 430.98,21 6.221,22 3.574,23 789,24 7.942,25 16.866,26 20.554,27 115.077,28 19.335,29 6.607,30 229.329,31 327.54,32 20925,33 2.849,34 467.438,35 0.382,37 5.342,38 29.837,39 11.334,40 3.255,41 3.509,42 2.706,43 14.821,44 42.847,45 1.338,46 41022,47 108,48 10.45,49 7.372,50 1464.62,51 21034.2,52 145.183,53 27.632,54 5.099,55 199.942,56 479.618,57 3.557,58 2.837,59 7.273,60 1280,61 3.824,62 4.168,63 1.758,64 1.618,65 4.073,66 1,67 1.35,68 0.875,69 1,70 5.5}
{0 CHEMBL482967,2 1.87,3 3.514,5 11.692,6 3.671,7 3.445,8 3.618,9 2.936,10 7.66,11 3.476,12 3.706,13 0.177,14 0.008,15 17.139,16 3.547,17 3.36,18 304,19 3.47,20 368.51,21 5.109,22 3.427,23 669,24 6.838,25 15.292,26 18.286,27 105.217,28 17.342,29 5.456,30 215.329,31 310,32 13938,33 2.725,34 440.21,35 0.458,37 5.113,38 24.982,39 10.571,40 2.986,41 3.465,42 2.735,43 13.095,44 38.289,45 1.256,46 24057,47 100,48 9.266,49 5.984,50 1193.18,51 15287.4,52 129.04,53 25.485,54 4.034,55 186.333,56 446.412,57 3.493,58 2.705,59 6.783,60 982,61 3.528,62 4.182,63 1.826,64 1.627,65 4.004,66 1,67 1.239,68 0.946,69 1,70 6.6}
{0 CHEMBL483158,2 1.984,3 3.587,5 12.595,6 3.796,7 4.255,8 4.486,9 3.064,10 10.268,11 4.151,12 3.865,13 0.462,14 0.01,15 31.876,16 4.293,17 4.088,18 466,19 4.442,20 518.96,21 6.895,22 4.236,23 1008,24 7.516,25 20.506,26 25.733,27 136.709,28 24.845,29 10.861,30 308.965,31 433.74,32 34986,33 3.09,34 592.505,35 0.466,37 6.176,38 41.284,39 13.478,40 3.244,41 3.766,42 2.956,43 17.767,44 56.639,45 2.34,46 68062,47 175,48 11.49,49 13.019,50 2528.08,51 39567.1,52 201.099,53 33.193,54 4.792,55 244.506,56 588.355,57 3.751,58 3.09,59 5.38,60 2524,61 3.791,62 4.903,63 1.938,64 1.857,65 4.348,66 1.356,67 1.95,68 1.341,69 1.356,70 5.3}
{0 CHEMBL483321,2 2.784,3 3.939,5 16.286,6 4.125,7 3.921,8 4.015,9 3.476,10 11.563,11 4.071,12 3.769,13 0.3,14 0.008,15 26.418,16 4.16,17 3.981,18 570,19 3.979,20 469.59,21 8.04,22 4.063,23 1212,24 9.067,25 19.909,26 24.623,27 136.188,28 24.336,29 10.123,30 348.896,31 429.67,32 32566,33 2.999,34 609.582,35 0.393,37 5.859,38 52.617,39 13.066,40 3.21,41 3.741,42 3.017,43 17.012,44 59.763,45 1.956,46 56117,47 223,48 11.168,49 10.971,50 2454.23,51 40836.7,52 193.894,53 33.048,54 6.631,55 248.094,56 597.11,57 3.75,58 3.199,60 2673,61 3.735,62 4.817,63 1.938,64 1.81,65 4.286,66 1.383,67 1.796,68 1.297,69 1.383,70 5}
{0 CHEMBL484390,2 2.118,3 3.702,5 13.471,6 3.857,7 3.988,8 4.143,9 3.231,10 10.847,11 4.265,12 3.779,13 0.414,14 0.01,15 35.619,16 4.317,17 4.135,18 458,19 4.099,20 457.63,21 7.652,22 4.208,23 977,24 7.729,25 19.881,26 24.079,27 131.385,28 23.984,29 12.922,30 340.434,31 437.06,32 24965,33 2.949,34 619.031,35 0.481,37 5.996,38 41.336,39 11.184,40 3.345,41 3.758,42 2.941,43 16.512,44 56.782,45 1.913,46 39561,47 178,48 12.109,49 13.074,50 2163.59,51 33318.3,52 182.669,53 31.56,54 5.343,55 249.953,56 601.645,57 3.794,58 3.034,59 7.034,60 2166,61 3.771,62 5.052,63 2.008,64 1.87,65 4.254,66 1.187,67 1.5,68 1.169,69 1.187,70 5.4}
{0 CHEMBL49120,2 2.616,3 3.841,5 15.543,6 4.087,7 3.837,8 4.239,9 3.343,10 11.4,11 4.011,12 3.819,13 0.397,14 0.012,15 25.492,16 4.124,17 3.885,18 544,19 4.124,20 512.48,21 8.291,22 4.019,23 1158,24 8.97,25 21.398,26 25.949,27 141.845,28 25.456,29 10.048,30 316.896,31 450.18,32 32213,33 3.073,34 633.625,35 0.402,37 5.723,38 50.041,39 11.945,40 3.426,41 3.749,42 3.008,43 17.483,44 60.055,45 2.106,46 54785,47 203,48 12.199,49 10.225,50 2431.47,51 39901.3,52 193.199,53 32.883,54 5.786,55 257.026,56 618.904,57 3.772,58 3.189,60 2341,61 3.714,62 4.758,63 1.943,64 1.773,65 4.282,66 1.193,67 1.5,68 1.094,69 1.193,70 7.1}
