@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2742

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1084546,CHEMBL1085511,CHEMBL1090356,CHEMBL116070,CHEMBL1164265,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375640,CHEMBL1381197,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL1614705,CHEMBL1614725,CHEMBL162,CHEMBL1624529,CHEMBL1651521,CHEMBL16699,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1684800,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL1774056,CHEMBL1784637,CHEMBL1784725,CHEMBL1789941,CHEMBL180022,CHEMBL1822792,CHEMBL1825138,CHEMBL1834657,CHEMBL1835870,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL189584,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1945559,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966069,CHEMBL1966279,CHEMBL1966343,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1966842,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968070,CHEMBL1968127,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969156,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969483,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970522,CHEMBL1970709,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971943,CHEMBL1971947,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972221,CHEMBL1972250,CHEMBL1972362,CHEMBL1972365,CHEMBL1972489,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973540,CHEMBL1973711,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974870,CHEMBL1974935,CHEMBL1975128,CHEMBL1975138,CHEMBL1975233,CHEMBL1975256,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976328,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976872,CHEMBL1977041,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977619,CHEMBL1977681,CHEMBL1978014,CHEMBL1978099,CHEMBL1978200,CHEMBL1978267,CHEMBL1978448,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979855,CHEMBL1979883,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980297,CHEMBL1980391,CHEMBL1980489,CHEMBL1980540,CHEMBL1980704,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983268,CHEMBL1983449,CHEMBL1983534,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984842,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985311,CHEMBL1985406,CHEMBL1985566,CHEMBL1985580,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986781,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987359,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987910,CHEMBL1988075,CHEMBL1988076,CHEMBL1988153,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1989029,CHEMBL1989423,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989834,CHEMBL1989856,CHEMBL1990254,CHEMBL1990288,CHEMBL1990346,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,CHEMBL1992242,CHEMBL1992323,CHEMBL1992342,CHEMBL1992536,CHEMBL1992634,CHEMBL1992644,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993243,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994526,CHEMBL1994538,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995592,CHEMBL1995740,CHEMBL1995813,CHEMBL1995832,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996234,CHEMBL1996390,CHEMBL1996500,CHEMBL1996587,CHEMBL1996780,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996837,CHEMBL1996931,CHEMBL1996979,CHEMBL1997023,CHEMBL1997051,CHEMBL1997129,CHEMBL1997340,CHEMBL1997534,CHEMBL1997597,CHEMBL1997617,CHEMBL1997623,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1997909,CHEMBL1997924,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998545,CHEMBL1998585,CHEMBL1998611,CHEMBL1998829,CHEMBL1999112,CHEMBL1999321,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000078,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001224,CHEMBL2001228,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001485,CHEMBL2001539,CHEMBL2001547,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001998,CHEMBL2002165,CHEMBL2002322,CHEMBL2002323,CHEMBL2002346,CHEMBL2002373,CHEMBL2002407,CHEMBL2002446,CHEMBL2002479,CHEMBL2002649,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003817,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005186,CHEMBL2005375,CHEMBL2005475,CHEMBL2005482,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006493,CHEMBL2006567,CHEMBL2006581,CHEMBL2006778,CHEMBL2006785,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007151,CHEMBL2007296,CHEMBL2007592,CHEMBL2010872,CHEMBL2012519,CHEMBL2048912,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL2148053,CHEMBL215152,CHEMBL215803,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL2204532,CHEMBL2205426,CHEMBL2206666,CHEMBL2216830,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2333365,CHEMBL233338,CHEMBL234085,CHEMBL2347053,CHEMBL2348417,CHEMBL243088,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL26559,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL289959,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL363648,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL38380,CHEMBL384304,CHEMBL385478,CHEMBL386051,CHEMBL387971,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL410659,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL437747,CHEMBL440084,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451401,CHEMBL451964,CHEMBL458997,CHEMBL459850,CHEMBL461876,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL485556,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL495727,CHEMBL497151,CHEMBL502835,CHEMBL504075,CHEMBL504950,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL514499,CHEMBL516640,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL539474,CHEMBL55137,CHEMBL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@attribute Chi0_EA.dm. numeric
@attribute Chi1_EA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig08_AEA.dm. numeric
@attribute X0sol numeric
@attribute Eig09_EA numeric
@attribute SM03_AEA.dm. numeric
@attribute ZM2Mad numeric
@attribute Eig09_EA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute ZM1Mad numeric
@attribute Eig08_EA.ri. numeric
@attribute AMR numeric
@attribute X1v numeric
@attribute SpMax7_Bh.i. numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_EA numeric
@attribute SM15_AEA.bo. numeric
@attribute X3v numeric
@attribute IAC numeric
@attribute TIC0 numeric
@attribute SpMax8_Bh.m. numeric
@attribute Eig07_EA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute ATSC5p numeric
@attribute Eig09_AEA.bo. numeric
@attribute VvdwMG numeric
@attribute Vx numeric
@attribute ATSC5m numeric
@attribute SpMax7_Bh.m. numeric
@attribute X5sol numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute CATS2D_06_DL numeric
@attribute X0v numeric
@attribute SpMax7_Bh.e. numeric
@attribute Eig07_AEA.ri. numeric
@attribute ATS3m numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin8_Bh.v. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Sp numeric
@attribute SpMax7_Bh.p. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eta_F numeric
@attribute SpMax8_Bh.v. numeric
@attribute Eig10_AEA.dm. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SMTIV numeric
@attribute SpMax7_Bh.v. numeric
@attribute Eig05_EA.ri. numeric
@attribute MDDD numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute Eta_FL numeric
@attribute ATS1p numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpMax1_Bh.p. numeric
@attribute VAR numeric
@attribute S1K numeric
@attribute X3 numeric
@attribute SM02_AEA.bo. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute X0 numeric
@attribute pXC50 numeric

@data
{1 4.368,2 2.498,3 3.711,4 2,5 1.488,6 18.221,7 1,8 1,9 204.305,10 2.575,11 2.575,12 180.557,13 1.139,14 105.742,15 9.876,16 2.925,17 2.177,18 2.997,19 1.527,20 1.527,21 5.186,22 72.336,23 72.336,24 2.687,25 3.75,26 3.75,27 7.981,28 2.5,29 187.143,30 448.389,31 19.997,32 2.687,33 6.866,34 2.854,35 2.925,37 15.334,38 2.854,39 2.455,40 3.994,41 1.181,42 1.107,43 4.272,44 1.403,45 31.387,46 2.735,47 3.456,48 29.792,49 2.715,50 1,51 1.107,52 14750,53 2.715,54 2.091,55 25.295,56 0.886,57 2.735,58 0.218,59 8.054,60 3.557,61 46.538,62 4.01,63 102,64 17.477,65 10.047,66 4.989,67 2.727,68 0.301,69 18.803,70 5}
{0 CHEMBL101253,1 18.364,2 28.435,3 3.562,4 2,5 1.288,6 17.562,7 1.013,8 1.013,9 171.363,10 2.575,11 2.575,12 154.458,13 1.26,14 100.976,15 8.33,16 2.925,17 2.053,18 2.887,19 1.44,20 1.44,21 4.244,22 59.835,23 59.835,24 2.687,25 3.102,26 3.102,27 6.324,28 2.5,29 176.352,30 422.06,31 17.499,32 2.709,33 6.967,34 2.854,35 2.925,36 1,37 14.111,38 2.854,39 2.382,40 3.901,41 1.181,42 1.066,43 3.792,44 1.355,45 29.449,46 2.735,47 3.414,48 25.535,49 2.715,50 1,51 1.107,52 12027,53 2.715,54 1.851,55 23.142,56 0.886,57 2.735,58 0.218,59 7.668,60 3.464,61 41.88,62 4.02,63 97,64 15.707,65 9.126,66 4.896,67 2.777,68 -0.429,69 17.062,70 5}
{0 CHEMBL103667,1 36.989,2 47.755,3 4.668,4 2.794,5 2.177,6 27.407,7 1.8,8 1.8,9 263.768,10 4.897,11 4.897,12 227.848,13 1.887,14 153.448,15 13.481,16 3.478,17 2.652,18 3.493,19 2.149,20 2.149,21 6.899,22 112.148,23 112.148,24 3.166,25 6.04,26 6.04,27 14.355,28 3.228,29 284.925,30 686.977,31 46.823,32 3.321,33 9.739,34 3.289,35 3.343,36 6,37 23.16,38 3.427,39 3.117,40 4.344,41 1.598,42 1.472,43 5.051,44 2.068,45 49.574,46 3.194,47 4.433,48 40.967,49 3.081,50 2.025,51 1.584,52 36729,53 3.213,54 2.325,55 51.546,56 1.353,57 3.059,58 0.72,59 9.39,60 3.926,61 65.558,62 4.047,63 229,64 27.35,65 13.957,66 5.281,67 3.333,68 1.078,69 27.407,70 5}
{0 CHEMBL105442,1 16.843,2 19.271,3 3.475,4 2.022,5 1.985,6 18.234,7 1.065,8 1.065,9 229.623,10 2.393,11 2.393,12 310.958,13 1.226,14 99.228,15 9.033,16 2.922,17 1.964,18 2.872,19 1.519,20 1.519,21 4.406,22 77.341,23 77.341,24 2.872,25 3.779,26 3.779,27 6.22,28 2.241,29 181.063,30 433.555,31 12.827,32 2.945,33 5.349,34 2.794,35 2.844,36 1,37 15.827,38 2.879,39 2.474,40 4.354,41 1.093,42 0.973,43 4.209,44 1.423,45 29.404,46 2.768,47 3.246,48 21.203,49 2.678,50 1.153,51 1.059,52 13255,53 2.735,54 1.771,55 22.128,56 0.868,57 2.716,58 0.17,59 5.645,60 3.435,61 41.981,62 4.034,63 98,64 18.668,65 8.673,66 4.804,67 2.82,68 -0.151,69 17.974,70 5}
{0 CHEMBL1082440,1 17.457,2 25.392,3 3.459,4 1.935,5 1.275,6 15.992,7 0.97,8 0.97,9 203.207,10 2.293,11 2.293,12 167.718,13 1.218,14 87.781,15 9.015,16 3.142,17 1.589,18 2.589,19 1.321,20 1.321,21 6.241,22 70.336,23 70.336,24 2.509,25 3.165,26 3.165,27 12.051,28 2.361,29 166.937,30 399.086,31 40.448,32 2.881,33 6.783,34 2.733,35 2.852,36 2,37 13.728,38 3.055,39 2.252,40 4.135,41 1.172,42 1.044,43 3.827,44 1.241,45 28.426,46 2.799,47 3,48 19.584,49 2.492,50 0.373,51 1.329,52 6560,53 2.788,54 1.662,55 12.818,56 1.007,57 2.516,58 0.399,59 4.942,60 3.427,61 38.106,62 4.154,63 50,64 15.417,65 8.263,66 4.743,67 2.49,68 -0.963,69 15.742,70 5.7}