{0 CHEMBL491473,1 3.124,2 2.498,3 3.693,4 1,5 13.576,6 3.903,7 3.993,8 4.06,9 3.279,10 9.638,11 4.034,12 3.729,13 0.411,14 0.01,15 25.697,16 4.038,17 3.979,18 448,19 4.015,20 450.56,21 6.45,22 3.996,23 993,24 7.904,25 18.858,26 21.916,27 124.882,28 22.084,29 9.439,30 313.394,31 388.34,32 24894,33 2.925,34 543.567,35 0.398,37 5.831,38 40.777,39 12.731,40 3.286,41 3.709,42 2.822,43 15.691,44 47.967,45 1.863,46 41140,47 166,48 11.257,49 9.673,50 2060.66,51 31239.1,52 176.565,53 31.049,54 4.671,55 227.63,56 547.176,57 3.709,58 2.95,59 7.273,60 2042,61 3.693,62 4.778,63 1.901,64 1.663,65 4.241,66 1.332,67 1.522,68 1.206,69 1.332,70 5.8}
{0 CHEMBL491758,2 1.488,3 3.232,5 9.238,6 3.333,7 2.947,8 3.426,9 2.701,10 6.227,11 3.071,12 3.712,13 0.103,14 0.007,15 11.175,16 3.254,17 2.998,18 194,19 3.239,20 280.33,21 3.966,22 3.215,23 419,24 5.52,25 11.123,26 13.623,27 80.171,28 13.376,29 3.96,30 131.464,31 241.89,32 7623,33 2.598,34 336.706,35 0.628,37 5.069,38 16.667,39 9.75,40 2.687,41 3.219,42 2.482,43 9.899,44 32.176,45 1,46 13138,47 63,48 6.478,49 4.064,50 699.892,51 7533.3,52 95.438,53 21.007,54 3.482,55 144.097,56 343.355,57 3.218,58 2.395,60 567,61 3.603,62 3.896,63 1.749,64 1.685,65 3.789,70 6.1}
{0 CHEMBL494089,2 1.652,3 3.3,5 10.226,6 3.515,7 3.964,8 4.205,9 2.777,10 8.935,11 4.127,12 3.71,13 0.454,14 0.012,15 34.2,16 4.198,17 4.031,18 317,19 4.191,20 425.55,21 6.263,22 4.144,23 676,24 6.431,25 17.974,26 22.01,27 117.484,28 21.728,29 10.099,30 303.498,31 371.97,32 18582,33 2.921,34 565.215,35 0.594,37 5.95,38 33.205,39 10.987,40 3.175,41 3.615,42 2.89,43 14.87,44 48.939,45 1.607,46 30519,47 135,48 10.438,49 9.718,50 1634.28,51 22872.1,52 158.544,53 28.671,54 4.73,55 218.766,56 525.548,57 3.613,58 3.15,59 7.545,60 1787,61 3.599,62 5.003,63 1.883,64 1.687,65 4.164,66 1,67 1.369,68 0.954,69 1,70 5}
{0 CHEMBL497151,2 1.573,3 3.273,5 9.826,6 3.39,7 4.014,8 3.866,9 2.736,10 6.143,11 3.312,12 3.777,13 0.164,14 0.01,15 24.73,16 3.508,17 3.087,18 226,19 3.954,20 437.23,21 4.003,22 3.355,23 500,24 5.672,25 14.407,26 17.665,27 91.792,28 14.986,29 5.76,30 145.58,31 254.42,32 11217,33 2.595,34 372.466,35 0.569,37 5.047,38 18.957,39 11.24,40 2.928,41 3.302,42 2.311,43 12.461,44 31.865,45 1,46 23248,47 83,48 8.424,49 5.365,50 857.749,51 9608.25,52 107.197,53 22.499,54 3.084,55 159.823,56 381.728,57 3.346,58 2.716,59 7.413,60 713,61 3.457,62 3.718,63 1.476,64 1.523,65 3.888,66 0.663,67 0.945,68 0.558,69 0.663,70 6.4}
{0 CHEMBL508928,2 2.466,3 3.805,5 14.606,6 4.006,7 3.679,8 3.907,9 3.294,10 8.601,11 3.836,12 3.849,13 0.305,14 0.01,15 19.357,16 3.898,17 3.747,18 482,19 3.761,20 438.54,21 5.483,22 3.821,23 1067,24 8.451,25 18.15,26 22.949,27 127.739,28 21.038,29 7.411,30 289.71,31 369.93,32 27326,33 2.903,34 517.977,35 0.36,37 5.554,38 42.77,39 13.218,40 3.219,41 3.67,42 2.817,43 15.974,44 48.258,45 1.722,46 47621,47 156,48 10.341,49 7.382,50 2115.19,51 32879.1,52 178.416,53 31.311,54 4.276,55 224.314,56 539.086,57 3.668,58 3.159,59 7.413,60 1976,61 3.82,62 4.537,63 1.836,64 1.764,65 4.238,66 1.181,67 1.729,68 1.178,69 1.181,70 6.6}
{0 CHEMBL50894,1 3.284,2 1.215,3 2.931,4 1,5 7.636,6 3.038,7 2.928,8 3.475,9 2.431,10 4.682,11 2.564,12 3.636,13 0.149,14 0.012,15 7.864,16 3.062,17 2.609,18 168,19 3.117,20 293.3,21 2.776,22 3.037,23 370,24 4.631,25 11.421,26 15.267,27 81.229,28 13.044,29 2.556,30 158.465,31 238.83,32 7944,33 2.614,34 315.229,35 0.76,37 5.487,38 14.025,39 11.235,40 2.829,41 3.272,42 2.491,43 10.631,44 29.661,45 1.218,46 15013,47 59,48 6.815,49 4.386,50 701.83,51 7243,52 97.602,53 20.857,54 2.021,55 140.699,56 335.066,57 3.26,58 2.613,59 7.222,60 530,61 3.423,62 3.623,63 1.737,64 1.599,65 3.848,66 -0.018,67 -0.022,68 -0.017,69 -0.018,70 7.4}
{0 CHEMBL509032,2 2.931,3 3.996,5 16.976,6 4.222,7 4.401,8 4.567,9 3.529,10 13.456,11 4.44,12 3.903,13 0.542,14 0.01,15 52.656,16 4.505,17 4.314,18 713,19 4.534,20 614.29,21 9.927,22 4.394,23 1538,24 9.788,25 26.25,26 30.605,27 170.073,28 30.985,29 15.458,30 437.545,31 546.39,32 48895,33 3.134,34 779.581,35 0.347,37 6.273,38 58.993,39 12.552,40 3.548,41 3.968,42 3.009,43 21.228,44 69.213,45 2.295,46 80267,47 278,48 16.329,49 16.151,50 3635.4,51 67680.4,52 244.023,53 37.898,54 7.207,55 314.24,56 758.505,57 4.017,58 3.411,60 3848,61 3.712,62 5.262,63 1.976,64 1.829,65 4.464,66 1.52,67 1.9,68 1.408,69 1.52,70 6.257}