{0 CHEMBL1084546,1 36.58,2 61.621,3 4.734,4 2.592,5 2.162,6 23.13,7 1.652,8 1.652,9 292.737,10 4.807,11 4.807,12 260.761,13 1.712,14 125.221,15 12.021,16 3.297,17 2.514,18 3.338,19 1.998,20 1.998,21 6.358,22 110.136,23 110.136,24 2.97,25 5.777,26 5.777,27 10.813,28 2.987,29 227.636,30 547.193,31 33.221,32 3.118,33 7.978,34 3.159,35 3.26,36 3,37 19.328,38 3.231,39 2.956,40 4.333,41 1.467,42 1.364,43 4.956,44 1.895,45 36.955,46 2.934,47 4.406,48 44.312,49 2.903,50 1.792,51 1.476,52 33557,53 2.994,54 2.401,55 36.485,56 1.158,57 2.92,58 0.574,59 9.603,60 3.651,61 59.703,62 3.979,63 171,64 24.864,65 12.413,66 5.218,67 3.181,68 0.755,69 25.38,70 6.2}
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{0 CHEMBL1336,1 27.261,2 35.352,3 4.063,4 2.351,5 2.246,6 21.303,7 1.412,8 1.412,9 223.738,10 3.427,11 3.427,12 212.555,13 1.597,14 110.459,15 9.441,16 3.05,17 2.613,18 3.361,19 2.011,20 2.011,21 4.398,22 94.33,23 94.33,24 2.861,25 5.825,26 5.825,27 7.271,28 2.847,29 208.921,30 501.528,31 18.246,32 3.172,33 6.322,34 2.947,35 2.997,37 17.213,38 3.003,39 2.936,40 4.212,41 1.196,42 1.107,43 4.965,44 1.806,45 33.148,46 2.805,47 4.032,48 38.162,49 2.774,50 1.433,51 1.194,52 31467,53 2.81,54 2.229,55 37.637,56 0.961,57 2.786,58 0.238,59 9.153,60 3.517,61 52.202,62 3.891,63 152,64 23.544,65 10.793,66 5.072,67 3.175,68 0.704,69 23.303,70 5.303}
{0 CHEMBL1375640,1 13.497,2 14.329,3 3.467,4 1.713,5 1.261,6 16.38,7 0.873,8 0.873,9 179.224,10 2.358,11 2.358,12 166.263,13 1.14,14 89.112,15 7.752,16 2.921,17 1.972,18 2.841,19 1.414,20 1.414,21 4.401,22 64.816,23 64.816,24 2.637,25 2.983,26 2.983,27 5.906,28 2.336,29 159.693,30 381.412,31 17.508,32 2.867,33 5.806,34 2.735,35 2.798,36 1,37 13.357,38 2.877,39 2.338,40 3.958,41 0.955,42 0.973,43 3.868,44 1.228,45 25.79,46 2.738,47 3.16,48 19.411,49 2.575,50 0.84,51 1.029,52 9323,53 2.725,54 1.617,55 17.545,56 0.855,57 2.596,58 0.068,59 6.147,60 3.314,61 37.014,62 3.939,63 64,64 15.192,65 7.859,66 4.721,67 2.683,68 -0.722,69 15.527,70 5.7}
{0 CHEMBL1381197,1 11.313,2 16.489,3 3.414,4 2,5 1.168,6 16.855,7 1,8 1,9 171.915,10 2.275,11 2.275,12 153.649,13 1.059,14 98.209,15 7.935,16 2.925,17 1.97,18 2.82,19 1.34,20 1.34,21 3.934,22 59.45,23 59.45,24 2.687,25 3.367,26 3.367,27 5.149,28 2.5,29 166.889,30 398.97,31 15.282,32 2.687,33 6.472,34 2.85,35 2.909,36 3,37 13.481,38 2.854,39 2.322,40 3.851,41 1.181,42 1.062,43 4.042,44 1.314,45 27.693,46 2.735,47 3.293,48 23.622,49 2.715,50 1,51 1.107,52 11440,53 2.715,54 1.771,55 21.382,56 0.886,57 2.708,58 0.218,59 7.284,60 3.387,61 40.832,62 3.945,63 94,64 14.973,65 8.951,66 4.864,67 2.576,68 -0.635,69 16.355,70 5.7}
{0 CHEMBL1421,1 32.957,2 53.106,3 4.254,4 2.451,5 2.119,6 24.225,7 1.484,8 1.484,9 253.281,10 3.876,11 3.876,12 232.562,13 1.638,14 130.334,15 11.853,16 3.256,17 2.478,18 3.232,19 1.879,20 1.879,21 6.588,22 105.106,23 105.106,24 2.993,25 5.178,26 5.178,27 13.007,28 2.898,29 240.898,30 579.551,31 45.193,32 3.233,33 8.334,34 3.148,35 3.223,37 20.08,38 3.176,39 2.799,40 4.314,41 1.513,42 1.429,43 4.841,44 1.722,45 40.068,46 3.035,47 4.184,48 31.424,49 2.958,50 1.578,51 1.459,52 27529,53 3.014,54 2.131,55 39.278,56 1.204,57 2.957,58 0.605,59 8.116,60 3.71,61 55.262,62 3.912,63 182,64 23.984,65 11.81,66 5.083,67 3.232,68 0.727,69 23.372,70 5.205}
{0 CHEMBL14762,1 24.833,2 38.665,3 3.61,4 2,5 1.191,6 18.518,7 1,8 1,9 169.15,10 2.389,11 2.389,12 146.123,13 1.027,14 106.143,15 9.017,16 3.211,17 2.069,18 2.908,19 1.49,20 1.49,21 4.327,22 77.991,23 77.991,24 2.717,25 3.199,26 3.199,27 6.812,28 2.5,29 195.115,30 467.841,31 30.377,32 2.94,33 5.813,34 2.874,35 3.009,36 6,37 15.476,38 3.138,39 2.48,40 3.912,41 1.417,42 1.308,43 3.925,44 1.474,45 33.103,46 2.871,47 3.247,48 23.064,49 2.715,50 1.003,51 1.412,52 11124,53 2.882,54 1.874,55 24.935,56 1.151,57 2.735,58 0.469,59 6.142,60 3.496,61 42.947,62 3.925,63 96,64 18.617,65 9.128,66 4.828,67 2.568,68 -0.299,69 18.518,70 5}
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{0 CHEMBL1614705,1 16.683,2 16.542,3 3.923,4 2.263,5 1.641,6 20.01,7 1.302,8 1.302,9 210.98,10 3.125,11 3.125,12 186.024,13 1.376,14 107.681,15 9.647,16 3.012,17 2.095,18 2.924,19 1.577,20 1.577,21 5.445,22 87.319,23 87.319,24 2.8,25 4.209,26 4.209,27 10.036,28 2.653,29 198.192,30 475.349,31 29.916,32 2.866,33 7.325,34 2.898,35 2.957,36 1,37 16.233,38 2.953,39 2.525,40 4.158,41 1.278,42 1.101,43 4.508,44 1.463,45 32.824,46 2.808,47 3.83,48 28.563,49 2.733,50 1.403,51 1.364,52 17925,53 2.803,54 2.03,55 28.145,56 1.153,57 2.733,58 0.374,59 7.265,60 3.537,61 50.33,62 3.976,63 131,64 19.807,65 10.935,66 4.992,67 2.853,68 0.41,69 20.38,70 5.7}
{0 CHEMBL1614725,1 31.697,2 44.351,3 4.904,4 2.833,5 2.175,6 25.501,7 1.881,8 1.881,9 273.078,10 5.667,11 5.667,12 253.468,13 1.874,14 137.036,15 11.974,16 3.36,17 2.771,18 3.504,19 2.212,20 2.212,21 5.697,22 117.141,23 117.141,24 3.217,25 6.051,26 6.051,27 10.573,28 3.312,29 256.284,30 617.093,31 35.204,32 3.339,33 7.913,34 3.148,35 3.206,37 21.268,38 3.312,39 3.183,40 4.394,41 1.417,42 1.337,43 5.135,44 2.071,45 42.199,46 3.018,47 4.511,48 43.093,49 2.95,50 1.955,51 1.361,52 44781,53 3.073,54 2.271,55 54.751,56 1.11,57 2.936,58 0.531,59 9.543,60 3.759,61 62.903,62 3.981,63 197,64 27.868,65 12.659,66 5.26,67 3.4,68 0.893,69 27.501,70 5}
{0 CHEMBL162,1 28.268,2 43.083,3 5.264,4 2.736,5 2.327,6 23.637,7 1.766,8 1.766,9 312.869,10 5.664,11 5.664,12 239.789,13 2.039,14 131.874,15 12.253,16 3.347,17 2.862,18 3.521,19 2.236,20 2.236,21 8.596,22 92.203,23 92.203,24 3.042,25 7.654,26 7.654,27 19.901,28 3.126,29 230.101,30 553.206,31 52.426,32 3.134,33 14.487,34 3.221,35 3.293,36 10,37 19.884,38 3.27,39 3.181,40 4.61,41 1.577,42 1.517,43 5.844,44 2.107,45 41.762,46 3.066,47 4.97,48 38.554,49 2.985,50 1.901,51 1.553,52 19467,53 3.067,54 2.39,55 25.211,56 1.293,57 2.985,58 0.67,59 8.525,60 3.832,61 71.374,62 4.286,63 104,64 20.312,65 15.926,66 5.357,67 3.408,68 1.149,69 23.637,70 7.745}
{0 CHEMBL1624529,1 29.209,2 44.125,3 4.442,4 2.436,5 2.445,6 18.706,7 1.479,8 1.479,9 243.657,10 3.973,11 3.973,12 200.378,13 1.698,14 101.04,15 9.211,16 2.985,17 2.462,18 3.245,19 1.915,20 1.915,21 5.68,22 84.582,23 84.582,24 2.822,25 5.589,26 5.589,27 8.416,28 2.914,29 182.064,30 435.997,31 20.404,32 2.883,33 7.624,34 2.898,35 2.956,36 1,37 15.35,38 2.968,39 2.829,40 4.239,41 1.121,42 1.079,43 5.016,44 1.733,45 30.529,46 2.733,47 4.247,48 34.03,49 2.695,50 1.602,51 1.191,52 19356,53 2.734,54 2.345,55 26.596,56 0.951,57 2.645,58 0.162,59 7.569,60 3.501,61 56.369,62 3.973,63 126,64 19.103,65 12.141,66 5.106,67 3.064,68 0.532,69 21.317,70 5.7}
{0 CHEMBL1651521,1 20.781,2 21.252,3 3.375,4 1.982,5 1.605,6 18.397,7 0.991,8 0.991,9 151.621,10 2.172,11 2.172,12 137.722,13 1.059,14 93.603,15 8.386,16 3.092,17 2.02,18 2.996,19 1.67,20 1.67,21 4.113,22 68.861,23 68.861,24 2.772,25 4.385,26 4.385,27 11.888,28 2.15,29 184.651,30 442.309,31 36.719,32 2.907,33 4.532,34 2.962,35 3.027,36 6,37 14.527,38 3.056,39 2.639,40 3.924,41 1.274,42 1.21,43 4.542,44 1.59,45 30.864,46 2.797,47 2.989,48 22.14,49 2.754,50 1.067,51 1.233,52 10459,53 2.804,54 2.015,55 13.965,56 0.975,57 2.762,58 0.468,59 5.217,60 3.445,61 39.682,62 3.904,63 72,64 19.48,65 8.022,66 4.732,67 2.535,68 0.018,69 18.397,70 5}
{0 CHEMBL16699,1 10.17,2 6.604,3 3.745,4 1.69,5 1.094,6 14.723,7 0.724,8 0.724,9 158.49,10 1.87,11 1.87,12 127.906,13 1.023,14 85.239,15 7.2,16 2.972,17 2.196,18 2.969,19 1.482,20 1.482,21 4.515,22 52.876,23 52.876,24 2.547,25 4.429,26 4.429,27 9.223,28 2.111,29 149.488,30 356.512,31 23.101,32 2.727,33 6.951,34 2.772,35 2.851,36 3,37 12.411,38 2.905,39 2.465,40 3.842,41 1.172,42 1.027,43 4.656,44 1.454,45 26.176,46 2.776,47 3.329,48 19.417,49 2.59,50 0.606,51 1.166,52 5570,53 2.758,54 1.988,55 12.327,56 0.95,57 2.62,58 0.242,59 5.703,60 3.357,61 39.946,62 4.209,63 51,64 12.659,65 8.724,66 4.82,67 2.502,68 -0.86,69 14.723,70 6.301}
{0 CHEMBL1682341,1 13.601,2 17.212,3 3.274,4 1.998,5 1.044,6 14.071,7 1,8 1,9 144.63,10 2.136,11 2.136,12 123.02,13 1,14 83.612,15 6.77,16 2.925,17 1.863,18 2.751,19 1.291,20 1.291,21 3.457,22 49.258,23 49.258,24 2.332,25 2.979,26 2.979,27 4.401,28 2.5,29 142.299,30 338.97,31 13.014,32 2.687,33 5.099,34 2.486,35 2.583,37 11.269,38 2.854,39 2.269,40 3.541,41 1.104,42 1.05,43 3.578,44 1.261,45 24.074,46 2.735,47 3.247,48 19.175,49 2.259,50 0.714,51 1.092,52 7597,53 2.715,54 1.508,55 16.653,56 0.86,57 2.259,58 0.154,59 6.383,60 3.262,61 35.705,62 4.004,63 65,64 12.155,65 7.97,66 4.764,67 2.512,68 -0.911,69 14.071,70 5.7}
{0 CHEMBL1682345,1 8.381,2 13.558,3 3.274,4 1.99,5 1.035,6 14.071,7 1,8 1,9 144.463,10 2.136,11 2.136,12 122.687,13 1,14 83.897,15 6.759,16 2.925,17 1.863,18 2.751,19 1.291,20 1.291,21 3.462,22 49.258,23 49.258,24 2.332,25 2.979,26 2.979,27 4.169,28 2.5,29 142.299,30 338.97,31 13.199,32 2.687,33 5.099,34 2.485,35 2.582,37 11.269,38 2.854,39 2.262,40 3.54,41 1.101,42 1.064,43 3.578,44 1.251,45 24.074,46 2.735,47 3.247,48 19.336,49 2.264,50 0.703,51 1.091,52 7599,53 2.715,54 1.508,55 16.653,56 0.855,57 2.268,58 0.139,59 6.401,60 3.262,61 35.705,62 4.013,63 65,64 12.155,65 7.97,66 4.764,67 2.512,68 -0.923,69 14.071,70 5.7}
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{0 CHEMBL1682359,1 3.638,2 1.471,3 3,4 1.364,5 0.688,6 11.665,7 0.392,8 0.392,9 115.565,10 0.969,11 0.969,12 98.372,13 0.676,14 66.348,15 5.757,16 2.402,17 1.115,18 2.213,19 0.919,20 0.919,21 2.79,22 46.24,23 46.24,24 2.077,25 1.812,26 1.812,27 3.732,28 1.883,29 120.105,30 284.817,31 11.388,32 2.191,33 3.785,34 2.265,35 2.36,36 1,37 9.604,38 2.285,39 1.902,40 3.324,41 0.972,42 0.842,43 3.286,44 0.902,45 20.279,46 2.063,47 2.498,48 12.817,49 1.962,50 -0.261,51 0.985,52 3951,53 2.066,54 1.459,55 10.858,56 0.624,57 1.956,59 4.401,60 3.082,61 28.864,62 4.013,63 52,64 10.392,65 6.276,66 4.508,67 2.055,68 -1.605,69 11.665,70 5.7}
{0 CHEMBL1682540,3 3.034,4 1.372,5 1,6 11.949,7 0.402,8 0.402,9 133.769,10 0.995,11 0.995,12 111.464,13 0.963,14 68.032,15 5.633,16 2.457,17 1.858,18 2.741,19 1.253,20 1.253,21 2.971,22 40.137,23 40.137,24 2.045,25 2.868,26 2.868,27 3.15,28 1.896,29 116.45,30 275.897,31 8.33,32 2.28,33 4.946,34 2.265,35 2.38,37 9.408,38 2.373,39 2.216,40 3.451,41 0.929,42 0.771,43 3.594,44 1.203,45 19.551,46 2.165,47 3,48 16.522,49 2.02,50 0.347,51 0.91,52 4824,53 2.182,54 1.499,55 10.617,56 0.658,57 2.031,59 5.727,60 3.059,61 32,62 4.031,63 36,64 9.656,65 7.274,66 4.673,67 2.5,68 -1.379,69 11.949,70 5.7}
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{0 CHEMBL1964937,1 14.444,2 17.412,3 3.563,4 2.095,5 1.543,6 18.64,7 1.119,8 1.119,9 180.037,10 2.604,11 2.604,12 153.785,13 1.257,14 104.771,15 9.088,16 3.131,17 2.259,18 3.043,19 1.545,20 1.545,21 4.976,22 74.775,23 74.775,24 2.744,25 3.614,26 3.614,27 10.008,28 2.53,29 191.459,30 458.92,31 30.642,32 2.814,33 6.716,34 2.866,35 2.942,36 2,37 14.929,38 3.039,39 2.509,40 3.954,41 1.28,42 1.165,43 4.104,44 1.485,45 32.784,46 2.873,47 3.46,48 25.409,49 2.715,50 1.348,51 1.336,52 14714,53 2.846,54 1.82,55 25.654,56 1.08,57 2.735,58 0.36,59 7.13,60 3.539,61 45.982,62 4.023,63 97,64 17.774,65 10.131,66 4.934,67 2.66,68 0.191,69 18.64,70 5.7}
{0 CHEMBL1965131,1 14.937,2 17.631,3 3.637,4 2,5 1.875,6 18.784,7 1,8 1,9 215.165,10 2.275,11 2.275,12 192.171,13 1.112,14 97.706,15 8.538,16 2.925,17 1.958,18 2.873,19 1.465,20 1.465,21 5.496,22 67.611,23 67.611,24 2.822,25 3.971,26 3.971,27 6.719,28 2.5,29 174.691,30 418.007,31 20.498,32 2.887,33 7.485,34 2.854,35 2.912,36 4,37 14.85,38 2.883,39 2.414,40 4.304,41 1.007,42 0.972,43 4.403,44 1.366,45 27.852,46 2.735,47 3.414,48 23.348,49 2.68,50 1,51 1.07,52 10836,53 2.715,54 1.869,55 17.271,56 0.886,57 2.676,58 0.065,59 6.303,60 3.424,61 42.058,62 4.125,63 90,64 17.208,65 9.027,66 4.86,67 2.689,68 -0.251,69 17.43,70 5.7}
{0 CHEMBL1965423,1 7.489,2 4.198,3 4.521,4 2.349,5 1.67,6 19.604,7 1.414,8 1.414,9 234.106,10 4.226,11 4.226,12 202.077,13 1.535,14 115.15,15 10.366,16 3.037,17 2.389,18 3.162,19 1.92,20 1.92,21 5.735,22 78.965,23 78.965,24 2.764,25 5.202,26 5.202,27 9.704,28 2.903,29 201.862,30 484.302,31 23.171,32 2.852,33 8.937,34 2.874,35 3.009,37 16.95,38 2.941,39 2.869,40 4.116,41 1.282,42 1.299,43 4.822,44 1.815,45 34.705,46 2.78,47 4.406,48 29.308,49 2.715,50 1.403,51 1.308,52 15853,53 2.781,54 2.13,55 24.644,56 1.172,57 2.735,58 0.469,59 7.441,60 3.633,61 52.92,62 4.104,63 114,64 18.469,65 11.28,66 5.095,67 3.011,68 0.256,69 20.121,70 5.7}
{0 CHEMBL1965495,1 5.75,2 3.815,3 3.055,4 1.456,5 1,6 12.535,7 0.497,8 0.497,9 122.606,10 0.873,11 0.873,12 101.912,13 0.742,14 67.892,15 5.602,16 2.918,17 1.5,18 2.636,19 1,20 1,21 2.946,22 40.084,23 40.084,24 2.256,25 2.136,26 2.136,27 4.13,28 2.177,29 123.714,30 293.621,31 9.545,32 2.62,33 4.96,34 2.389,35 2.468,36 2,37 9.806,38 2.812,39 2,40 3.525,41 1.028,42 0.818,43 3.357,44 1,45 20.307,46 2.512,47 2.404,48 17.29,49 2.208,50 0.236,51 1.029,52 4215,53 2.534,54 1.521,55 9.222,56 0.739,57 2.194,58 0.041,59 5.597,60 3.099,61 31.499,62 4.03,63 42,64 10.647,65 6.81,66 4.654,67 2.5,68 -1.242,69 12.535,70 6.1}
{0 CHEMBL1965507,1 24.83,2 34.91,3 4.205,4 2.38,5 2.087,6 21.441,7 1.425,8 1.425,9 217.856,10 3.575,11 3.575,12 196.174,13 1.689,14 117.735,15 9.911,16 3.171,17 2.625,18 3.352,19 1.975,20 1.975,21 5.207,22 83.271,23 83.271,24 2.859,25 5.636,26 5.636,27 8.41,28 2.936,29 207.396,30 497.807,31 25.207,32 2.964,33 7.822,34 2.971,35 3.074,36 2,37 16.787,38 3.112,39 2.856,40 4.098,41 1.181,42 1.164,43 4.873,44 1.721,45 34.159,46 2.946,47 3.757,48 33.604,49 2.749,50 1.24,51 1.283,52 22707,53 2.927,54 2.196,55 32.8,56 1.008,57 2.749,58 0.22,59 8.856,60 3.59,61 50.902,62 4.046,63 126,64 20.106,65 10.72,66 5.072,67 3.135,68 0.512,69 21.087,70 5.7}
{0 CHEMBL1965570,1 14.841,2 18.707,3 4.119,4 2.393,5 1.875,6 21.562,7 1.414,8 1.414,9 244.615,10 3.575,11 3.575,12 212.283,13 1.581,14 123.635,15 10.591,16 3.106,17 2.685,18 3.416,19 1.976,20 1.976,21 6.046,22 85.595,23 85.595,24 2.839,25 5.415,26 5.415,27 11.182,28 2.875,29 213.462,30 512.608,31 30.382,32 2.991,33 8.835,34 2.907,35 2.964,36 6,37 17.449,38 3.028,39 2.915,40 4.219,41 1.277,42 1.184,43 4.816,44 1.841,45 35.847,46 2.875,47 4.054,48 36.711,49 2.737,50 1.497,51 1.351,52 26307,53 2.857,54 2.275,55 36.559,56 1.188,57 2.735,58 0.29,59 9.554,60 3.67,61 55.53,62 4.136,63 144,64 20.522,65 12.217,66 5.169,67 3.123,68 0.673,69 22.079,70 5.7}
{0 CHEMBL1965589,1 15.053,2 17.95,3 4.17,4 2.375,5 1.894,6 19.14,7 1.435,8 1.435,9 228.744,10 3.571,11 3.571,12 192.669,13 1.544,14 106.995,15 9.523,16 3.224,17 2.438,18 3.185,19 1.799,20 1.799,21 4.956,22 83.271,23 83.271,24 2.866,25 5.317,26 5.317,27 7.751,28 2.889,29 193.127,30 462.99,31 19.553,32 2.972,33 7.484,34 2.904,35 2.959,36 1,37 16.102,38 3.137,39 2.738,40 4.126,41 1.269,42 1.138,43 4.941,44 1.684,45 32.694,46 2.907,47 4.04,48 32.826,49 2.735,50 1.331,51 1.316,52 18620,53 2.914,54 2.198,55 27.88,56 1.105,57 2.733,58 0.356,59 8.044,60 3.547,61 53.798,62 4.015,63 118,64 18.895,65 11.436,66 5.103,67 3.115,68 0.41,69 20.88,70 5.7}
{0 CHEMBL1965631,1 18.24,2 26.806,3 3.997,4 2.29,5 1.563,6 19.51,7 1.314,8 1.314,9 188.731,10 3.174,11 3.174,12 162.759,13 1.476,14 109.563,15 8.955,16 3.109,17 2.123,18 2.944,19 1.665,20 1.665,21 4.3,22 76.792,23 76.792,24 2.752,25 4.195,26 4.195,27 5.922,28 2.776,29 195.326,30 468.355,31 22.913,32 2.908,33 6.369,34 2.874,35 3.009,37 15.755,38 3.04,39 2.643,40 3.902,41 1.377,42 1.308,43 4.349,44 1.611,45 32.824,46 2.884,47 3.576,48 28.849,49 2.721,50 1.201,51 1.35,52 16368,53 2.884,54 2.093,55 31.362,56 1.098,57 2.735,58 0.469,59 7.963,60 3.514,61 46.992,62 4.017,63 118,64 18.355,65 9.821,66 4.992,67 2.933,68 0.143,69 19.51,70 5.7}
{0 CHEMBL1965660,1 9.189,2 6.774,3 3.543,4 1.896,5 1.308,6 17.56,7 0.948,8 0.948,9 174.818,10 2.454,11 2.454,12 163.302,13 1.131,14 89.973,15 7.282,16 2.887,17 1.981,18 2.841,19 1.406,20 1.406,21 3.782,22 62.707,23 62.707,24 2.56,25 3.738,26 3.738,27 6.042,28 2.431,29 160.762,30 384.02,31 15.066,32 2.859,33 5.909,34 2.569,35 2.654,36 6,37 13.189,38 2.859,39 2.351,40 3.968,41 1.097,42 0.792,43 4.227,44 1.265,45 25.244,46 2.726,47 3.467,48 24.07,49 2.365,50 0.982,51 1.06,52 10013,53 2.733,54 1.873,55 17.365,56 0.868,57 2.343,59 6.688,60 3.274,61 40.006,62 3.989,63 71,64 15.804,65 8.247,66 4.806,67 2.672,68 -0.692,69 16.56,70 5.7}
{0 CHEMBL1965836,1 16.206,2 16.1,3 4.353,4 2.466,5 2.004,6 20.217,7 1.507,8 1.507,9 217.561,10 4.15,11 4.15,12 202.448,13 1.715,14 114.669,15 9.899,16 3.13,17 2.581,18 3.307,19 1.884,20 1.884,21 4.885,22 92.544,23 92.544,24 2.838,25 5.414,26 5.414,27 10.376,28 2.941,29 211.311,30 507.359,31 28.326,32 2.931,33 6.981,34 2.978,35 3.055,36 3,37 17.187,38 3.058,39 2.852,40 4.06,41 1.231,42 1.233,43 4.951,44 1.82,45 35.358,46 2.892,47 4.01,48 33.966,49 2.79,50 1.291,51 1.29,52 28546,53 2.897,54 2.209,55 35.055,56 1.032,57 2.793,58 0.249,59 8.516,60 3.607,61 53.384,62 4.034,63 132,64 22.128,65 10.898,66 5.097,67 3.082,68 0.51,69 22.717,70 5.7}
{0 CHEMBL1965845,1 19.002,2 23.993,3 3.748,4 2.218,5 1.588,6 19.51,7 1.235,8 1.235,9 188.144,10 2.832,11 2.832,12 161.224,13 1.377,14 109.69,15 9.464,16 3.219,17 2.29,18 3.044,19 1.546,20 1.546,21 5.227,22 78.276,23 78.276,24 2.812,25 4.042,26 4.042,27 10.972,28 2.642,29 201.051,30 482.326,31 32.991,32 2.991,33 6.84,34 3.039,35 3.131,36 1,37 16.106,38 3.158,39 2.511,40 3.992,41 1.433,42 1.336,43 4.342,44 1.488,45 34.546,46 2.917,47 3.561,48 26.346,49 2.845,50 1.388,51 1.367,52 16295,53 2.934,54 2.129,55 27.663,56 1.097,57 2.873,58 0.57,59 7.302,60 3.579,61 47.976,62 4.023,63 114,64 18.727,65 10.564,66 4.97,67 2.783,68 0.31,69 19.51,70 5.7}
{0 CHEMBL1965910,1 26.71,2 30.133,3 4.414,4 2.527,5 1.783,6 23.614,7 1.564,8 1.564,9 244.645,10 4.066,11 4.066,12 205.34,13 1.638,14 141.865,15 12.883,16 3.27,17 2.305,18 3.191,19 1.995,20 1.995,21 7.749,22 94.991,23 94.991,24 2.952,25 5.682,26 5.682,27 16.535,28 2.904,29 253.282,30 609.767,31 44.881,32 3.1,33 9.551,34 3.111,35 3.206,36 3,37 20.144,38 3.224,39 2.951,40 4.237,41 1.52,42 1.429,43 5.068,44 1.903,45 45.143,46 3.039,47 4.128,48 32.508,49 2.918,50 1.524,51 1.529,52 25794,53 3.043,54 2.417,55 43.489,56 1.31,57 2.941,58 0.825,59 8.097,60 3.872,61 60.752,62 4.053,63 183,64 22.573,65 13.562,66 5.196,67 3.007,68 0.964,69 23.614,70 5.7}
{0 CHEMBL1965988,1 22.195,2 27.362,3 4.193,4 2.414,5 2.136,6 22.148,7 1.438,8 1.438,9 220.369,10 3.307,11 3.307,12 194.267,13 1.612,14 127.847,15 10.526,16 3.223,17 2.593,18 3.431,19 1.834,20 1.834,21 5.693,22 82.535,23 82.535,24 2.947,25 4.972,26 4.972,27 10.391,28 3.074,29 222.456,30 534.551,31 28.432,32 3.012,33 8.465,34 3.083,35 3.175,36 9,37 17.716,38 3.144,39 2.778,40 4.145,41 1.321,42 1.251,43 4.718,44 1.741,45 37.222,46 2.986,47 3.697,48 33.626,49 2.876,50 1.24,51 1.388,52 22546,53 2.968,54 2.179,55 36.73,56 1.14,57 2.887,58 0.301,59 8.776,60 3.686,61 52.313,62 4.126,63 146,64 21.016,65 11.019,66 5.121,67 3.185,68 0.615,69 21.794,70 6.6}
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{0 CHEMBL1966279,1 19.367,2 18.535,3 4.033,4 2.531,5 1.856,6 24.381,7 1.543,8 1.543,9 268.679,10 3.254,11 3.254,12 231.193,13 1.578,14 128.796,15 12.062,16 3.306,17 2.584,18 3.309,19 1.84,20 1.84,21 6.65,22 98.784,23 98.784,24 3.002,25 5.13,26 5.13,27 10.866,28 2.728,29 237.372,30 570.947,31 33.596,32 3.221,33 9.094,34 3.052,35 3.131,36 1,37 18.932,38 3.27,39 2.836,40 4.31,41 1.308,42 1.305,43 4.875,44 1.827,45 39.347,46 3.049,47 3.638,48 40.71,49 2.921,50 1.501,51 1.396,52 30583,53 3.079,54 2.274,55 39.862,56 1.157,57 2.907,58 0.399,59 9.378,60 3.744,61 57.056,62 4.072,63 190,64 23.645,65 12.362,66 5.19,67 3.015,68 0.951,69 24.131,70 5.7}
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{0 CHEMBL1966514,1 16.513,2 22.779,3 4.466,4 2.6,5 2.042,6 21.562,7 1.631,8 1.631,9 242.769,10 4.382,11 4.382,12 212.283,13 1.683,14 123.635,15 10.585,16 3.107,17 2.761,18 3.436,19 1.992,20 1.992,21 6.006,22 85.595,23 85.595,24 2.841,25 5.699,26 5.699,27 11.197,28 3.09,29 213.462,30 512.608,31 30.371,32 2.995,33 8.835,34 2.907,35 2.964,36 6,37 17.449,38 3.028,39 2.915,40 4.195,41 1.276,42 1.183,43 4.902,44 1.842,45 35.847,46 2.875,47 4.089,48 36.594,49 2.737,50 1.275,51 1.35,52 26604,53 2.857,54 2.275,55 37.156,56 1.187,57 2.735,58 0.29,59 9.539,60 3.67,61 55.347,62 4.136,63 146,64 20.522,65 12.003,66 5.169,67 3.191,68 0.625,69 22.079,70 5.9}
{0 CHEMBL1966524,1 8.592,2 7.94,3 4.144,4 2.443,5 1.546,6 19.985,7 1.53,8 1.53,9 220.422,10 3.701,11 3.701,12 192.689,13 1.441,14 116.579,15 10.301,16 3.067,17 2.298,18 3.045,19 1.546,20 1.546,21 6.076,22 76.64,23 76.64,24 2.862,25 4.312,26 4.312,27 9.458,28 2.994,29 204.53,30 490.814,31 24.875,32 2.914,33 8.511,34 2.885,35 2.963,36 3,37 16.525,38 3.003,39 2.518,40 4.085,41 1.275,42 1.152,43 4.414,44 1.501,45 35.216,46 2.836,47 3.595,48 27.677,49 2.775,50 1.358,51 1.262,52 19023,53 2.832,54 2.064,55 27.957,56 1.037,57 2.808,58 0.385,59 7.982,60 3.658,61 50.202,62 4.104,63 111,64 18.286,65 11.022,66 5.066,67 3.032,68 0.347,69 19.631,70 5.7}
{0 CHEMBL1966628,1 12.649,2 20,3 3.477,4 2,5 1.207,6 15.648,7 1,8 1,9 156.491,10 2.429,11 2.429,12 134.519,13 1.138,14 90.848,15 8.071,16 2.98,17 1.979,18 2.898,19 1.482,20 1.482,21 4.488,22 61.894,23 61.894,24 2.684,25 3.49,26 3.49,27 6.381,28 2.5,29 164.541,30 393.239,31 22.316,32 2.801,33 6.104,34 2.83,35 2.922,36 1,37 12.866,38 2.887,39 2.437,40 3.761,41 1.179,42 1.123,43 4.016,44 1.412,45 28.364,46 2.657,47 3.414,48 18.821,49 2.607,50 1,51 1.179,52 8679,53 2.686,54 1.826,55 17.732,56 1.003,57 2.593,58 0.282,59 5.52,60 3.398,61 39.562,62 4.013,63 84,64 14.462,65 8.62,66 4.779,67 2.668,68 -0.837,69 15.648,70 5.7}