{0 CHEMBL513846,2 1.524,3 3.274,5 10.043,6 3.421,7 3.113,8 3.492,9 2.707,10 5.759,11 3.181,12 3.815,13 0.196,14 0.011,15 10.668,16 3.302,17 3.113,18 231,19 3.299,20 322.42,21 3.597,22 3.185,23 514,24 5.807,25 13.21,26 16.165,27 90.565,28 14.364,29 3.898,30 179.995,31 257.16,32 9686,33 2.687,34 373.181,35 0.545,37 4.868,38 18.34,39 11.382,40 2.839,41 3.348,42 2.715,43 11.658,44 31.989,45 1,46 17092,47 86,48 8.042,49 5.101,50 865.446,51 9755.37,52 107.621,53 22.587,54 2.734,55 160.224,56 382.708,57 3.379,58 2.688,59 7.526,60 686,61 3.704,62 3.817,63 1.769,64 1.62,65 3.888,66 0.464,67 0.684,68 0.419,69 0.464,70 5.4}
{0 CHEMBL513909,2 2.488,3 3.72,5 14.237,6 3.97,7 4.107,8 4.35,9 3.242,10 11.665,11 4.326,12 3.73,13 0.502,14 0.011,15 46.069,16 4.452,17 4.205,18 541,19 4.183,20 521.74,21 8.292,22 4.321,23 1181,24 8.367,25 22.866,26 26.811,27 148.213,28 27.013,29 13.81,30 421.523,31 491.61,32 32586,33 3.054,34 699.295,35 0.402,37 6.139,38 45.526,39 10.981,40 3.332,41 3.869,42 2.978,43 18.389,44 59.237,45 2.176,46 50645,47 224,48 13.766,49 14.967,50 2790.61,51 46312.4,52 211.289,53 34.488,54 5.602,55 278.519,56 671.346,57 3.892,58 3.425,59 6.293,60 2746,61 3.689,62 5.263,63 1.967,64 1.815,65 4.37,66 1.272,67 1.692,68 1.27,69 1.272,70 5}
{0 CHEMBL514499,2 1.945,3 3.513,5 11.818,6 3.728,7 4.276,8 4.16,9 2.954,10 9.235,11 3.919,12 3.905,13 0.67,14 0.015,15 31.216,16 4.027,17 3.912,18 390,19 4.251,20 477.5,21 6.547,22 3.991,23 828,24 7.214,25 18.289,26 21.604,27 116.287,28 23.394,29 10.77,30 255.029,31 374.6,32 27904,33 3.056,34 516.675,35 0.511,37 6.146,38 33.19,39 12.201,40 3.21,41 3.624,42 2.933,43 14.92,44 54.259,45 1.776,46 56023,47 138,48 10.352,49 10.193,50 1968.17,51 29148.9,52 174.339,53 30.422,54 4.657,55 214.048,56 514.037,57 3.604,58 3.141,59 7.535,60 1872,61 3.82,62 4.741,63 1.654,64 1.559,65 4.22,66 1.15,67 1.616,68 1.021,69 1.15,70 6.6}
{0 CHEMBL519697,2 2.241,3 3.708,5 13.516,6 3.853,7 3.727,8 3.923,9 3.244,10 8.916,11 3.982,12 3.778,13 0.332,14 0.01,15 26.529,16 4.049,17 3.855,18 419,19 3.881,20 415.54,21 6.066,22 3.953,23 902,24 7.606,25 17.76,26 21.957,27 117.512,28 21.091,29 9.656,30 280.192,31 385.16,32 21082,33 2.866,34 540.801,35 0.458,37 5.74,38 35.347,39 11.045,40 3.178,41 3.645,42 2.885,43 14.974,44 49.614,45 1.868,46 34910,47 157,48 10.532,49 9.771,50 1791.62,51 25893.7,52 162.693,53 29.443,54 4.332,55 221.176,56 531.429,57 3.668,58 3.002,59 7.018,60 1630,61 3.77,62 4.772,63 2.004,64 1.868,65 4.164,66 1,67 1.321,68 1,69 1,70 5.7}
{0 CHEMBL521851,1 3.03,2 1.86,3 3.527,5 12.029,6 3.765,7 4.373,8 4.34,9 2.952,10 9.376,11 4.333,12 4.056,13 0.369,14 0.007,15 41.626,16 4.342,17 4.213,18 421,19 4.376,20 513.71,21 6.23,22 4.235,23 945,24 7.405,25 21.108,26 24.597,27 136.875,28 23.255,29 13.47,30 320.405,31 407.97,32 29135,33 2.949,34 567.985,35 0.409,37 5.977,38 39.378,39 12.708,40 3.417,41 3.78,42 2.941,43 18.256,44 46.915,45 1.945,46 53154,47 159,48 14.352,49 12.865,50 2240.01,51 34343.3,52 187.789,53 31.943,54 4.681,55 245.425,56 590.598,57 3.821,58 3.318,59 7.424,60 2196,61 3.949,62 5.064,63 1.928,64 1.791,65 4.307,66 1.442,67 1.679,68 1.331,69 1.442,70 5}
{0 CHEMBL522892,1 3.155,2 1.812,3 3.45,5 11.483,6 3.607,7 3.529,8 3.899,9 2.935,10 6.954,11 3.669,12 3.701,13 0.277,14 0.011,15 19.425,16 3.765,17 3.571,18 333,19 3.733,20 392.48,21 4.391,22 3.722,23 743,24 6.538,25 15.998,26 19.25,27 110.583,28 18.311,29 6.969,30 253.438,31 334.46,32 16738,33 2.866,34 439.701,35 0.478,37 5.461,38 26.894,39 12.036,40 3.042,41 3.569,42 2.855,43 13.597,44 39.68,45 1.568,46 28665,47 129,48 9.547,49 6.256,50 1464.55,51 19174.4,52 146.101,53 27.297,54 3.117,55 194.856,56 467.209,57 3.564,58 3.062,59 6.843,60 1256,61 3.604,62 4.466,63 1.909,64 1.716,65 4.117,66 1.179,67 1.604,68 1.14,69 1.179,70 6.796}