{0 CHEMBL1966703,1 19.011,2 24.686,3 3.738,4 2.153,5 1.628,6 16.19,7 1.166,8 1.166,9 180.758,10 2.897,11 2.897,12 149.485,13 1.353,14 93.552,15 8.165,16 3.033,17 2.028,18 2.937,19 1.639,20 1.639,21 4.923,22 68.311,23 68.311,24 2.7,25 4.828,26 4.828,27 9.332,28 2.595,29 168.537,30 402.99,31 27.706,32 2.791,33 6.807,34 2.895,35 3.009,36 7,37 14.021,38 2.938,39 2.594,40 4.009,41 1.322,42 1.227,43 4.802,44 1.56,45 29.262,46 2.733,47 3.593,48 19.97,49 2.683,50 0.994,51 1.259,52 8062,53 2.734,54 1.965,55 14.743,56 0.934,57 2.694,58 0.469,59 5.271,60 3.463,61 43.981,62 4.01,63 62,64 15.438,65 9.252,66 4.881,67 2.859,68 -0.293,69 17.06,70 5.7}
{0 CHEMBL1966722,1 18.538,2 21.476,3 3.43,4 2,5 1.38,6 20.985,7 1,8 1,9 194.863,10 2.275,11 2.275,12 181.977,13 1.317,14 114.116,15 9.25,16 2.925,17 2.136,18 3.007,19 1.571,20 1.571,21 4.559,22 80.032,23 80.032,24 2.687,25 3.646,26 3.646,27 9.897,28 2.5,29 205.667,30 493.588,31 27.248,32 2.889,33 6.665,34 2.854,35 2.925,36 10,37 16.297,38 2.854,39 2.555,40 4.14,41 1.181,42 1.107,43 4.13,44 1.514,45 33.523,46 2.735,47 3.414,48 30.442,49 2.715,50 1.102,51 1.107,52 16842,53 2.715,54 1.944,55 26.306,56 0.886,57 2.735,58 0.218,59 7.851,60 3.553,61 45.993,62 3.947,63 130,64 20.297,65 9.995,66 4.952,67 2.781,68 0.318,69 19.985,70 5.7}
{0 CHEMBL1966808,1 15.889,2 20.315,3 3.615,4 1.986,5 1.407,6 15.742,7 1.044,8 1.044,9 203.45,10 2.62,11 2.62,12 172.967,13 1.317,14 86.049,15 8.464,16 2.925,17 1.876,18 2.795,19 1.474,20 1.474,21 5.561,22 62.402,23 62.402,24 2.614,25 3.949,26 3.949,27 5.17,28 2.476,29 152.96,30 364.983,31 15.94,32 2.687,33 8.383,34 2.664,35 2.737,36 2,37 13.06,38 2.854,39 2.417,40 4.011,41 1.147,42 1.034,43 4.358,44 1.373,45 26.176,46 2.735,47 3.5,48 19.551,49 2.489,50 1.033,51 1.107,52 8606,53 2.715,54 1.931,55 16.628,56 0.886,57 2.482,58 0.111,59 5.703,60 3.387,61 42.617,62 4.057,63 71,64 13.381,65 9.528,66 4.875,67 2.5,68 -0.612,69 15.389,70 5.7}
{0 CHEMBL1966816,1 17.805,2 25.064,3 3.49,4 2.074,5 1.618,6 14.656,7 1.123,8 1.123,9 177.177,10 2.542,11 2.542,12 163.166,13 1.325,14 80.387,15 6.999,16 2.84,17 2.037,18 2.895,19 1.523,20 1.523,21 3.251,22 66.306,23 66.306,24 2.539,25 3.817,26 3.817,27 4.989,28 2.572,29 151.687,30 361.877,31 12.524,32 2.666,33 4.925,34 2.66,35 2.715,36 2,37 12.433,38 2.765,39 2.456,40 3.944,41 0.929,42 0.859,43 4.313,44 1.402,45 24.034,46 2.576,47 3.441,48 28.696,49 2.542,50 1.189,51 0.961,52 14634,53 2.572,54 1.916,55 18.806,56 0.7,57 2.526,58 0.029,59 7.402,60 3.229,61 41.69,62 3.994,63 70,64 16.969,65 8.644,66 4.869,67 2.832,68 0.096,69 18.027,70 5.7}
{0 CHEMBL1966842,1 29.512,2 45.903,3 4.689,4 2.903,5 2.327,6 30.114,7 1.902,8 1.902,9 310.233,10 5.076,11 5.076,12 272.809,13 1.962,14 170.744,15 14.664,16 3.497,17 2.904,18 3.618,19 2.316,20 2.316,21 7.553,22 117.803,23 117.803,24 3.269,25 6.862,26 6.862,27 13.793,28 3.323,29 302.802,30 730.598,31 38.156,32 3.407,33 11.666,34 3.245,35 3.314,36 2,37 24.929,38 3.463,39 3.278,40 4.437,41 1.577,42 1.529,43 5.328,44 2.221,45 51.733,46 3.276,47 4.573,48 53.688,49 3.081,50 2.149,51 1.603,52 49967,53 3.294,54 2.384,55 61.378,56 1.403,57 3.104,58 0.638,59 12.365,60 3.992,61 73.265,62 4.068,63 269,64 28.841,65 15.488,66 5.426,67 3.479,68 1.193,69 29.761,70 5.5}
{0 CHEMBL1967094,1 9.346,2 10.29,3 3.493,4 2,5 1.267,6 18.079,7 1,8 1,9 200.325,10 2.487,11 2.487,12 183.075,13 1.125,14 102.768,15 8.96,16 2.925,17 2.041,18 2.892,19 1.414,20 1.414,21 5.183,22 67.362,23 67.362,24 2.687,25 3.78,26 3.78,27 7.177,28 2.5,29 178.02,30 426.13,31 18.16,32 2.732,33 7.273,34 2.854,35 2.891,36 2,37 14.695,38 2.854,39 2.374,40 4.015,41 1.181,42 1.107,43 4.185,44 1.344,45 29.546,46 2.735,47 3.414,48 23.144,49 2.715,50 1.008,51 1.107,52 13333,53 2.715,54 1.788,55 24.256,56 0.886,57 2.735,58 0.218,59 6.949,60 3.494,61 43.091,62 4.095,63 104,64 16.308,65 9.432,66 4.914,67 2.698,68 -0.201,69 17.225,70 5.7}
{0 CHEMBL1967116,1 20.473,2 26.718,3 4.534,4 2.682,5 2.136,6 23.303,7 1.704,8 1.704,9 247.977,10 4.651,11 4.651,12 215.043,13 1.742,14 134.53,15 11.255,16 3.227,17 2.772,18 3.465,19 2.089,20 2.089,21 6.383,22 88.261,23 88.261,24 2.956,25 5.71,26 5.71,27 11.701,28 3.132,29 231.449,30 556.495,31 35.313,32 3.044,33 9.341,34 3.13,35 3.219,36 6,37 18.98,38 3.145,39 3.051,40 4.221,41 1.387,42 1.34,43 4.903,44 2.003,45 39.228,46 2.987,47 4.388,48 37.172,49 2.926,50 1.413,51 1.43,52 26428,53 2.968,54 2.321,55 39.743,56 1.237,57 2.935,58 0.481,59 9.471,60 3.742,61 57.758,62 4.136,63 156,64 21.468,65 12.339,66 5.197,67 3.251,68 0.697,69 22.949,70 7.8}
{0 CHEMBL1967302,1 17.176,2 20.104,3 4.243,4 2.508,5 1.794,6 20.501,7 1.527,8 1.527,9 205.921,10 3.821,11 3.821,12 175.946,13 1.501,14 115.32,15 9.971,16 3.076,17 2.319,18 3.132,19 1.83,20 1.83,21 5.398,22 78.276,23 78.276,24 2.811,25 5.187,26 5.187,27 9.979,28 2.882,29 206.988,30 496.811,31 26.614,32 2.9,33 7.94,34 2.937,35 3.007,36 4,37 16.391,38 3.017,39 2.814,40 4.023,41 1.285,42 1.188,43 4.79,44 1.796,45 35.784,46 2.85,47 4.145,48 30.319,49 2.801,50 1.546,51 1.274,52 20778,53 2.851,54 2.181,55 30.009,56 1.049,57 2.808,58 0.389,59 8.317,60 3.652,61 52.195,62 4.049,63 122,64 18.859,65 11.335,66 5.085,67 3.045,68 0.657,69 20.501,70 5.7}
{0 CHEMBL1967531,1 14.885,2 20.83,3 3.569,4 2,5 1.519,6 18.286,7 1.064,8 1.064,9 191.864,10 2.684,11 2.684,12 171.906,13 1.361,14 104.575,15 8.797,16 2.942,17 2.212,18 2.989,19 1.513,20 1.513,21 4.771,22 68.736,23 68.736,24 2.687,25 4.034,26 4.034,27 8.062,28 2.553,29 180.349,30 431.811,31 22.705,32 2.762,33 7.248,34 2.854,35 2.925,36 5,37 14.456,38 2.869,39 2.461,40 3.945,41 1.181,42 1.107,43 4.397,44 1.431,45 29.938,46 2.735,47 3.414,48 27.443,49 2.715,50 1,51 1.107,52 14717,53 2.715,54 1.918,55 24.769,56 0.886,57 2.735,58 0.218,59 7.889,60 3.482,61 44.221,62 4.08,63 100,64 16.64,65 9.494,66 4.945,67 2.846,68 -0.18,69 17.933,70 5.7}
{0 CHEMBL1967544,1 16.804,2 24.466,3 4.374,4 2.614,5 1.618,6 25.536,7 1.618,8 1.618,9 301.232,10 4.069,11 4.069,12 248.16,13 1.614,14 145.007,15 13.05,16 3.427,17 2.427,18 3.118,19 1.703,20 1.703,21 8.112,22 99.971,23 99.971,24 3.225,25 4.795,26 4.795,27 16.307,28 3.076,29 257.428,30 619.884,31 46.237,32 3.267,33 11.381,34 3.359,35 3.397,36 3,37 20.982,38 3.368,39 2.655,40 4.48,41 1.521,42 1.485,43 4.89,44 1.618,45 43.961,46 3.223,47 4.198,48 46.513,49 3.183,50 1.562,51 1.533,52 28008,53 3.215,54 2.362,55 36.093,56 1.35,57 3.193,58 0.573,59 10.411,60 3.859,61 63.167,62 4.17,63 170,64 24.051,65 13.683,66 5.288,67 3.118,68 1.008,69 25.286,70 5.7}
{0 CHEMBL1967560,1 45.066,2 77.376,3 4.893,4 2.922,5 2.306,6 26.811,7 1.97,8 1.97,9 273.346,10 5.676,11 5.676,12 229.569,13 1.907,14 147.504,15 13.551,16 3.422,17 2.588,18 3.437,19 2.167,20 2.167,21 7.83,22 118.284,23 118.284,24 3.054,25 6.625,26 6.625,27 14.459,28 3.081,29 275.721,30 664.518,31 52.78,32 3.175,33 9.969,34 3.241,35 3.314,36 2,37 22.736,38 3.337,39 3.1,40 4.439,41 1.61,42 1.57,43 5.302,44 2.018,45 47.83,46 3.074,47 4.347,48 37.566,49 2.983,50 1.938,51 1.614,52 33098,53 3.092,54 2.429,55 45.526,56 1.331,57 2.978,58 0.825,59 8.04,60 3.864,61 66.159,62 3.894,63 224,64 26.975,65 14.634,66 5.215,67 3.096,68 1.077,69 26.811,70 5.7}
{0 CHEMBL1967564,1 8.052,2 10.484,3 2.973,4 1.432,5 1.116,6 13.242,7 0.457,8 0.457,9 128.126,10 1.071,11 1.071,12 109.874,13 1.011,14 69.818,15 6.314,16 2.765,17 1.672,18 2.615,19 1.116,20 1.116,21 2.988,22 51.859,23 51.859,24 2.266,25 2.851,26 2.851,27 3.863,28 1.917,29 133.565,30 317.658,31 13.159,32 2.442,33 4.722,34 2.463,35 2.546,36 5,37 10.604,38 2.642,39 2.098,40 3.56,41 0.973,42 0.808,43 3.617,44 1.094,45 22.284,46 2.374,47 2.662,48 16.299,49 2.234,50 0.306,51 0.995,52 5210,53 2.381,54 1.535,55 14.022,56 0.74,57 2.236,59 5.045,60 3.163,61 32.21,62 4.057,63 63,64 11.969,65 6.853,66 4.623,67 2.129,68 -1.152,69 13.242,70 5.7}
{0 CHEMBL1967720,1 24.903,2 35.532,3 4.901,4 2.757,5 2.326,6 26.51,7 1.815,8 1.815,9 290.295,10 5.106,11 5.106,12 251.114,13 1.922,14 146.818,15 12.463,16 3.307,17 2.852,18 3.487,19 2.097,20 2.097,21 7.243,22 109.088,23 109.088,24 2.999,25 6.152,26 6.152,27 14.463,28 3.231,29 259.695,30 625.415,31 43.647,32 3.373,33 9.866,34 3.114,35 3.213,36 6,37 21.344,38 3.257,39 3.059,40 4.439,41 1.401,42 1.357,43 5.361,44 2.01,45 43.387,46 3.096,47 4.564,48 45.675,49 2.838,50 2.019,51 1.407,52 41476,53 3.094,54 2.496,55 54.155,56 1.197,57 2.851,58 0.469,59 10.4,60 3.83,61 66.829,62 4.138,63 210,64 25.828,65 14.617,66 5.332,67 3.462,68 1,69 27.026,70 7.2}
{0 CHEMBL1967878,1 36.662,2 58.849,3 4.731,4 2.679,5 2.274,6 22.242,7 1.722,8 1.722,9 237.987,10 4.921,11 4.921,12 201.339,13 1.822,14 130.054,15 11.467,16 3.274,17 2.42,18 3.302,19 2.031,20 2.031,21 7.132,22 99.671,23 99.671,24 2.954,25 5.93,26 5.93,27 12.371,28 2.963,29 233.355,30 561.146,31 41.658,32 2.975,33 8.355,34 3.111,35 3.206,36 4,37 18.961,38 3.172,39 2.968,40 4.224,41 1.532,42 1.476,43 5.098,44 1.918,45 40.569,46 2.952,47 4.349,48 30.777,49 2.91,50 1.957,51 1.491,52 24411,53 2.947,54 2.277,55 35.609,56 1.22,57 2.941,58 0.643,59 7.372,60 3.738,61 58.478,62 3.968,63 168,64 22.269,65 12.651,66 5.118,67 3.074,68 0.72,69 23.112,70 7.7}
{0 CHEMBL1967887,1 7.63,2 7.082,3 3.221,4 1.641,5 1.101,6 13.949,7 0.652,8 0.652,9 131.511,10 1.547,11 1.547,12 113.066,13 1.029,14 78.057,15 6.507,16 2.888,17 1.608,18 2.573,19 1.211,20 1.211,21 3.178,22 55.514,23 55.514,24 2.536,25 2.656,26 2.656,27 5.719,28 2.11,29 143.157,30 341.063,31 15.639,32 2.568,33 4.868,34 2.663,35 2.748,36 2,37 11.258,38 2.8,39 2.172,40 3.583,41 1.051,42 1.002,43 3.513,44 1.162,45 24.046,46 2.593,47 2.632,48 17.42,49 2.461,50 0.704,51 1.015,52 6111,53 2.598,54 1.494,55 14.19,56 0.778,57 2.448,58 0.092,59 5.55,60 3.222,61 33.681,62 4.032,63 72,64 12.943,65 7.268,66 4.635,67 2.432,68 -1.073,69 13.949,70 5.7}
{0 CHEMBL1968070,1 19.388,2 30.145,3 3.055,4 1.292,5 1.299,6 14.776,7 0.342,8 0.342,9 152.036,10 0.861,11 0.861,12 137.23,13 0.998,14 74.208,15 5.982,16 2.665,17 1.764,18 2.744,19 1.273,20 1.273,21 3.015,22 53.977,23 53.977,24 2.353,25 3.125,26 3.125,27 4.644,28 1.663,29 130.576,30 310.365,31 13.162,32 2.536,33 5.823,34 2.439,35 2.545,36 1,37 10.732,38 2.589,39 2.269,40 3.904,41 0.68,42 0.565,43 3.856,44 1.254,45 20.318,46 2.357,47 2.88,48 21.171,49 2.146,50 0.511,51 0.784,52 6573,53 2.374,54 1.71,55 11.45,56 0.496,57 2.097,59 5.996,60 3.063,61 34.936,62 3.912,63 48,64 12.844,65 7.415,66 4.682,67 2.532,68 -0.85,69 14.276,70 5.7}
{0 CHEMBL1968127,1 14.469,2 21.18,3 4.404,4 2.353,5 1.524,6 20.433,7 1.414,8 1.414,9 210.664,10 3.97,11 3.97,12 181.529,13 1.403,14 115.058,15 9.758,16 3.174,17 2.113,18 3.021,19 2.006,20 2.006,21 4.747,22 88.261,23 88.261,24 2.721,25 4.823,26 4.823,27 9.893,28 2.897,29 211.842,30 508.654,31 27.827,32 2.927,33 6.912,34 2.874,35 3.009,36 1,37 17.555,38 3.085,39 2.917,40 4.059,41 1.417,42 1.308,43 4.594,44 1.824,45 36.04,46 2.853,47 3.543,48 30.577,49 2.715,50 1.159,51 1.39,52 17971,53 2.86,54 2.112,55 30.258,56 1.141,57 2.735,58 0.469,59 7.726,60 3.593,61 51.411,62 3.997,63 128,64 20.517,65 10.505,66 5.051,67 2.912,68 0.2,69 21.303,70 5.7}
{0 CHEMBL1968151,1 10.18,2 14.401,3 3.386,4 1.726,5 1.038,6 13.173,7 0.767,8 0.767,9 164.439,10 2.107,11 2.107,12 143.627,13 0.983,14 68.741,15 6.474,16 2.541,17 1.606,18 2.58,19 1.118,20 1.118,21 3.694,22 47.931,23 47.931,24 2.385,25 2.752,26 2.752,27 2.889,28 2.3,29 121.984,30 289.402,31 6.947,32 2.461,33 5.995,34 2.257,35 2.305,36 2,37 10.386,38 2.489,39 2.049,40 3.699,41 0.808,42 0.661,43 3.808,44 1.026,45 19.892,46 2.274,47 3.247,48 17.719,49 2.115,50 0.646,51 0.933,52 5752,53 2.292,54 1.559,55 11.446,56 0.66,57 2.193,59 5.692,60 3.104,61 34.438,62 3.98,63 47,64 10.821,65 7.69,66 4.7,67 2.5,68 -1,69 12.82,70 5.7}
{0 CHEMBL1968245,1 8.957,2 7.515,3 3.639,4 2.372,5 1.546,6 20.554,7 1.492,8 1.492,9 195.451,10 3.147,11 3.147,12 175.568,13 1.399,14 117.602,15 9.737,16 3.065,17 2.251,18 3.045,19 1.546,20 1.546,21 4.896,22 77.912,23 77.912,24 2.87,25 3.934,26 3.934,27 9.382,28 2.859,29 209.126,30 502.027,31 26.589,32 2.997,33 7.09,34 2.878,35 2.96,36 4,37 16.511,38 2.998,39 2.518,40 4.043,41 1.276,42 1.151,43 4.234,44 1.501,45 35.188,46 2.83,47 3.582,48 28.5,49 2.715,50 1.211,51 1.26,52 19535,53 2.828,54 2.031,55 30.754,56 1.035,57 2.735,58 0.378,59 8.172,60 3.613,61 47.83,62 4.047,63 128,64 19.496,65 10.396,66 5.007,67 2.969,68 0.414,69 20.054,70 5.7}
{0 CHEMBL1968380,1 41.796,2 69.22,3 4.893,4 2.92,5 2.306,6 26.811,7 1.97,8 1.97,9 269.849,10 5.676,11 5.676,12 226.655,13 1.904,14 148.213,15 13.766,16 3.423,17 2.588,18 3.437,19 2.167,20 2.167,21 8.176,22 117.4,23 117.4,24 3.054,25 6.625,26 6.625,27 15.761,28 3.081,29 278.519,30 671.346,31 54.847,32 3.181,33 9.969,34 3.241,35 3.314,36 3,37 22.866,38 3.337,39 3.107,40 4.434,41 1.61,42 1.571,43 5.302,44 2.026,45 48.586,46 3.075,47 4.347,48 36.805,49 2.983,50 1.938,51 1.614,52 32586,53 3.092,54 2.462,55 45.526,56 1.331,57 2.978,58 0.825,59 7.813,60 3.892,61 66.159,62 3.903,63 224,64 27.013,65 14.634,66 5.215,67 3.096,68 1.077,69 26.811,70 5.7}
{0 CHEMBL1968406,1 24.231,2 29.077,3 4.534,4 2.673,5 1.971,6 21.018,7 1.706,8 1.706,9 233.205,10 4.65,11 4.65,12 203.247,13 1.716,14 122.323,15 10.758,16 3.18,17 2.554,18 3.275,19 1.881,20 1.881,21 6.595,22 81.403,23 81.403,24 2.935,25 5.742,26 5.742,27 10.806,28 3.013,29 211.325,30 507.392,31 30.624,32 3.095,33 9.662,34 3,35 3.103,36 8,37 17.345,38 3.12,39 2.821,40 4.202,41 1.227,42 1.187,43 5.018,44 1.756,45 36.222,46 3.002,47 4.156,48 30.107,49 2.794,50 1.374,51 1.29,52 19445,53 2.977,54 2.145,55 30.72,56 1.103,57 2.813,58 0.326,59 7.882,60 3.684,61 53.123,62 4.135,63 134,64 19.164,65 11.523,66 5.097,67 3.139,68 0.503,69 20.665,70 5.7}
{0 CHEMBL1968590,1 9.945,2 7.162,3 4.171,4 2.055,5 1.52,6 18.966,7 1.099,8 1.099,9 220.691,10 3.18,11 3.18,12 198.921,13 1.403,14 110.681,15 9.692,16 3.048,17 2.422,18 3.156,19 1.723,20 1.723,21 6.099,22 71.767,23 71.767,24 2.799,25 4.853,26 4.853,27 9.123,28 2.6,29 187.613,30 449.535,31 22.374,32 2.902,33 8.322,34 2.897,35 2.976,36 4,37 15.871,38 2.968,39 2.646,40 4.078,41 1.169,42 1.133,43 4.691,44 1.569,45 31.341,46 2.83,47 3.671,48 25.018,49 2.74,50 1.094,51 1.21,52 13065,53 2.783,54 2.071,55 24.272,56 0.905,57 2.755,58 0.215,59 6.878,60 3.558,61 46.27,62 4.154,63 107,64 17.255,65 10.001,66 4.977,67 3.007,68 -0.248,69 18.259,70 7.6}
{0 CHEMBL1968705,1 29.259,2 41.877,3 4.828,4 2.862,5 2.298,6 27.313,7 1.906,8 1.906,9 270.776,10 5.491,11 5.491,12 233.273,13 1.998,14 154.244,15 13.919,16 3.462,17 2.741,18 3.528,19 2.226,20 2.226,21 7.127,22 110.161,23 110.161,24 3.152,25 6.616,26 6.616,27 12.796,28 3.357,29 281.269,30 678.056,31 38.023,32 3.298,33 9.877,34 3.293,35 3.361,36 1,37 22.613,38 3.393,39 3.181,40 4.311,41 1.521,42 1.539,43 5.242,44 2.121,45 48.847,46 3.194,47 4.372,48 44.108,49 3.121,50 1.631,51 1.598,52 39214,53 3.206,54 2.358,55 57.585,56 1.345,57 3.117,58 0.79,59 10.173,60 3.932,61 67.148,62 4.032,63 242,64 26.394,65 14.714,66 5.332,67 3.414,68 1.172,69 27.313,70 5.7}
{0 CHEMBL1968791,1 25.723,2 26.054,3 4.643,4 2.522,5 1.87,6 23.777,7 1.56,8 1.56,9 248.645,10 4.487,11 4.487,12 207.34,13 1.616,14 142.236,15 12.776,16 3.268,17 2.421,18 3.363,19 2.171,20 2.171,21 7.72,22 94.991,23 94.991,24 2.933,25 6.559,26 6.559,27 15.353,28 2.921,29 253.282,30 609.767,31 41.784,32 3.096,33 9.446,34 3.071,35 3.169,36 3,37 20.36,38 3.223,39 3.121,40 4.214,41 1.671,42 1.425,43 5.251,44 2.054,45 45.143,46 3.039,47 4.26,48 32.719,49 2.868,50 1.59,51 1.644,52 25578,53 3.043,54 2.361,55 45.022,56 1.408,57 2.869,58 0.842,59 8.197,60 3.872,61 60.956,62 4.075,63 183,64 22.573,65 13.535,66 5.207,67 3.106,68 0.956,69 23.777,70 5.7}
{0 CHEMBL1968850,1 16.564,2 26.849,3 2.785,4 0.942,5 0.723,6 12.328,9 129.375,12 117.988,13 0.252,14 65.627,15 5.323,16 2.55,17 1.478,18 2.529,19 1,20 1,21 2.622,22 44.334,23 44.334,24 2.243,25 2.564,26 2.564,27 3.66,28 1.286,29 113.121,30 267.774,31 10.823,32 2.357,33 5.112,34 1.997,35 2.07,37 9.323,38 2.444,39 2.003,40 3.719,41 0.503,42 0.455,43 3.594,44 0.997,45 17.858,46 2.098,47 2.353,48 16.139,49 1.622,50 -0.032,51 0.536,52 4181,53 2.149,54 1.428,55 8.512,56 0.218,57 1.613,59 5.215,60 2.956,61 29.325,62 3.888,63 33,64 10.355,65 6.388,66 4.522,67 1.607,68 -1.399,69 11.828,70 5.7}
{0 CHEMBL1969042,1 15.957,2 20.988,3 3.751,4 2,5 1.363,6 18.803,7 1,8 1,9 180.422,10 2.339,11 2.339,12 155.862,13 1.205,14 102.468,15 8.332,16 2.925,17 2.52,18 3.239,19 1.841,20 1.841,21 4.2,22 68.98,23 68.98,24 2.687,25 5.301,26 5.301,27 7.059,28 2.5,29 182.806,30 437.807,31 19.402,32 2.799,33 7.031,34 2.854,35 2.925,36 3,37 14.217,38 2.89,39 2.801,40 3.92,41 1.181,42 1.107,43 4.803,44 1.759,45 30.71,46 2.735,47 3.414,48 30.742,49 2.715,50 1,51 1.107,52 14168,53 2.715,54 2.072,55 24.798,56 0.886,57 2.735,58 0.218,59 8.321,60 3.491,61 46.515,62 3.983,63 112,64 17.305,65 9.952,66 4.968,67 2.695,68 0.041,69 18.803,70 5.7}
{0 CHEMBL1969049,1 15.446,2 19.526,3 3.497,4 2.057,5 1.575,6 18.518,7 1.08,8 1.08,9 160.982,10 2.584,11 2.584,12 140.534,13 1.254,14 103.05,15 8.541,16 3.132,17 1.987,18 2.869,19 1.478,20 1.478,21 4.421,22 67.863,23 67.863,24 2.687,25 3.512,26 3.512,27 11.017,28 2.548,29 191.929,30 460.066,31 28.264,32 2.899,33 5.858,34 2.854,35 2.925,36 1,37 15.192,38 3.069,39 2.454,40 3.876,41 1.248,42 1.107,43 4.033,44 1.44,45 32.534,46 2.896,47 3.456,48 26.268,49 2.715,50 1.097,51 1.281,52 12872,53 2.894,54 2.055,55 24.533,56 1.034,57 2.735,58 0.273,59 7.32,60 3.529,61 42.736,62 3.97,63 98,64 18,65 9.285,66 4.871,67 2.725,68 -0.379,69 18.518,70 5.7}
{0 CHEMBL1969102,1 17.311,2 24.218,3 4.466,4 2.596,5 2.042,6 22.432,7 1.631,8 1.631,9 239.95,10 4.382,11 4.382,12 208.349,13 1.739,14 129.634,15 10.862,16 3.222,17 2.761,18 3.436,19 1.992,20 1.992,21 6.177,22 84.435,23 84.435,24 2.94,25 5.699,26 5.699,27 11.175,28 3.09,29 221.856,30 533.09,31 33.397,32 3.01,33 8.965,34 3.029,35 3.119,36 7,37 18.033,38 3.144,39 2.903,40 4.184,41 1.38,42 1.34,43 4.902,44 1.812,45 37.466,46 2.986,47 4.089,48 35.616,49 2.844,50 1.24,51 1.429,52 24788,53 2.968,54 2.289,55 37.156,56 1.218,57 2.858,58 0.301,59 9.354,60 3.705,61 55.347,62 4.135,63 146,64 20.522,65 12.003,66 5.169,67 3.191,68 0.624,69 22.079,70 7.6}
{0 CHEMBL1969126,1 9.58,2 6.987,3 4.347,4 2.384,5 1.466,6 17.673,7 1.414,8 1.414,9 220.517,10 3.806,11 3.806,12 182.527,13 1.401,14 100.768,15 8.79,16 3.009,17 2.347,18 3.106,19 1.708,20 1.708,21 4.682,22 74.678,23 74.678,24 2.762,25 4.873,26 4.873,27 7.254,28 2.81,29 176.74,30 423.007,31 16.244,32 2.839,33 7.527,34 2.878,35 2.959,37 15.096,38 2.903,39 2.635,40 4.079,41 1.267,42 1.281,43 4.772,44 1.566,45 29.926,46 2.752,47 4.033,48 30.124,49 2.734,50 1.364,51 1.308,52 15295,53 2.75,54 2.147,55 22.102,56 1.038,57 2.733,58 0.276,59 7.757,60 3.467,61 51.698,62 4.056,63 102,64 17.086,65 11.239,66 5.077,67 2.954,68 0.235,69 19.413,70 5.7}
{0 CHEMBL1969156,1 3.162,2 2.5,3 2.383,4 0.622,5 0.749,6 10.958,7 -0.309,8 -0.309,9 111.354,10 -0.71,11 -0.71,12 93.771,13 0.662,14 61.909,15 4.994,16 2.499,17 1.5,18 2.5,19 1,20 1,21 2.502,22 37.973,23 37.973,24 2.1,25 2.136,26 2.136,27 3.334,28 1.047,29 110.384,30 261.096,31 9.841,32 2.129,33 4.194,34 2.2,35 2.311,36 2,37 8.538,38 2.364,39 1.928,40 3.372,41 0.837,42 0.538,43 3.284,44 0.926,45 18.307,46 2.002,47 2.346,48 14.779,49 1.917,50 -0.593,51 0.841,52 3138,53 2.013,54 1.285,55 7.875,56 0.556,57 1.884,59 5.156,60 2.972,61 27.844,62 3.98,63 34,64 9.218,65 6.056,66 4.489,67 2.156,68 -1.877,69 10.958,70 4.7}
{0 CHEMBL1969190,1 22.454,2 30.042,3 4.437,4 2.467,5 2.235,6 19.51,7 1.469,8 1.469,9 210.616,10 4.131,11 4.131,12 183.374,13 1.678,14 107.307,15 8.808,16 3.016,17 2.481,18 3.232,19 1.879,20 1.879,21 4.407,22 83.09,23 83.09,24 2.821,25 4.963,26 4.963,27 8.199,28 2.95,29 191.997,30 460.233,31 21.684,32 2.913,33 7.099,34 2.937,35 2.985,36 6,37 15.701,38 2.951,39 2.787,40 4.103,41 1.181,42 1.107,43 4.618,44 1.681,45 31.591,46 2.775,47 4.369,48 35.276,49 2.753,50 1.531,51 1.158,52 23320,53 2.771,54 2.169,55 30.973,56 0.93,57 2.735,58 0.218,59 9.067,60 3.497,61 51.865,62 4.032,63 110,64 19.981,65 10.846,66 5.066,67 3.155,68 0.338,69 21.25,70 5.7}
{0 CHEMBL1969264,1 9.101,2 18.192,3 3.65,4 2.265,5 1.483,6 16.897,7 1.257,8 1.257,9 173.069,10 2.954,11 2.954,12 146.818,13 1.35,14 91.726,15 7.914,16 3.009,17 2.226,18 2.984,19 1.484,20 1.484,21 3.85,22 62.708,23 62.708,24 2.634,25 4.156,26 4.156,27 5.912,28 2.767,29 168.278,30 402.359,31 17.838,32 2.719,33 6.639,34 2.874,35 3.009,36 1,37 13.844,38 2.874,39 2.459,40 3.888,41 1.247,42 1.248,43 4.403,44 1.445,45 28.807,46 2.735,47 3.566,48 23.086,49 2.57,50 0.844,51 1.308,52 9387,53 2.724,54 2.026,55 19.458,56 0.934,57 2.618,58 0.305,59 6.287,60 3.435,61 42.31,62 4.122,63 70,64 14.949,65 8.829,66 4.927,67 2.857,68 -0.815,69 16.897,70 5.7}
{0 CHEMBL1969301,1 23.435,2 26.047,3 4.107,4 2.453,5 2.107,6 24.079,7 1.467,8 1.467,9 223.671,10 3.507,11 3.507,12 190.559,13 1.688,14 131.385,15 12.109,16 3.298,17 2.473,18 3.208,19 1.803,20 1.803,21 6.619,22 95.882,23 95.882,24 3.028,25 5.34,26 5.34,27 12.209,28 2.923,29 249.953,30 601.645,31 38.302,32 3.152,33 8.21,34 3.118,35 3.206,36 1,37 19.881,38 3.242,39 2.749,40 4.223,41 1.513,42 1.429,43 4.889,44 1.704,45 42.836,46 3.073,47 3.779,48 34.221,49 2.946,50 1.781,51 1.433,52 24533,53 3.084,54 2.301,55 40.215,56 1.199,57 2.941,58 0.791,59 7.578,60 3.794,61 57.407,62 4.01,63 154,64 23.984,65 12.58,66 5.159,67 3.101,68 1,69 24.079,70 5.7}
{0 CHEMBL1969372,1 11,2 14.194,3 3.607,4 2.15,5 1.548,6 17.769,7 1.222,8 1.222,9 186.087,10 2.856,11 2.856,12 159.951,13 1.341,14 99.839,15 8.403,16 2.97,17 2.206,18 2.993,19 1.527,20 1.527,21 4.035,22 74.508,23 74.508,24 2.763,25 3.99,26 3.99,27 6.394,28 2.619,29 180.138,30 431.296,31 18.475,32 2.802,33 7.033,34 2.854,35 2.925,36 1,37 14.633,38 2.9,39 2.468,40 3.944,41 1.181,42 1.089,43 4.412,44 1.432,45 29.995,46 2.753,47 3.486,48 29.412,49 2.715,50 1.186,51 1.107,52 14198,53 2.752,54 1.978,55 25.213,56 0.886,57 2.735,58 0.218,59 8.103,60 3.424,61 45.784,62 4.005,63 132,64 17.379,65 9.781,66 4.945,67 2.72,68 0.205,69 18.64,70 5.7}