{0 CHEMBL52387,2 1.462,3 3.228,5 9.462,6 3.393,7 3.736,8 3.827,9 2.676,10 8.475,11 4.031,12 3.6,13 0.38,14 0.012,15 30.375,16 3.969,17 3.9,18 246,19 3.846,20 354.51,21 6.069,22 3.896,23 513,24 5.937,25 15.476,26 18.518,27 106.143,28 18.617,29 9.501,30 257.403,31 323.79,32 11124,33 2.717,34 500.084,35 0.678,37 5.779,38 24.935,39 10.168,40 3.093,41 3.472,42 2.735,43 12.618,44 43.987,45 1.075,46 16884,47 96,48 9.017,49 6.888,50 1102.79,51 13859,52 126.185,53 24.877,54 4.34,55 195.115,56 467.841,57 3.496,58 2.77,59 6.862,60 1070,61 3.55,62 4.877,63 1.937,64 1.691,65 3.986,66 0.618,67 0.618,68 0.572,69 0.618,70 5}
{0 CHEMBL525191,2 1.414,3 3.21,5 9.36,6 3.343,7 3.498,8 3.71,9 2.695,10 6.692,11 3.676,12 3.67,13 0.268,14 0.011,15 22.914,16 3.849,17 3.571,18 234,19 3.659,20 334.41,21 4.244,22 3.744,23 510,24 5.622,25 13.631,26 17.225,27 95.753,28 15.854,29 7.773,30 215.329,31 292.94,32 11139,33 2.653,34 425.439,35 0.614,37 5.628,38 21.267,39 10.852,40 2.935,41 3.433,42 2.527,43 12.296,44 35.704,45 1.473,46 19534,47 93,48 8.232,49 8.453,50 1002.81,51 11865.8,52 118.82,53 23.89,54 2.917,55 172.274,56 412.11,57 3.444,58 2.633,59 7.526,60 939,61 3.574,62 4.589,63 1.806,64 1.592,65 3.968,66 0.789,67 1.052,68 0.752,69 0.789,70 5.638}
{0 CHEMBL526133,1 2.909,2 1.318,3 3.132,5 8.591,6 3.234,7 3.059,8 3.488,9 2.534,10 5.153,11 3.131,12 3.644,13 0.141,14 0.009,15 9.464,16 3.306,17 3.054,18 189,19 3.282,20 288.33,21 3.008,22 3.27,23 424,24 5.209,25 11.576,26 14.941,27 85.795,28 12.839,29 3.742,30 159.464,31 246.91,32 8179,33 2.606,34 326.189,35 0.612,37 5.093,38 15.521,39 10.786,40 2.844,41 3.291,42 2.515,43 10.793,44 29.834,45 1.065,46 14496,47 64,48 6.898,49 4.023,50 747.001,51 8027.79,52 99.962,53 21.468,54 2.43,55 146.166,56 348.405,57 3.291,58 2.518,59 6.581,60 610,61 3.529,62 3.87,63 1.675,64 1.578,65 3.85,66 0.409,67 0.604,68 0.396,69 0.409,70 6.2}
{0 CHEMBL535,1 3.187,2 2.105,3 3.48,4 1,5 11.655,6 3.702,7 3.837,8 3.905,9 2.945,10 8.934,11 3.927,12 3.619,13 0.463,14 0.014,15 29.772,16 3.978,17 3.851,18 338,19 3.867,20 398.53,21 6.557,22 3.895,23 707,24 7.02,25 17.28,26 20.259,27 113.678,28 21.284,29 9.203,30 284.192,31 376.81,32 16865,33 2.944,34 524.859,35 0.58,37 6.073,38 30.19,39 10.273,40 3.04,41 3.578,42 2.856,43 13.456,44 52.559,45 1.567,46 26966,47 128,48 9.879,49 9.612,50 1503.13,51 20612.1,52 148.127,53 27.641,54 4.439,55 212.57,56 510.432,57 3.603,58 2.899,59 7.703,60 1395,61 3.55,62 4.825,63 1.845,64 1.685,65 4.082,66 0.787,67 1.057,68 0.771,69 0.787,70 6.854}
{0 CHEMBL535331,1 6.385,2 1.388,3 3.258,4 1,5 9.619,6 3.395,7 3.031,8 3.018,9 2.661,10 5.073,11 3.129,12 3.436,13 0.103,14 0.006,15 8.112,16 3.049,17 3.069,18 202,19 3.05,20 275.34,21 2.942,22 3.011,23 459,24 5.846,25 11.168,26 14.071,27 83.932,28 12.179,29 3.024,30 160.974,31 223.56,32 7772,33 2.372,34 310.614,35 0.485,37 4.726,38 14.476,39 11.776,40 2.793,41 3.253,42 2.335,43 10.399,44 28.306,45 1.092,46 13171,47 54,48 6.7,49 2.669,50 712.995,51 7812.64,52 96.399,53 21.178,54 2.3,55 142.299,56 338.97,57 3.255,58 2.495,59 7.516,60 504,61 3.357,62 3.742,63 1.706,64 1.584,65 3.81,66 0.347,67 0.521,68 0.328,69 0.347,70 5.6}
{0 CHEMBL539474,2 1.383,3 3.013,4 1,5 8.048,6 3.183,7 2.957,8 3.196,9 2.453,10 4.742,11 2.969,12 3.623,13 0.182,14 0.013,15 10.289,16 3.134,17 2.92,18 169,19 3.042,20 281.34,21 2.858,22 3.045,23 380,24 5.086,25 11.503,26 14.397,27 78.274,28 12.659,29 3.156,30 178.117,31 246.22,32 7001,33 2.511,34 324.694,35 0.624,37 4.901,38 14.98,39 9.649,40 2.78,41 3.273,42 2.454,43 10.22,44 28.077,45 1.038,46 11979,47 51,48 7.12,49 4.389,50 668.459,51 6919.53,52 93.695,53 20.557,54 2.067,55 142.558,56 339.601,57 3.276,58 2.328,59 7.273,60 466,61 3.599,62 3.836,63 1.687,64 1.556,65 3.802,66 0.028,67 0.034,68 0.028,69 0.028,70 6.4}
{0 CHEMBL546797,1 6.255,2 1.252,3 3.029,5 7.905,6 3.147,7 2.75,8 3.405,9 2.47,10 4.719,11 3.129,12 3.487,13 0.099,14 0.008,15 10.847,16 3.175,17 3.002,18 166,19 3.269,20 277.31,21 2.724,22 3.188,23 374,24 4.955,25 10.908,26 14.234,27 76.816,28 12.119,29 3.97,30 128,31 215.05,32 7138,33 2.285,34 309.163,35 0.647,37 4.844,38 14.408,39 11.098,40 2.791,41 3.221,42 2.086,43 10.348,44 27.95,45 1.305,46 12551,47 51,48 6.473,49 2.991,50 660.836,51 6830.43,52 93.376,53 20.511,54 1.988,55 136.703,56 325.316,57 3.203,58 2.495,59 7.535,60 543,61 3.403,62 3.89,63 1.661,64 1.615,65 3.807,66 0.347,67 0.521,68 0.328,69 0.347,70 5.3}
{0 CHEMBL550418,2 1.467,3 3.231,5 9.423,6 3.367,7 3.418,8 3.68,9 2.676,10 6.46,11 3.465,12 3.696,13 0.241,14 0.01,15 16.024,16 3.618,17 3.409,18 245,19 3.553,20 348.38,21 4.125,22 3.563,23 534,24 5.71,25 13.907,26 18.259,27 96.729,28 16.603,29 6.099,30 212.968,31 303.18,32 12620,33 2.746,34 422.731,35 0.606,37 5.478,38 20.426,39 11.392,40 2.975,41 3.451,42 2.645,43 12.563,44 37.938,45 1.414,46 22984,47 86,48 7.984,49 6.613,50 1094.38,51 13133.1,52 124.966,53 24.584,54 2.961,55 173.343,56 414.718,57 3.439,58 2.768,59 5.38,60 898,61 3.672,62 4.299,63 1.853,64 1.761,65 4.003,66 0.531,67 0.615,68 0.464,69 0.531,70 5.3}
{0 CHEMBL553,2 1.874,3 3.483,5 11.345,6 3.63,7 3.861,8 4.008,9 2.957,10 10.632,11 3.961,12 3.52,13 0.303,14 0.009,15 30.36,16 4.04,17 3.89,18 329,19 3.969,20 393.48,21 7.655,22 3.981,23 682,24 6.746,25 16.475,26 20.476,27 110.749,28 20.879,29 9.574,30 254.913,31 361.14,32 17099,33 2.875,34 523.983,35 0.619,37 5.891,38 32.749,39 11.095,40 3.173,41 3.534,42 2.825,43 14.245,44 52.144,45 1.506,46 28979,47 130,48 9.108,49 9.44,50 1473.82,51 20207.6,52 147.354,53 27.527,54 5.582,55 206.716,56 496.146,57 3.526,58 2.663,60 1486,61 3.37,62 4.868,63 1.763,64 1.514,65 4.097,66 0.757,67 0.885,68 0.658,69 0.757,70 5.15}
{0 CHEMBL554,2 3.11,3 4.033,5 17.4,6 4.275,7 4.341,8 4.381,9 3.504,10 12.359,11 4.213,12 3.992,13 0.45,14 0.009,15 35.717,16 4.32,17 4.146,18 696,19 4.433,20 581.11,21 8.671,22 4.243,23 1499,24 10.081,25 23.098,26 27.994,27 152.448,28 28.063,29 12.338,30 384.175,31 478.59,32 52166,33 3.21,34 661.237,35 0.328,37 6.171,38 67.613,39 14.284,40 3.396,41 3.881,42 3.041,43 20.053,44 64.222,45 2.239,46 99733,47 246,48 14.834,49 12.827,50 3334.52,51 61875.3,52 231.191,53 36.86,54 7.595,55 277.749,56 669.468,57 3.908,58 3.324,59 6.581,60 3850,61 3.865,62 4.938,63 1.925,64 1.845,65 4.421,66 1.472,67 1.979,68 1.329,69 1.472,70 5.15}
{0 CHEMBL558752,1 2.459,2 2.662,3 3.885,5 15.514,6 4.124,7 4.136,8 4.143,9 3.357,10 9.222,11 3.832,12 3.879,13 0.521,14 0.012,15 18.967,16 3.937,17 3.859,18 574,19 4.074,20 518.46,21 6.186,22 3.946,23 1245,24 9.177,25 18.816,26 21.372,27 120.68,28 24.82,29 7.413,30 281.315,31 386.99,32 46668,33 2.886,34 510.362,35 0.349,37 6.21,38 49.779,39 13.795,40 3.311,41 3.695,42 2.831,43 15.047,44 57.142,45 1.957,46 101580,47 182,48 10.649,49 9.059,50 2746.75,51 46955.7,52 207.618,53 34.306,54 5.313,55 220.842,56 530.615,57 3.631,58 3.403,59 7.535,60 2716,61 3.828,62 4.679,63 1.898,64 1.812,65 4.34,66 1.538,67 2.008,68 1.388,69 1.538,70 5.886}
{0 CHEMBL560813,2 1.904,3 3.559,5 12.2,6 3.713,7 3.259,8 3.44,9 3.063,10 6.958,11 3.137,12 3.574,13 0.234,14 0.012,15 8.462,16 3.215,17 3.129,18 305,19 3.344,20 333.33,21 4.559,22 3.228,23 647,24 6.933,25 12.724,26 17.811,27 87.065,28 16.38,29 3.211,30 184.117,31 282.57,32 14809,33 2.576,34 400.707,35 0.518,37 5.4,38 24.829,39 10.629,40 3.033,41 3.32,42 2.471,43 12.046,44 42.134,45 1.618,46 29365,47 109,48 7.122,49 3.803,50 1113.84,51 13993.7,52 123.171,53 24.783,54 3.893,55 162.491,56 388.239,57 3.284,58 2.764,60 924,61 3.477,62 3.886,63 1.666,64 1.553,65 3.948,66 0.582,67 1.039,68 0.538,69 0.582,70 6.3}