{0 CHEMBL1969483,1 34.83,2 56.661,3 5.028,4 2.976,5 2.484,6 31.813,7 2.049,8 2.049,9 339.148,10 5.887,11 5.887,12 295.556,13 2.134,14 183.669,15 16.039,16 3.547,17 2.898,18 3.632,19 2.366,20 2.366,21 8.629,22 127.256,23 127.256,24 3.365,25 7.249,26 7.249,27 16.861,28 3.397,29 321.388,30 775.947,31 47.584,32 3.416,33 12.937,34 3.441,35 3.49,36 2,37 26.498,38 3.475,39 3.313,40 4.528,41 1.592,42 1.603,43 5.492,44 2.216,45 55.5,46 3.28,47 4.633,48 57.303,49 3.249,50 2.11,51 1.663,52 59350,53 3.294,54 2.453,55 67.083,56 1.434,57 3.247,58 0.782,59 12.824,60 4.064,61 79.44,62 4.07,63 288,64 30.36,65 17.165,66 5.494,67 3.52,68 1.4,69 31.459,70 6.1}
{0 CHEMBL1969502,1 17.303,2 18.934,3 3.654,4 2.254,5 1.811,6 17.673,7 1.247,8 1.247,9 192.452,10 2.889,11 2.889,12 159.312,13 1.529,14 97.898,15 8.549,16 2.925,17 2.22,18 3.071,19 1.63,20 1.63,21 4.811,22 66.039,23 66.039,24 2.687,25 4.355,26 4.355,27 7.6,28 2.666,29 171.546,30 410.332,31 20.824,32 2.788,33 7.096,34 2.854,35 2.896,36 3,37 13.822,38 2.861,39 2.638,40 3.998,41 1.189,42 1.107,43 4.524,44 1.633,45 29.5,46 2.735,47 3.59,48 25.779,49 2.674,50 1.424,51 1.21,52 13124,53 2.715,54 2.25,55 21.03,56 0.997,57 2.662,58 0.254,59 7.058,60 3.488,61 46.385,62 4.073,63 99,64 15.354,65 10.045,66 4.997,67 3.019,68 0.214,69 17.673,70 6.6}
{0 CHEMBL1969506,1 27.998,2 40.052,3 4.798,4 2.516,5 2.547,6 25.793,7 1.51,8 1.51,9 290.538,10 4.58,11 4.58,12 250.409,13 1.691,14 132.181,15 12.051,16 3.218,17 2.703,18 3.444,19 2.07,20 2.07,21 5.965,22 104.56,23 104.56,24 3.019,25 6.409,26 6.409,27 9.085,28 3.025,29 238.699,30 574.186,31 29.698,32 3.026,33 7.801,34 3.09,35 3.111,36 4,37 19.972,38 3.144,39 3.047,40 4.284,41 1.417,42 1.308,43 5.278,44 2.008,45 39.256,46 2.918,47 4.58,48 40.746,49 2.915,50 1.745,51 1.371,52 34970,53 2.919,54 2.472,55 45.417,56 1.097,57 2.9,58 0.469,59 8.937,60 3.723,61 60.693,62 4.062,63 167,64 24.764,65 12.551,66 5.263,67 3.144,68 0.764,69 25.543,70 5.7}
{0 CHEMBL1969523,1 26.523,2 45.402,3 4.257,4 2.182,5 1.74,6 20.474,7 1.199,8 1.199,9 187.391,10 3.25,11 3.25,12 162.365,13 1.324,14 110.919,15 9.115,16 3.107,17 2.245,18 3.173,19 1.744,20 1.744,21 4.615,22 81.635,23 81.635,24 2.764,25 5.017,26 5.017,27 8.479,28 2.664,29 205.647,30 493.538,31 27.482,32 2.884,33 5.693,34 2.874,35 3.009,36 6,37 16.725,38 3.029,39 2.681,40 3.96,41 1.417,42 1.308,43 4.787,44 1.628,45 34.552,46 2.853,47 3.504,48 26.183,49 2.596,50 1.247,51 1.308,52 15076,53 2.855,54 2.016,55 27.357,56 1,57 2.618,58 0.469,59 6.693,60 3.559,61 47.509,62 3.881,63 104,64 20.031,65 10.043,66 4.963,67 2.881,68 -0.147,69 20.474,70 5.9}
{0 CHEMBL1969537,1 8.037,2 4.228,3 3.749,4 1.801,5 1.144,6 14.784,7 0.869,8 0.869,9 221.279,10 2.23,11 2.23,12 191.404,13 1.068,14 85.857,15 7.91,16 2.543,17 1.701,18 2.653,19 1.33,20 1.33,21 5.66,22 52.288,23 52.288,24 2.297,25 4.044,26 4.044,27 4.204,28 2.328,29 135.913,30 323.389,31 5.475,32 2.676,33 8.535,34 2.362,35 2.459,37 12.713,38 2.515,39 2.244,40 4.133,41 0.732,42 0.573,43 4.556,44 1.199,45 22.739,46 2.476,47 3.429,48 14.861,49 2.144,50 0.892,51 0.824,52 5880,53 2.368,54 1.507,55 9.7,56 0.701,57 2.131,59 4.709,60 3.264,61 39.897,62 4.193,63 38,64 11.776,65 8.978,66 4.816,67 2.397,68 -0.962,69 13.43,70 5.7}
{0 CHEMBL1969561,1 16.518,2 25.201,3 3.763,4 2.262,5 1.534,6 19.673,7 1.291,8 1.291,9 195.202,10 2.991,11 2.991,12 163.649,13 1.463,14 111.315,15 9.224,16 3.11,17 2.155,18 3.034,19 1.534,20 1.534,21 4.921,22 76.337,23 76.337,24 2.788,25 4.27,26 4.27,27 7.984,28 2.751,29 198.124,30 475.183,31 28.755,32 2.898,33 6.585,34 2.921,35 3.009,37 16.125,38 3.04,39 2.518,40 3.995,41 1.417,42 1.308,43 4.449,44 1.507,45 33.58,46 2.893,47 3.584,48 28.921,49 2.757,50 1.078,51 1.386,52 13818,53 2.883,54 2.158,55 24.929,56 1.167,57 2.758,58 0.469,59 7.501,60 3.551,61 48.337,62 4.021,63 105,64 18.392,65 10.694,66 5.006,67 2.914,68 0.185,69 19.673,70 5.7}
{0 CHEMBL1969588,1 11.313,2 17.755,3 3.564,4 2,5 1.46,6 16.855,7 1.031,8 1.031,9 167.252,10 2.561,11 2.561,12 151.496,13 1.341,14 98.906,15 8.051,16 2.925,17 2.127,18 2.933,19 1.493,20 1.493,21 4.066,22 58.817,23 58.817,24 2.687,25 3.45,26 3.45,27 7.145,28 2.526,29 169.687,30 405.797,31 20.624,32 2.772,33 6.393,34 2.844,35 2.897,36 2,37 13.586,38 2.854,39 2.48,40 3.823,41 1.159,42 1.024,43 4.006,44 1.463,45 28.449,46 2.735,47 3.247,48 23.648,49 2.691,50 1,51 1.107,52 10648,53 2.715,54 1.63,55 19.764,56 0.886,57 2.666,58 0.218,59 7.27,60 3.423,61 40.666,62 4.032,63 86,64 15.034,65 8.779,66 4.864,67 2.899,68 -0.597,69 16.355,70 5.7}
{0 CHEMBL1969664,1 16.484,2 18.276,3 3.481,4 1.959,5 1.983,6 17.225,7 1,8 1,9 171.256,10 2.275,11 2.275,12 145.643,13 1.202,14 94.054,15 8.246,16 3.058,17 2.194,18 2.991,19 1.523,20 1.523,21 4.499,22 67.56,23 67.56,24 2.733,25 4.444,26 4.444,27 7.953,28 2.5,29 172.274,30 412.11,31 22.493,32 2.866,33 6.725,34 2.833,35 2.897,36 2,37 13.697,38 3.002,39 2.489,40 3.874,41 1.193,42 1.059,43 4.595,44 1.473,45 29.262,46 2.814,47 3.414,48 24.075,49 2.637,50 1.256,51 1.233,52 11934,53 2.817,54 2.018,55 23.232,56 1.005,57 2.605,58 0.26,59 6.805,60 3.43,61 42.802,62 4.068,63 96,64 15.952,65 9.387,66 4.905,67 2.905,68 -0.279,69 17.225,70 5.7}
{0 CHEMBL1969735,1 12.213,2 15.508,3 4.167,4 2.218,5 1.558,6 20.933,7 1.283,8 1.283,9 222.892,10 3.398,11 3.398,12 195.679,13 1.431,14 114.578,15 9.723,16 3.063,17 2.435,18 3.182,19 1.788,20 1.788,21 4.935,22 88.006,23 88.006,24 2.767,25 5.312,26 5.312,27 8.256,28 2.733,29 207.655,30 498.439,31 24.019,32 2.966,33 7.751,34 2.923,35 3.009,36 1,37 17.228,38 2.981,39 2.677,40 4.217,41 1.333,42 1.308,43 4.938,44 1.55,45 34.375,46 2.813,47 3.642,48 32.034,49 2.715,50 1.193,51 1.315,52 18785,53 2.801,54 2.13,55 29.307,56 0.934,57 2.735,58 0.425,59 7.931,60 3.567,61 51.987,62 4.011,63 132,64 20.517,65 11.231,66 5.059,67 3.016,68 0.369,69 21.303,70 5.7}
{0 CHEMBL1969755,1 10.264,2 9.598,3 3.5,4 2.001,5 1.528,6 17.485,7 1.02,8 1.02,9 159.2,10 2.579,11 2.579,12 140.926,13 1.209,14 98.061,15 8.327,16 2.957,17 1.944,18 2.828,19 1.418,20 1.418,21 4.108,22 70.184,23 70.184,24 2.687,25 3.089,26 3.089,27 9.033,28 2.516,29 183.535,30 439.585,31 24.439,32 2.831,33 5.441,34 2.854,35 2.925,36 5,37 14.1,38 2.9,39 2.411,40 3.87,41 1.181,42 1.107,43 3.843,44 1.404,45 30.711,46 2.735,47 3.247,48 26.622,49 2.715,50 1.09,51 1.107,52 13777,53 2.734,54 1.86,55 25.976,56 0.886,57 2.735,58 0.218,59 7.35,60 3.485,61 41.937,62 3.948,63 96,64 17.937,65 8.998,66 4.856,67 2.72,68 -0.166,69 18.355,70 5.7}
{0 CHEMBL1969843,1 9.057,2 5.988,3 3.274,4 1.969,5 1.2,6 14.071,7 1,8 1,9 147.121,10 2.136,11 2.136,12 125.565,13 0.982,14 82.577,15 7.297,16 2.987,17 1.551,18 2.537,19 1.291,20 1.291,21 4.061,22 59.721,23 59.721,24 2.366,25 2.979,26 2.979,27 4.752,28 2.181,29 145.485,30 346.744,31 19.204,32 2.793,33 5.099,34 2.562,35 2.667,37 11.697,38 2.918,39 2.215,40 3.582,41 1.129,42 1.081,43 3.578,44 1.177,45 25.051,46 2.725,47 3.247,48 15.509,49 2.266,50 0.704,51 1.165,52 7444,53 2.736,54 1.507,55 16.653,56 0.858,57 2.262,58 0.261,59 4.943,60 3.278,61 35.705,62 4.012,63 65,64 12.839,65 7.97,66 4.698,67 2.399,68 -0.784,69 14.071,70 5.7}
{0 CHEMBL1969879,1 16.238,2 21.865,3 3.396,4 1.865,5 1.425,6 15.69,7 0.916,8 0.916,9 154.173,10 2.222,11 2.222,12 129.811,13 0.945,14 84.36,15 7.51,16 3.097,17 1.522,18 2.56,19 1.414,20 1.414,21 4.571,22 68.878,23 68.878,24 2.607,25 3.489,26 3.489,27 9.451,28 2.103,29 159.802,30 381.678,31 32.615,32 2.746,33 5.141,34 2.758,35 2.848,36 2,37 12.859,38 2.993,39 2.383,40 3.846,41 1.416,42 1.121,43 4.091,44 1.357,45 27.029,46 2.789,47 3.068,48 17.698,49 2.537,50 1,51 1.334,52 7394,53 2.763,54 1.461,55 14.182,56 1.028,57 2.522,58 0.588,59 4.924,60 3.298,61 38.284,62 3.951,63 68,64 15.254,65 8.478,66 4.687,67 2.5,68 -0.587,69 15.69,70 5.7}
{0 CHEMBL1970074,1 18.603,2 25.872,3 4.377,4 2.41,5 1.844,6 18.803,7 1.437,8 1.437,9 209.714,10 4.045,11 4.045,12 188.947,13 1.473,14 108.208,15 9.105,16 3.117,17 2.606,18 3.343,19 1.909,20 1.909,21 4.663,22 80.716,23 80.716,24 2.731,25 5.261,26 5.261,27 8.399,28 2.864,29 194.795,30 467.06,31 21.437,32 2.925,33 6.696,34 2.908,35 2.991,36 6,37 15.84,38 3.03,39 2.883,40 4.066,41 1.204,42 1.112,43 4.75,44 1.856,45 32.381,46 2.868,47 3.817,48 34.062,49 2.715,50 1.204,51 1.285,52 23356,53 2.878,54 2.238,55 30.267,56 1.008,57 2.735,58 0.244,59 8.587,60 3.544,61 51.282,62 4.056,63 106,64 19.994,65 10.777,66 5.078,67 2.97,68 0.51,69 21.303,70 5.7}
{0 CHEMBL1970083,1 19.296,2 24.778,3 4.592,4 2.638,5 2.047,6 23.139,7 1.695,8 1.695,9 285.433,10 4.627,11 4.627,12 255.809,13 1.823,14 134.938,15 11.697,16 3.285,17 2.845,18 3.44,19 2.016,20 2.016,21 6.625,22 99.456,23 99.456,24 3.017,25 5.688,26 5.688,27 12.433,28 3.148,29 236.112,30 567.874,31 31.455,32 3.293,33 9.577,34 3.06,35 3.142,36 7,37 19.622,38 3.242,39 2.982,40 4.413,41 1.192,42 1.234,43 5.085,44 1.945,45 38.972,46 2.978,47 4.53,48 46.461,49 2.888,50 1.757,51 1.3,52 42695,53 3.025,54 2.472,55 45.097,56 1.051,57 2.896,58 0.218,59 10.672,60 3.751,61 63.973,62 4.137,63 168,64 24.82,65 13.765,66 5.298,67 3.416,68 1,69 26.156,70 7.3}
{0 CHEMBL1970104,1 6.063,2 5.882,3 3.563,4 1.972,5 1.367,6 15.32,7 1.009,8 1.009,9 160.992,10 2.536,11 2.536,12 133.605,13 1.339,14 87.891,15 7.46,16 3.009,17 2.24,18 3.031,19 1.534,20 1.534,21 4.047,22 54.76,23 54.76,24 2.499,25 4.061,26 4.061,27 7.203,28 2.506,29 157.617,30 376.346,31 20.516,32 2.756,33 5.892,34 2.874,35 2.958,36 6,37 12.936,38 2.881,39 2.499,40 3.765,41 1.262,42 1.092,43 4.375,44 1.478,45 27.353,46 2.743,47 3.18,48 18.947,49 2.57,50 0.478,51 1.308,52 7053,53 2.738,54 1.613,55 15.752,56 0.934,57 2.618,58 0.261,59 5.57,60 3.391,61 39.277,62 4.064,63 58,64 13.382,65 8.57,66 4.844,67 2.817,68 -0.927,69 15.32,70 6.8}
{0 CHEMBL1970142,1 26.286,2 33.219,3 4.891,4 2.823,5 2.29,6 27.164,7 1.862,8 1.862,9 281.385,10 5.171,11 5.171,12 243.311,13 1.961,14 151.902,15 12.886,16 3.352,17 2.826,18 3.514,19 2.147,20 2.147,21 7.336,22 106.815,23 106.815,24 3.052,25 6.042,26 6.042,27 14.385,28 3.28,29 268.089,30 645.897,31 44.102,32 3.385,33 10.207,34 3.23,35 3.316,36 6,37 21.966,38 3.279,39 3.127,40 4.395,41 1.533,42 1.409,43 5.2,44 2.097,45 45.211,46 3.133,47 4.609,48 44.526,49 2.986,50 1.944,51 1.534,52 39514,53 3.12,54 2.5,55 56.593,56 1.295,57 3,58 0.619,59 10.457,60 3.864,61 66.36,62 4.137,63 240,64 25.89,65 14.493,66 5.312,67 3.474,68 1,69 26.811,70 7.2}
{0 CHEMBL1970189,1 14.014,2 15.265,3 3.321,4 1.507,5 1.401,6 14.776,7 0.547,8 0.547,9 153.663,10 1.09,11 1.09,12 133.11,13 1.021,14 76.815,15 6.378,16 2.921,17 1.668,18 2.859,19 1.225,20 1.225,21 3.69,22 54.223,23 54.223,24 2.462,25 2.918,26 2.918,27 5.978,28 2.161,29 138.97,30 330.847,31 15.949,32 2.736,33 5.728,34 2.544,35 2.634,36 7,37 11.401,38 2.877,39 2.191,40 3.863,41 1.018,42 0.943,43 3.867,44 1.168,45 22.381,46 2.603,47 2.736,48 18.343,49 2.277,50 0.625,51 1.063,52 5782,53 2.639,54 1.578,55 10.7,56 0.806,57 2.269,58 0.033,59 5.415,60 3.17,61 36.051,62 3.968,63 46,64 13.042,65 7.682,66 4.716,67 2.599,68 -0.889,69 14.276,70 5.7}