{0 CHEMBL565612,1 3.206,2 1.442,3 3.334,4 1,5 10.576,6 3.458,7 4.106,8 4.378,9 2.795,10 7.802,11 4.249,12 3.74,13 0.477,14 0.01,15 32.545,16 4.313,17 4.168,18 349,19 4.284,20 438.53,21 4.752,22 4.273,23 788,24 6.158,25 18.13,26 22.526,27 126.137,28 20.101,29 11.952,30 279.22,31 375.2,32 20877,33 2.874,34 495.061,35 0.511,37 6.118,38 28.511,39 13.373,40 3.27,41 3.706,42 2.914,43 16.097,44 42.801,45 1.667,46 35642,47 147,48 10.97,49 10.957,50 1825.73,51 25500.1,52 169.754,53 29.718,54 3.323,55 219.848,56 528.189,57 3.707,58 3.182,59 7.627,60 1876,61 3.63,62 5.035,63 1.969,64 1.758,65 4.253,66 1.324,67 1.898,68 1.314,69 1.324,70 6.8}
{0 CHEMBL572878,1 2.949,2 1.967,3 3.619,5 12.697,6 3.837,7 4.1,8 4.211,9 3.068,10 9.816,11 4.188,12 3.827,13 0.315,14 0.007,15 32.442,16 4.188,17 4.061,18 419,19 4.185,20 464.66,21 6.649,22 4.069,23 927,24 7.753,25 19.653,26 23.139,27 134.268,28 22.356,29 11.143,30 314.265,31 403.5,32 24682,33 3.006,34 567.826,35 0.402,37 5.766,38 40.854,39 10.683,40 3.346,41 3.713,42 2.93,43 16.421,44 47.709,45 2.266,46 40945,47 162,48 12.037,49 10.82,50 2025.97,51 31258.6,52 176.508,53 31.013,54 6.121,55 237.562,56 571.412,57 3.746,58 3.162,59 7.63,60 2224,61 3.755,62 4.879,63 1.81,64 1.662,65 4.231,66 1.296,67 1.529,68 1.194,69 1.296,70 5.46}
{0 CHEMBL572881,2 1.893,3 3.504,5 11.607,6 3.68,7 3.688,8 3.735,9 2.968,10 7.608,11 3.821,12 3.779,13 0.302,14 0.01,15 21.817,16 3.836,17 3.736,18 325,19 3.767,20 373.5,21 5.014,22 3.782,23 711,24 6.9,25 15.99,26 19.562,27 112.492,28 18.454,29 7.857,30 257.029,31 344.41,32 15428,33 2.687,34 485.611,35 0.475,37 5.705,38 26.827,39 11.011,40 3.116,41 3.56,42 2.735,43 13.527,44 42.516,45 1.483,46 24984,47 114,48 9.304,49 6.735,50 1391.12,51 18665.1,52 141.664,53 26.964,54 4.026,55 200.922,56 482.01,57 3.584,58 2.802,59 7.018,60 1276,61 3.734,62 4.591,63 1.914,64 1.804,65 4.071,66 1,67 1.492,68 0.983,69 1,70 5.119}
{0 CHEMBL573339,2 1.047,3 3.032,5 8.038,6 3.169,7 3.658,8 3.948,9 2.286,10 6.236,11 3.843,12 3.671,13 0.228,14 0.008,15 21.923,16 3.933,17 3.738,18 209,19 3.86,20 348.39,21 3.731,22 3.88,23 471,24 5.249,25 13.922,26 17.51,27 93.122,28 15.558,29 8.885,30 206.477,31 278.47,32 11755,33 2.804,34 394.341,35 0.613,37 5.7,38 19.935,39 12.103,40 2.866,41 3.451,42 2.714,43 12.793,44 33.517,45 1.389,46 20994,47 75,48 8.468,49 7.482,50 1029.87,51 12408.6,52 123.326,53 24.334,54 2.713,55 168.877,56 403.821,57 3.427,58 2.762,59 7.066,60 888,61 3.567,62 4.659,63 1.917,64 1.749,65 4.024,66 1,67 1.243,68 0.946,69 1,70 5}
{0 CHEMBL574738,2 2.729,3 4.02,5 17.421,6 4.231,7 4.019,8 4.205,9 3.527,10 12.549,11 4.011,12 3.758,13 0.608,14 0.015,15 36.067,16 4.121,17 3.971,18 662,19 4.255,20 529.63,21 9.182,22 4.093,23 1412,24 9.769,25 21.178,26 24.623,27 141.564,28 27.804,29 10.065,30 352.928,31 462.61,32 43069,33 3.114,34 643.287,35 0.369,37 6.218,38 55.679,39 11.314,40 3.304,41 3.782,42 2.978,43 17.017,44 68.063,45 2.206,46 77109,47 226,48 12.238,49 11.753,50 2974.12,51 53167,52 216.585,53 35.406,54 7.892,55 260.471,56 627.309,57 3.768,58 3.299,60 3096,61 3.636,62 4.978,63 1.959,64 1.768,65 4.36,66 1.211,67 1.754,68 1.103,69 1.211,70 6.8}
{0 CHEMBL576113,2 1.219,3 3.041,5 8.158,6 3.189,7 2.949,8 2.974,9 2.439,10 6.664,11 3.381,12 3.391,13 0.169,14 0.012,15 14.261,16 3.352,17 3.213,18 155,19 2.983,20 258.4,21 4.912,22 3.197,23 318,24 5.138,25 11.687,26 13.665,27 81.911,28 14.003,29 5.636,30 182.15,31 256.43,32 4691,33 2.495,34 390.074,35 0.808,37 4.986,38 13.645,39 8.575,40 2.921,41 3.225,42 2.454,43 9.258,44 33.738,45 0.578,46 6357,47 56,48 6.928,49 5.475,50 545.239,51 5484.58,52 82.972,53 19.087,54 3.322,55 152.409,56 363.638,57 3.281,58 2.218,60 445,61 3.392,62 4.144,63 1.725,64 1.498,65 3.67,66 -0.517,67 -0.625,68 -0.504,69 -0.517,70 5.3}
{0 CHEMBL576620,2 1.296,3 3.132,5 9.08,6 3.279,7 3.42,8 3.86,9 2.649,10 7.557,11 3.569,12 3.674,13 0.217,14 0.01,15 16.594,16 3.827,17 3.469,18 227,19 3.685,20 331.37,21 5.023,22 3.741,23 476,24 5.482,25 13.277,26 16.778,27 93.9,28 16.618,29 7.197,30 186.131,31 300.96,32 11399,33 2.687,34 420.943,35 0.765,37 5.657,38 22.595,39 10.108,40 2.935,41 3.377,42 2.735,43 11.847,44 41.276,45 1.222,46 20733,47 104,48 7.597,49 7.482,50 983.758,51 11725.5,52 118.362,53 23.83,54 3.492,55 170.886,56 408.721,57 3.377,58 2.519,59 7.05,60 972,61 3.604,62 4.378,63 1.823,64 1.66,65 3.951,66 0.675,67 0.941,68 0.624,69 0.675,70 5.377}