{0 CHEMBL1970203,1 27.256,2 39.769,3 4.511,4 2.68,5 2.129,6 22.311,7 1.681,8 1.681,9 224.856,10 4.629,11 4.629,12 202.174,13 1.718,14 122.776,15 10.322,16 3.199,17 2.641,18 3.363,19 1.978,20 1.978,21 5.411,22 87.238,23 87.238,24 2.904,25 5.674,26 5.674,27 8.935,28 3.117,29 216.989,30 521.213,31 26.396,32 3.067,33 7.893,34 3.016,35 3.108,36 3,37 17.709,38 3.14,39 2.879,40 4.138,41 1.283,42 1.255,43 4.97,44 1.879,45 35.921,46 2.995,47 4.205,48 34.506,49 2.819,50 1.757,51 1.314,52 24354,53 2.965,54 2.218,55 34.127,56 1.064,57 2.825,58 0.306,59 8.896,60 3.637,61 52.801,62 4.046,63 120,64 21.066,65 10.951,66 5.103,67 3.232,68 0.519,69 21.957,70 5.7}
{0 CHEMBL1970217,1 15.446,2 19.526,3 3.576,4 2.061,5 1.494,6 18.518,7 1.085,8 1.085,9 161.148,10 2.639,11 2.639,12 140.534,13 1.269,14 103.05,15 8.541,16 3.19,17 2.003,18 2.859,19 1.414,20 1.414,21 4.42,22 67.863,23 67.863,24 2.687,25 3.178,26 3.178,27 10.723,28 2.55,29 191.929,30 460.066,31 27.798,32 2.948,33 5.728,34 2.854,35 2.925,36 1,37 15.192,38 3.143,39 2.378,40 3.88,41 1.26,42 1.107,43 3.945,44 1.361,45 32.534,46 2.94,47 3.457,48 26.215,49 2.715,50 1.109,51 1.315,52 13082,53 2.943,54 2.05,55 25.112,56 1.077,57 2.735,58 0.281,59 7.319,60 3.529,61 42.969,62 3.962,63 98,64 18,65 9.354,66 4.871,67 2.733,68 -0.373,69 18.518,70 5.7}
{0 CHEMBL1970314,1 5.987,2 4.851,3 3.365,4 1.7,5 1.117,6 14.113,7 0.715,8 0.715,9 130.325,10 1.776,11 1.776,12 111.989,13 1.091,14 78.397,15 6.195,16 2.868,17 1.945,18 2.805,19 1.325,20 1.325,21 3.19,22 49.604,23 49.604,24 2.368,25 2.953,26 2.953,27 5.948,28 2.227,29 140.1,30 333.605,31 14.157,32 2.694,33 5.318,34 2.515,35 2.595,36 5,37 10.706,38 2.812,39 2.311,40 3.639,41 1.065,42 0.788,43 3.619,44 1.305,45 23.279,46 2.591,47 2.686,48 20.848,49 2.362,50 0.14,51 1.016,52 5783,53 2.624,54 1.488,55 12.67,56 0.782,57 2.37,59 6.164,60 3.232,61 34.25,62 4.051,63 48,64 12.486,65 7.198,66 4.694,67 2.589,68 -0.982,69 14.113,70 5.7}
{0 CHEMBL1970317,1 19.675,2 25.279,3 4.534,4 2.67,5 2.239,6 22.432,7 1.704,8 1.704,9 250.887,10 4.651,11 4.651,12 218.874,13 1.691,14 129.706,15 10.944,16 3.224,17 2.772,18 3.465,19 2.089,20 2.089,21 6.19,22 90.163,23 90.163,24 2.861,25 5.71,26 5.71,27 11.152,28 3.132,29 223.055,30 536.013,31 32.526,32 3.039,33 9.212,34 2.924,35 3.018,36 5,37 18.358,38 3.131,39 3.036,40 4.232,41 1.278,42 1.187,43 4.903,44 1.974,45 37.404,46 2.94,47 4.388,48 38.08,49 2.755,50 1.413,51 1.35,52 28354,53 2.927,54 2.302,55 39.743,56 1.196,57 2.775,58 0.308,59 9.634,60 3.698,61 57.758,62 4.136,63 156,64 21.407,65 12.339,66 5.197,67 3.251,68 0.697,69 22.949,70 7.1}
{0 CHEMBL1970340,1 5.319,2 3.663,3 2.549,4 0.612,5 0.71,6 11.828,7 -0.362,8 -0.362,9 118.7,10 -0.833,11 -0.833,12 100.45,13 0.678,14 65.672,15 5.188,16 2.572,17 1.648,18 2.6,19 1.112,20 1.112,21 2.682,22 43.057,23 43.057,24 2.085,25 2.561,26 2.561,27 4.171,28 1.023,29 114.38,30 270.847,31 10.091,32 2.277,33 4.47,34 2.182,35 2.27,36 2,37 8.921,38 2.48,39 2.101,40 3.462,41 0.828,42 0.701,43 3.479,44 1.098,45 18.966,46 2.226,47 2.275,48 16.165,49 1.854,50 -0.356,51 0.801,52 3888,53 2.23,54 1.45,55 8.339,56 0.472,57 1.771,59 5.28,60 3.033,61 29.995,62 4.027,63 36,64 10.173,65 6.383,66 4.543,67 2.146,68 -1.682,69 11.828,70 5.7}
{0 CHEMBL1970522,1 14.539,2 15.157,3 3.247,4 2,5 1.545,6 16.587,7 1,8 1,9 169.63,10 2.136,11 2.136,12 156.095,13 1.136,14 91.11,15 7.688,16 2.925,17 1.927,18 2.814,19 1.387,20 1.387,21 4.049,22 63.205,23 63.205,24 2.687,25 3.514,26 3.514,27 7.26,28 2.5,29 162.022,30 387.093,31 19.781,32 2.784,33 5.799,34 2.764,35 2.837,36 2,37 13.132,38 2.854,39 2.36,40 3.83,41 1.098,42 1.015,43 4.127,44 1.339,45 26.591,46 2.735,47 3.003,48 22.287,49 2.595,50 1,51 1.094,52 10306,53 2.715,54 1.719,55 19.985,56 0.87,57 2.618,58 0.159,59 6.599,60 3.353,61 37.912,62 3.908,63 78,64 15.654,65 8.169,66 4.771,67 2.754,68 -0.431,69 16.234,70 5.7}
{0 CHEMBL1970709,1 13.592,2 17.987,3 3.195,4 1.624,5 1.131,6 15.656,7 0.691,8 0.691,9 160.002,10 1.598,11 1.598,12 183.134,13 1,14 84.964,15 7.223,16 2.925,17 1.628,18 2.588,19 1.103,20 1.103,21 3.593,22 58.265,23 58.265,24 2.687,25 2.455,26 2.455,27 5.039,28 1.965,29 152.143,30 362.99,31 14.723,32 2.759,33 5.056,34 2.541,35 2.625,36 3,37 12.645,38 2.854,39 2.067,40 3.833,41 1.073,42 0.913,43 3.451,44 1.06,45 24.637,46 2.735,47 3.014,48 17.849,49 2.322,50 0.655,51 1.094,52 8801,53 2.715,54 1.693,55 16.186,56 0.854,57 2.37,58 0.029,59 5.817,60 3.252,61 34.327,62 3.987,63 73,64 14.108,65 7.337,66 4.691,67 2.5,68 -0.902,69 14.656,70 5.7}
{0 CHEMBL1970806,1 15.889,2 20.315,3 3.615,4 2.002,5 1.407,6 15.742,7 1.044,8 1.044,9 203.617,10 2.62,11 2.62,12 172.967,13 1.318,14 86.049,15 8.464,16 2.869,17 1.876,18 2.795,19 1.474,20 1.474,21 5.542,22 62.402,23 62.402,24 2.604,25 3.949,26 3.949,27 5.045,28 2.476,29 152.96,30 364.983,31 15.084,32 2.668,33 8.383,34 2.707,35 2.786,36 1,37 13.06,38 2.796,39 2.421,40 4.014,41 1.008,42 1.005,43 4.358,44 1.379,45 26.176,46 2.64,47 3.5,48 19.566,49 2.509,50 1.033,51 1.043,52 8572,53 2.641,54 1.931,55 16.628,56 0.831,57 2.498,58 0.031,59 5.703,60 3.387,61 42.617,62 4.057,63 71,64 13.381,65 9.528,66 4.875,67 2.5,68 -0.612,69 15.389,70 5.7}
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{0 CHEMBL1971141,1 16.973,2 24.07,3 3.479,4 2.134,5 1.383,6 18.518,7 1.13,8 1.13,9 157.818,10 2.585,11 2.585,12 141.729,13 1.182,14 101.249,15 8.161,16 3.008,17 2.251,18 3.069,19 1.591,20 1.591,21 3.899,22 67.429,23 67.429,24 2.687,25 4.145,26 4.145,27 7.733,28 2.625,29 186.203,30 446.096,31 21.959,32 2.835,33 5.611,34 2.854,35 2.925,36 7,37 14.322,38 2.946,39 2.6,40 3.816,41 1.181,42 1.107,43 4.355,44 1.598,45 31.017,46 2.826,47 3.435,48 28.107,49 2.715,50 1.116,51 1.134,52 14280,53 2.822,54 2.085,55 26.497,56 0.942,57 2.735,58 0.238,59 7.798,60 3.487,61 42.569,62 3.97,63 92,64 17.711,65 8.773,66 4.894,67 2.66,68 -0.132,69 18.518,70 5.7}
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{0 CHEMBL1971245,1 24.418,2 40.887,3 4.234,4 2.468,5 1.725,6 22.079,7 1.484,8 1.484,9 226.507,10 3.817,11 3.817,12 192.256,13 1.461,14 122.951,15 10.492,16 3.206,17 2.357,18 3.267,19 1.978,20 1.978,21 5.632,22 87.131,23 87.131,24 2.904,25 5.784,26 5.784,27 10.243,28 2.957,29 220.577,30 529.967,31 32.107,32 3.012,33 8.984,34 3.111,35 3.2,36 2,37 17.771,38 3.124,39 2.92,40 4.157,41 1.513,42 1.287,43 4.969,44 1.857,45 37.591,46 2.941,47 4.014,48 35.713,49 2.893,50 1.469,51 1.429,52 22079,53 2.91,54 2.3,55 30.695,56 1.153,57 2.873,58 0.486,59 9.062,60 3.648,61 55.826,62 3.995,63 154,64 20.583,65 11.973,66 5.133,67 3.003,68 0.516,69 22.079,70 6.3}
{0 CHEMBL1971430,1 18.954,2 20.542,3 3.747,4 2.41,5 1.805,6 22.501,7 1.414,8 1.414,9 205.845,10 3.036,11 3.036,12 176.984,13 1.612,14 127.827,15 10.645,16 3.217,17 2.349,18 3.242,19 1.842,20 1.842,21 5.414,22 84.873,23 84.873,24 2.912,25 5.139,26 5.139,27 11.601,28 2.821,29 233.437,30 561.346,31 32.653,32 2.991,33 7.89,34 3.093,35 3.169,36 5,37 18.324,38 3.12,39 2.806,40 4.131,41 1.418,42 1.32,43 4.777,44 1.768,45 39.858,46 2.938,47 3.582,48 35.094,49 2.888,50 1.435,51 1.396,52 20372,53 2.924,54 2.197,55 34.531,56 1.113,57 2.887,58 0.55,59 8.742,60 3.727,61 53.734,62 3.963,63 154,64 21.79,65 11.517,66 5.097,67 3.078,68 0.879,69 22.501,70 5.7}
{0 CHEMBL1971649,1 17.267,2 22.095,3 4.109,4 2.362,5 1.801,6 19.51,7 1.388,8 1.388,9 195.159,10 3.604,11 3.604,12 168.787,13 1.527,14 108.978,15 8.949,16 3.184,17 2.559,18 3.268,19 1.842,20 1.842,21 4.504,22 76.29,23 76.29,24 2.785,25 5.223,26 5.223,27 8.106,28 2.821,29 196.266,30 470.648,31 23.186,32 2.977,33 6.887,34 2.897,35 2.968,36 4,37 15.609,38 3.089,39 2.808,40 4.061,41 1.281,42 1.107,43 4.782,44 1.774,45 32.75,46 2.881,47 3.639,48 33.405,49 2.752,50 1.322,51 1.326,52 19677,53 2.895,54 2.108,55 29.534,56 1.028,57 2.752,58 0.218,59 8.874,60 3.546,61 49.475,62 4.012,63 105,64 18.851,65 10.752,66 5.042,67 3.061,68 0.287,69 20.38,70 5.7}
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{0 CHEMBL1973211,1 27.434,2 33.376,3 4.505,4 2.663,5 2.136,6 24.554,7 1.689,8 1.689,9 250.367,10 4.594,11 4.594,12 219.655,13 1.741,14 145.456,15 12.566,16 3.314,17 2.656,18 3.465,19 2.089,20 2.089,21 7.092,22 94.563,23 94.563,24 2.983,25 5.71,26 5.71,27 12.106,28 3.177,29 253.432,30 610.133,31 33.628,32 3.291,33 9.133,34 3.144,35 3.222,36 7,37 20.414,38 3.253,39 3.055,40 4.235,41 1.478,42 1.41,43 4.903,44 2.014,45 43.506,46 3.111,47 4.192,48 36.06,49 2.968,50 1.842,51 1.48,52 30778,53 3.093,54 2.351,55 50.743,56 1.277,57 2.985,58 0.612,59 9.061,60 3.844,61 58.988,62 4.127,63 177,64 23.505,65 12.753,66 5.228,67 3.368,68 0.955,69 24.2,70 6.6}
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{0 CHEMBL1974664,1 12.326,2 10.44,3 3.606,4 2.266,5 1.519,6 17.933,7 1.3,8 1.3,9 181.11,10 2.904,11 2.904,12 152.472,13 1.28,14 101.44,15 8.024,16 3.228,17 2.057,18 2.919,19 1.604,20 1.604,21 4.081,22 69.522,23 69.522,24 2.807,25 4.124,26 4.124,27 6.558,28 2.795,29 176.141,30 421.545,31 20.896,32 2.995,33 6.94,34 2.92,35 2.98,36 3,37 14.354,38 3.139,39 2.521,40 3.949,41 1.284,42 1.104,43 4.366,44 1.461,45 29.506,46 2.878,47 3.489,48 27.237,49 2.782,50 1.207,51 1.338,52 13799,53 2.891,54 1.851,55 21.775,56 1.086,57 2.788,58 0.299,59 8.032,60 3.414,61 44.5,62 4.095,63 98,64 16.517,65 9.845,66 4.936,67 2.833,68 -0.048,69 17.933,70 5.7}
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{0 CHEMBL1976134,3 3.072,4 1.442,5 1,6 11.949,7 0.478,8 0.478,9 130.41,10 1.152,11 1.152,12 108.605,13 0.965,14 69.842,15 5.771,16 2.507,17 1.657,18 2.605,19 1.113,20 1.113,21 3.169,22 40.084,23 40.084,24 2.121,25 2.467,26 2.467,27 4.187,28 1.963,29 119.248,30 282.724,31 10.774,32 2.314,33 4.743,34 2.308,35 2.417,36 3,37 9.513,38 2.432,39 2.069,40 3.443,41 0.914,42 0.77,43 3.458,44 1.061,45 20.307,46 2.276,47 3,48 16.168,49 2.09,50 0.347,51 0.908,52 4687,53 2.273,54 1.501,55 10.173,56 0.641,57 2.087,59 5.601,60 3.121,61 31.864,62 4.055,63 36,64 9.715,65 7.327,66 4.673,67 2.5,68 -1.596,69 11.949,70 5.7}
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{0 CHEMBL1976240,1 12.88,2 17.698,3 3.469,4 2,5 1.2,6 18.355,7 1,8 1,9 158.842,10 2.407,11 2.407,12 139.228,13 1.099,14 101.21,15 8.363,16 2.957,17 1.85,18 2.763,19 1.339,20 1.339,21 4.198,22 69.833,23 69.833,24 2.687,25 3.077,26 3.077,27 9.854,28 2.5,29 189.131,30 453.239,31 27.23,32 2.723,33 5.817,34 2.854,35 2.925,36 4,37 14.554,38 2.878,39 2.32,40 3.862,41 1.181,42 1.107,43 3.912,44 1.306,45 31.779,46 2.735,47 3.414,48 26.955,49 2.715,50 1,51 1.107,52 13288,53 2.715,54 1.857,55 25.207,56 0.886,57 2.735,58 0.218,59 7.536,60 3.498,61 42.18,62 3.951,63 100,64 17.962,65 9.204,66 4.856,67 2.564,68 -0.29,69 18.355,70 5.7}