{0 CHEMBL576982,2 3.503,3 4.161,5 19.05,6 4.401,7 4.128,8 4.138,9 3.659,10 11.488,11 4.199,12 3.852,13 0.428,14 0.01,15 32.686,16 4.191,17 4.11,18 762,19 4.166,20 560.74,21 7.814,22 4.113,23 1683,24 10.929,25 23.585,26 28.045,27 154.689,28 27.208,29 11.102,30 373.441,31 472.23,32 50293,33 3.213,34 678.416,35 0.263,37 6.038,38 71.7,39 14.149,40 3.462,41 3.899,42 3.078,43 19.722,44 57.905,45 2.175,46 86492,47 262,48 14.136,49 10.999,50 3433.1,51 65900.8,52 233.874,53 37.309,54 6.358,55 280.268,56 675.615,57 3.919,58 3.411,59 7.941,60 3720,61 3.774,62 4.957,63 1.982,64 1.78,65 4.43,66 1.545,67 1.812,68 1.354,69 1.545,70 5.602}
{0 CHEMBL583144,2 0.766,3 2.471,5 5.125,6 2.502,7 0.021,8 3.244,9 1.546,10 3.602,11 0.361,12 3.656,15 3.274,16 1.59,17 0.189,18 82,19 0.92,20 271.13,21 2.331,22 1.325,23 177,24 3.483,25 10.08,26 12.638,27 65.057,28 10.355,29 0.711,30 84.439,31 186.56,32 3780,33 2.036,34 251.54,35 1.128,37 1.386,38 7.406,39 9.151,40 2.81,41 2.96,42 1.502,43 8.667,44 21.537,45 0.624,46 7891,47 25,48 5.994,49 1.675,50 300.216,51 2547.76,52 61.433,53 15.332,54 1.455,55 112.331,56 265.847,57 3.001,58 2.232,59 7.096,60 196,61 3.054,62 1.298,63 1.079,64 1.019,65 3.526,66 -1,67 -1.208,68 -0.74,69 -1,70 6.095}
{0 CHEMBL583187,2 1.755,3 3.459,5 11.286,6 3.584,7 3.794,8 3.97,9 2.924,10 6.959,11 3.812,12 3.759,13 0.32,14 0.011,15 23.312,16 3.893,17 3.694,18 316,19 3.901,20 393.5,21 4.424,22 3.799,23 706,24 6.43,25 15.869,26 19.604,27 109.308,28 17.801,29 8.693,30 242.311,31 331.48,32 15924,33 2.76,34 464.071,35 0.481,37 5.678,38 27.643,39 11.741,40 3.016,41 3.573,42 2.735,43 13.972,44 37.64,45 1.616,46 28445,47 117,48 10.036,49 8.644,50 1354.81,51 17452.8,52 139.667,53 26.58,54 3.358,55 192.399,56 461.213,57 3.603,58 3.122,59 7.526,60 1232,61 3.683,62 4.438,63 1.819,64 1.698,65 4.086,66 1,67 1.5,68 1,69 1,70 6}
{0 CHEMBL592030,1 3.181,2 1.496,3 3.394,4 1,5 10.781,6 3.53,7 4.104,8 4.235,9 2.843,10 7.783,11 4.185,12 3.967,13 0.361,14 0.008,15 28.147,16 4.262,17 4.08,18 345,19 4.243,20 439.59,21 4.757,22 4.176,23 781,24 6.391,25 18.063,26 22.01,27 131.245,28 19.56,29 10.611,30 291.58,31 348.03,32 20372,33 2.926,34 479.566,35 0.474,37 5.865,38 29.563,39 14.709,40 3.351,41 3.701,42 2.851,43 16.116,44 41.084,45 1.537,46 35174,47 141,48 11.306,49 10.694,50 1750.96,51 24386.6,52 164.518,53 29.233,54 3.336,55 220.188,56 529.02,57 3.734,58 3.226,59 7.947,60 1712,61 3.862,62 4.881,63 1.955,64 1.82,65 4.227,66 1.318,67 1.848,68 1.261,69 1.318,70 5.5}
{0 CHEMBL601719,2 1.916,3 3.52,5 11.767,6 3.698,7 3.976,8 4.013,9 2.94,10 9.103,11 3.926,12 3.763,13 0.396,14 0.012,15 30.777,16 3.992,17 3.828,18 353,19 4.129,20 450.38,21 6.487,22 3.904,23 762,24 7.009,25 17.92,26 21.38,27 118.112,28 21.378,29 9.101,30 269.668,31 368.88,32 20405,33 2.927,34 520.968,35 0.491,37 5.886,38 28.804,39 10.871,40 3.258,41 3.597,42 2.811,43 14.602,44 47.079,45 1.627,46 37175,47 128,48 10.501,49 9.058,50 1608.53,51 22407.8,52 154.477,53 28.367,54 4.597,55 215.049,56 516.478,57 3.612,58 2.845,59 6.605,60 1486,61 3.681,62 4.731,63 1.903,64 1.815,65 4.132,66 1,67 1.145,68 0.983,69 1,70 5}
{0 CHEMBL607707,2 1.785,3 3.544,5 12.182,6 3.722,7 4.226,8 4.252,9 3.052,10 11.111,11 4.09,12 3.676,13 0.587,14 0.013,15 32.228,16 4.194,17 4.042,18 402,19 4.283,20 467.97,21 8.24,22 4.149,23 829,24 7.18,25 19.203,26 23.587,27 127.416,28 24.473,29 10.268,30 298.947,31 416.16,32 25112,33 3.019,34 587.479,35 0.624,37 6.218,38 38.123,39 11.426,40 3.326,41 3.648,42 2.884,43 15.694,44 63.824,45 2.115,46 45041,47 165,48 10.538,49 10.426,50 1965.4,51 29265.6,52 174.212,53 30.485,54 6.206,55 235.173,56 565.581,57 3.654,58 3.088,60 2119,61 3.595,62 4.882,63 1.903,64 1.702,65 4.212,66 1.024,67 1.356,68 0.996,69 1.024,70 6.481}
{0 CHEMBL608154,1 3.288,2 1.157,3 3.101,4 1,5 8.731,6 3.241,7 3.766,8 4.015,9 2.459,10 6.595,11 3.745,12 3.806,13 0.334,14 0.012,15 16.736,16 3.776,17 3.67,18 227,19 3.916,20 366.83,21 4.267,22 3.739,23 496,24 5.391,25 14.886,26 18.759,27 98.273,28 16.824,29 6.487,30 208.15,31 294.61,32 12194,33 2.875,34 413.023,35 0.661,37 5.642,38 19.509,39 11.911,40 3.078,41 3.438,42 2.713,43 12.885,44 37.718,45 1.511,46 22170,47 84,48 8.325,49 6.735,50 1053.27,51 12656.3,52 123.913,53 24.403,54 2.828,55 177.68,56 425.299,57 3.435,58 2.856,59 7.066,60 1004,61 3.584,62 4.424,63 1.886,64 1.811,65 4.001,66 0.791,67 0.965,68 0.659,69 0.791,70 5}
{0 CHEMBL7064,1 3.03,2 0.844,3 2.542,5 5.647,6 2.533,7 0.316,8 2.312,9 1.904,10 2.904,11 1.178,12 3.352,15 2.801,16 2.098,17 0.876,18 96,19 1.401,20 220.24,21 1.513,22 1.863,23 221,24 3.484,25 8.897,26 11.405,27 65.355,28 8.854,29 1.051,30 104.587,31 178.29,32 3482,33 2.221,34 229.366,35 0.999,37 2.639,38 7.031,39 10.62,40 2.462,41 3.084,42 1.98,43 8.36,44 20.756,45 0.691,46 5931,47 24,48 5.473,49 1.869,50 344.505,51 2970.14,52 66.442,53 16.144,54 0.992,55 109.655,56 259.319,57 3.091,58 2.331,59 6.88,60 178,61 3.207,62 2.219,63 1.461,64 1.328,65 3.615,66 -0.621,67 -0.921,68 -0.626,69 -0.621,70 6.5}
{0 CHEMBL91829,2 0.993,3 3.221,4 2,5 9.743,6 3.324,7 4.318,8 4.625,9 2.119,10 8.795,11 4.565,12 3.745,13 0.611,14 0.011,15 51.171,16 4.705,17 4.453,18 341,19 4.566,20 468.6,21 5.602,22 4.625,23 765,24 5.908,25 19.953,26 24.104,27 135.851,28 22.293,29 18.086,30 313.059,31 416.53,32 22158,33 3.068,34 559.77,35 0.538,37 6.422,38 24.898,39 13.864,40 3.361,41 3.796,42 3.075,43 17.008,44 46.46,45 2.037,46 36566,47 119,48 12.038,49 19.81,50 1977.84,51 28638.5,52 181.497,53 30.705,54 3.823,55 241.96,56 582.143,57 3.811,58 3.058,59 8.138,60 1438,61 3.632,62 5.405,63 1.959,64 1.787,65 4.308,66 1.331,67 1.913,68 1.323,69 1.331,70 5}
{0 CHEMBL939,2 2.067,3 3.648,5 12.935,6 3.818,7 4.007,8 4.024,9 3.112,10 10.42,11 3.938,12 3.697,13 0.32,14 0.009,15 28.621,16 4,17 3.875,18 401,19 4.035,20 446.95,21 7.404,22 3.93,23 866,24 7.531,25 17.992,26 21.261,27 117.539,28 22.028,29 8.847,30 287.22,31 377.55,32 23153,33 2.963,34 534.972,35 0.46,37 5.802,38 36.081,39 11.2,40 3.276,41 3.614,42 2.882,43 15.013,44 49.422,45 1.897,46 42102,47 152,48 10.493,49 9.526,50 1775.43,51 25978.8,52 162.713,53 29.48,54 5.547,55 217.506,56 522.475,57 3.608,58 2.867,60 1793,61 3.61,62 4.743,63 1.923,64 1.754,65 4.172,66 1.174,67 1.3,68 1.067,69 1.174,70 6}
{0 CHEMBL941,2 2.71,3 4.006,5 16.73,6 4.179,7 3.986,8 4.111,9 3.506,10 11.508,11 4.166,12 3.833,13 0.358,14 0.008,15 29.721,16 4.248,17 4.067,18 619,19 4.026,20 493.67,21 7.739,22 4.136,23 1361,24 9.44,25 21.185,26 25.614,27 146.651,28 24.883,29 10.944,30 358.928,31 456.33,32 35900,33 2.962,34 636.405,35 0.329,37 5.937,38 52.079,39 12.824,40 3.335,41 3.826,42 2.941,43 18.03,44 57.104,45 1.869,46 58418,47 228,48 12.457,49 12.405,50 2783.16,51 48375,52 208.703,53 34.613,54 6.507,55 265.482,56 639.535,57 3.85,58 3.267,60 2915,61 3.814,62 4.9,63 1.979,64 1.877,65 4.35,66 1.265,67 1.806,68 1.276,69 1.265,70 5.15}
{0 CHEMBL95692,2 1.26,3 3.095,5 8.615,6 3.238,7 3.672,8 3.989,9 2.505,10 7.424,11 3.883,12 3.707,13 0.229,14 0.008,15 29.102,16 4.014,17 3.766,18 224,19 3.89,20 353.44,21 4.85,22 3.929,23 486,24 5.429,25 14.522,26 17.062,27 96.762,28 16.984,29 9.551,30 221.329,31 303.86,32 11745,33 2.687,34 430.051,35 0.667,37 5.817,38 21.166,39 10.218,40 2.909,41 3.454,42 2.735,43 12.365,44 37.568,45 1.077,46 20321,47 97,48 8.669,49 9.486,50 1052.23,51 12822.4,52 124.12,53 24.488,54 3.454,55 179.198,56 429.003,57 3.452,58 2.718,59 6.862,60 1120,61 3.618,62 4.823,63 1.83,64 1.728,65 4.005,66 0.934,67 1.084,68 0.874,69 0.934,70 6.1}