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{0 CHEMBL1977619,1 2.278,2 1.651,3 3,4 1.404,5 0.618,6 12.182,7 0.446,8 0.446,9 139.883,10 1.187,11 1.187,12 125.288,13 0.508,14 63.689,15 5.755,16 2.439,17 1.446,18 2.468,19 1,20 1,21 3.244,22 45.579,23 45.579,24 2.132,25 2.287,26 2.287,27 3.65,28 1.946,29 113.121,30 267.774,31 6.075,32 2.204,33 4.373,34 2.189,35 2.247,36 2,37 9.386,38 2.348,39 1.954,40 3.522,41 0.458,42 0.258,43 3.43,44 0.943,45 18.097,46 2.157,47 2.64,48 15.129,49 2.002,50 0.386,51 0.524,52 4233,53 2.14,54 1.302,55 8.844,56 0.164,57 1.994,59 4.914,60 3.005,61 29.17,62 4.009,63 33,64 10.416,65 6.396,66 4.562,67 2.118,68 -1.612,69 11.828,70 4.7}
{0 CHEMBL1977681,1 5.985,2 3.854,3 3.08,4 1.185,5 1.093,6 12.889,7 0.262,8 0.262,9 158.559,10 0.68,11 0.68,12 139.054,13 0.904,14 73.567,15 6.47,16 2.797,17 1.735,18 2.674,19 1.206,20 1.206,21 3.873,22 54.802,23 54.802,24 2.565,25 2.959,26 2.959,27 5.103,28 1.71,29 129.507,30 307.757,31 12.97,32 2.604,33 5.094,34 2.373,35 2.403,36 1,37 10.845,38 2.734,39 2.143,40 3.787,41 0.896,42 0.799,43 3.788,44 1.11,45 21.102,46 2.413,47 2.49,48 16.639,49 2.272,50 0.423,51 0.913,52 5772,53 2.443,54 1.353,55 12.925,56 0.67,57 2.372,59 5.197,60 3.156,61 33.812,62 4.092,63 54,64 12.302,65 7.383,66 4.642,67 2.426,68 -1.166,69 13.405,70 5.7}
{0 CHEMBL1978014,1 25.777,2 38.364,3 4.219,4 2.437,5 1.925,6 21.372,7 1.441,8 1.441,9 221.395,10 3.611,11 3.611,12 185.425,13 1.608,14 124.203,15 10.537,16 3.206,17 2.392,18 3.254,19 1.93,20 1.93,21 6.007,22 85.422,23 85.422,24 2.866,25 5.772,26 5.772,27 8.96,28 2.861,29 216.71,30 520.532,31 31.505,32 2.937,33 8.231,34 3.076,35 3.159,36 2,37 17.478,38 3.111,39 2.883,40 4.115,41 1.472,42 1.422,43 5.011,44 1.834,45 37.347,46 2.941,47 3.91,48 31.042,49 2.91,50 1.48,51 1.429,52 20726,53 2.921,54 2.181,55 36.959,56 1.198,57 2.928,58 0.504,59 7.891,60 3.666,61 54.429,62 4.036,63 144,64 19.921,65 12.04,66 5.107,67 2.987,68 0.687,69 21.372,70 5.7}
{0 CHEMBL1978099,1 30.639,2 45.182,3 4.168,4 2.338,5 2.064,6 22.683,7 1.423,8 1.423,9 251.203,10 3.758,11 3.758,12 221.621,13 1.758,14 117.971,15 10.836,16 3.254,17 2.686,18 3.42,19 2.079,20 2.079,21 5.314,22 101.393,23 101.393,24 2.827,25 5.729,26 5.729,27 9.208,28 2.827,29 220.243,30 529.153,31 31.997,32 3.016,33 6.957,34 2.99,35 3.072,36 6,37 18.033,38 3.174,39 3.034,40 4.22,41 1.277,42 1.188,43 4.929,44 1.969,45 35.529,46 2.913,47 4.033,48 38.076,49 2.768,50 1.408,51 1.45,52 27894,53 2.922,54 2.304,55 39.637,56 1.137,57 2.762,58 0.515,59 9.104,60 3.594,61 52.172,62 4.067,63 180,64 23.57,65 10.922,66 5.091,67 3.264,68 0.546,69 23.303,70 6.6}
{0 CHEMBL1978200,1 16.821,2 21.151,3 4.169,4 2.375,5 1.905,6 20.433,7 1.436,8 1.436,9 219.691,10 3.572,11 3.572,12 190.669,13 1.544,14 113.817,15 9.816,16 3.232,17 2.444,18 3.192,19 1.812,20 1.812,21 4.823,22 89.855,23 89.855,24 2.868,25 5.322,26 5.322,27 8.639,28 2.89,29 210.113,30 504.435,31 26.62,32 3,33 7.352,34 2.904,35 3.009,36 1,37 17.395,38 3.158,39 2.751,40 4.156,41 1.417,42 1.308,43 4.941,44 1.696,45 35.216,46 3.004,47 4.039,48 33.822,49 2.735,50 1.414,51 1.314,52 20058,53 2.992,54 2.206,55 31.453,56 1.103,57 2.733,58 0.469,59 8.078,60 3.59,61 53.427,62 4.015,63 136,64 21.14,65 10.966,66 5.091,67 3.116,68 0.235,69 22.173,70 5.7}
{0 CHEMBL1978267,1 31.934,2 52.625,3 4.93,4 2.909,5 2.286,6 31.106,7 1.949,8 1.949,9 336.647,10 5.394,11 5.394,12 291.556,13 1.895,14 179.12,15 15.582,16 3.536,17 2.896,18 3.631,19 2.366,20 2.366,21 8.431,22 123.569,23 123.569,24 3.27,25 7.249,26 7.249,27 16.112,28 3.303,29 311.796,30 752.542,31 44.961,32 3.389,33 12.822,34 3.325,35 3.36,36 1,37 25.791,38 3.45,39 3.313,40 4.525,41 1.586,42 1.477,43 5.495,44 2.216,45 53.739,46 3.258,47 4.547,48 56.853,49 3.139,50 2.096,51 1.661,52 55672,53 3.253,54 2.452,55 62.51,56 1.434,57 3.111,58 0.78,59 12.732,60 4.033,61 78.291,62 4.07,63 277,64 29.414,65 17.128,66 5.482,67 3.397,68 1.323,69 30.752,70 5.5}
{0 CHEMBL1978448,1 23.193,2 34.46,3 3.653,4 1.826,5 1.515,6 16.44,7 0.845,8 0.845,9 216.101,10 2.062,11 2.062,12 179.277,13 1.051,14 86.96,15 9.37,16 2.912,17 1.934,18 2.811,19 1.342,20 1.342,21 5.26,22 69.88,23 69.88,24 2.419,25 3.301,26 3.301,27 10.089,28 2.277,29 160.612,30 383.654,31 28.939,32 2.719,33 6.456,34 2.681,35 2.757,37 13.507,38 2.848,39 2.339,40 3.965,41 1.269,42 1.092,43 4.185,44 1.335,45 27.358,46 2.728,47 3.391,48 21.636,49 2.386,50 0.847,51 1.237,52 9077,53 2.719,54 2.118,55 15.618,56 0.994,57 2.412,58 0.473,59 5.58,60 3.412,61 41.52,62 4.031,63 55,64 14.79,65 8.339,66 4.866,67 2.339,68 -0.602,69 16.19,70 5.7}
{0 CHEMBL1979057,1 17.232,2 27.874,3 4.031,4 2.345,5 1.532,6 17.51,7 1.358,8 1.358,9 186.181,10 3.225,11 3.225,12 156.263,13 1.474,14 100.096,15 8.501,16 2.978,17 2.298,18 3.032,19 1.544,20 1.544,21 4.694,22 62.239,23 62.239,24 2.696,25 4.312,26 4.312,27 7.306,28 2.832,29 174.215,30 416.844,31 18.968,32 2.792,33 7.321,34 2.854,35 2.925,36 5,37 13.913,38 2.912,39 2.533,40 3.895,41 1.181,42 1.107,43 4.414,44 1.525,45 30.046,46 2.777,47 3.603,48 26.842,49 2.715,50 1.327,51 1.161,52 13734,53 2.77,54 1.902,55 22.769,56 0.958,57 2.735,58 0.218,59 7.863,60 3.5,61 46.372,62 4.019,63 82,64 15.175,65 10.363,66 4.994,67 2.922,68 0.148,69 17.51,70 5.7}
{0 CHEMBL1979093,1 21.901,2 28.768,3 4.371,4 2.392,5 1.782,6 20.38,7 1.414,8 1.414,9 209.288,10 3.805,11 3.805,12 179.544,13 1.469,14 112.132,15 9.125,16 3.222,17 2.488,18 3.263,19 1.818,20 1.818,21 4.702,22 83.548,23 83.548,24 2.832,25 4.95,26 4.95,27 8.676,28 2.82,29 200.391,30 480.714,31 24.587,32 2.952,33 7.228,34 2.949,35 3.013,36 6,37 16.323,38 3.141,39 2.814,40 4.113,41 1.351,42 1.156,43 4.651,44 1.795,45 33.415,46 2.937,47 4.04,48 34.28,49 2.769,50 1.531,51 1.412,52 22037,53 2.942,54 2.192,55 31.427,56 1.133,57 2.771,58 0.294,59 8.919,60 3.551,61 52.041,62 4.033,63 130,64 20.043,65 11.277,66 5.066,67 2.955,68 0.572,69 21.25,70 5.7}
{0 CHEMBL1979176,1 20.491,2 29.053,3 3.49,4 2.052,5 1.558,6 16.234,7 1.112,8 1.112,9 179.122,10 2.539,11 2.539,12 165.881,13 1.369,14 87.006,15 7.406,16 3.034,17 2.215,18 2.993,19 1.531,20 1.531,21 3.527,22 73.783,23 73.783,24 2.677,25 4.24,26 4.24,27 5.791,28 2.57,29 164.078,30 392.11,31 18.641,32 2.856,33 5.354,34 2.804,35 2.865,36 3,37 13.464,38 2.967,39 2.494,40 3.932,41 1.11,42 1.019,43 4.434,44 1.471,45 26.313,46 2.805,47 3.392,48 29.696,49 2.647,50 1.094,51 1.152,52 15815,53 2.807,54 1.974,55 21.633,56 0.94,57 2.641,58 0.108,59 7.667,60 3.295,61 42.813,62 3.995,63 100,64 17.962,65 8.931,66 4.892,67 2.872,68 0.234,69 18.734,70 5.7}
{0 CHEMBL1979252,1 20.099,2 31.28,3 3.502,4 2.095,5 1.583,6 15.527,7 1.116,8 1.116,9 175.205,10 2.557,11 2.557,12 158.387,13 1.241,14 87.647,15 7.264,16 2.925,17 1.963,18 2.886,19 1.479,20 1.479,21 3.584,22 68.734,23 68.734,24 2.577,25 4.365,26 4.365,27 6.086,28 2.571,29 157.283,30 375.532,31 15.019,32 2.687,33 4.654,34 2.702,35 2.775,36 2,37 12.724,38 2.854,39 2.459,40 3.842,41 0.994,42 0.931,43 4.503,44 1.419,45 25.307,46 2.615,47 3.265,48 26.915,49 2.482,50 1.152,51 1.086,52 14546,53 2.661,54 1.629,55 21.267,56 0.784,57 2.461,58 0.017,59 7.05,60 3.292,61 41.933,62 3.902,63 86,64 17.032,65 8.976,66 4.868,67 2.767,68 -0.083,69 18.027,70 5.7}
{0 CHEMBL1979357,1 11.192,2 16.54,3 3.584,4 2.148,5 1.396,6 18.64,7 1.181,8 1.181,9 174.495,10 2.75,11 2.75,12 147.551,13 1.308,14 110.977,15 9.031,16 3.129,17 2.159,18 2.977,19 1.504,20 1.504,21 4.896,22 64.971,23 64.971,24 2.687,25 3.305,26 3.305,27 10.559,28 2.661,29 196.797,30 471.944,31 27.441,32 2.871,33 6.997,34 2.854,35 2.925,36 3,37 15.286,38 3.042,39 2.448,40 3.901,41 1.339,42 1.107,43 4.092,44 1.418,45 33.875,46 2.862,47 3.498,48 27.741,49 2.715,50 1.138,51 1.301,52 13293,53 2.852,54 1.851,55 24.513,56 1.064,57 2.735,58 0.414,59 7.796,60 3.586,61 45.955,62 4.077,63 112,64 17.354,65 9.958,66 4.966,67 2.771,68 -0.402,69 18.64,70 5.7}
{0 CHEMBL1979516,1 22.451,2 28.471,3 4.416,4 2.503,5 2.143,6 22.148,7 1.535,8 1.535,9 234.271,10 4.101,11 4.101,12 207.339,13 1.662,14 124.211,15 10.718,16 3.266,17 2.616,18 3.33,19 1.92,20 1.92,21 5.756,22 92.333,23 92.333,24 2.883,25 5.404,26 5.404,27 10.792,28 2.951,29 220.985,30 530.963,31 29.832,32 3.102,33 8.447,34 2.912,35 2.97,36 6,37 17.924,38 3.195,39 2.823,40 4.226,41 1.235,42 1.148,43 4.9,44 1.717,45 36.614,46 2.99,47 4.002,48 36.149,49 2.748,50 1.51,51 1.301,52 26109,53 2.986,54 2.25,55 38.219,56 1.041,57 2.752,58 0.241,59 8.948,60 3.665,61 54.609,62 4.124,63 146,64 22.028,65 11.473,66 5.121,67 3.153,68 0.629,69 22.665,70 7.5}
{0 CHEMBL1979554,1 17.502,2 25.951,3 4.173,4 2.349,5 1.987,6 19.259,7 1.414,8 1.414,9 204.445,10 3.722,11 3.722,12 184.129,13 1.457,14 103.455,15 8.496,16 2.922,17 2.107,18 3.034,19 1.534,20 1.534,21 4.678,22 69.343,23 69.343,24 2.841,25 4.45,26 4.45,27 6.231,28 2.817,29 176.42,30 422.226,31 17.131,32 2.856,33 6.312,34 2.705,35 2.745,36 4,37 14.78,38 2.879,39 2.518,40 4.046,41 1.098,42 1.01,43 4.804,44 1.507,45 28.455,46 2.797,47 3.456,48 25.922,49 2.512,50 1.368,51 1.06,52 15644,53 2.769,54 1.818,55 22.112,56 0.868,57 2.508,58 0.168,59 7.285,60 3.423,61 45.865,62 3.997,63 100,64 17.095,65 10.214,66 4.963,67 2.873,68 0.255,69 18.259,70 5.7}
{0 CHEMBL1979577,1 23.654,2 31.4,3 4.504,4 2.649,5 2.136,6 23.941,7 1.68,8 1.68,9 234.702,10 4.59,11 4.59,12 208.934,13 1.741,14 136.903,15 11.303,16 3.227,17 2.772,18 3.465,19 2.089,20 2.089,21 5.887,22 89.845,23 89.845,24 2.962,25 5.71,26 5.71,27 10.899,28 3.151,29 241.64,30 581.362,31 30.091,32 3.097,33 8.672,34 3.142,35 3.217,36 9,37 19.508,38 3.15,39 3.053,40 4.202,41 1.417,42 1.308,43 4.903,44 2.01,45 40.745,46 3,47 4.187,48 35.47,49 2.967,50 1.24,51 1.394,52 25792,53 2.98,54 2.408,55 42.081,56 1.143,57 2.975,58 0.469,59 8.663,60 3.771,61 55.64,62 4.128,63 156,64 22.942,65 11.356,66 5.19,67 3.294,68 0.625,69 23.587,70 6.3}
{0 CHEMBL1979718,1 17.353,2 24.385,3 3.574,4 2.014,5 1.541,6 18.096,7 1.048,8 1.048,9 179.484,10 2.488,11 2.488,12 152.067,13 1.346,14 102.598,15 8.438,16 3.139,17 2.049,18 2.886,19 1.445,20 1.445,21 4.725,22 68.375,23 68.375,24 2.687,25 3.532,26 3.532,27 10.09,28 2.531,29 181.737,30 435.199,31 25.78,32 2.795,33 6.364,34 2.854,35 2.925,36 3,37 14.653,38 3.041,39 2.442,40 3.88,41 1.392,42 1.131,43 4.11,44 1.44,45 30.813,46 2.865,47 3.346,48 26.192,49 2.715,50 1.042,51 1.386,52 12755,53 2.835,54 2.012,55 25.71,56 1.091,57 2.735,58 0.332,59 7.514,60 3.479,61 44.572,62 4.088,63 92,64 16.553,65 10.04,66 4.951,67 2.835,68 -0.009,69 18.096,70 5.7}
{0 CHEMBL1979855,1 26.894,2 34.309,3 4.26,4 2.578,5 2.135,6 25.001,7 1.614,8 1.614,9 230.977,10 3.931,11 3.931,12 199.974,13 1.618,14 133.542,15 11.18,16 3.376,17 2.548,18 3.446,19 1.866,20 1.866,21 5.438,22 93.672,23 93.672,24 3.11,25 5.281,26 5.281,27 10.168,28 3.118,29 247.965,30 596.794,31 31.934,32 3.248,33 8.438,34 3.156,35 3.184,36 7,37 19.793,38 3.327,39 2.862,40 4.221,41 1.417,42 1.322,43 4.805,44 1.849,45 41.557,46 3.092,47 4.117,48 41.527,49 2.99,50 1.785,51 1.38,52 27913,53 3.126,54 2.313,55 38.583,56 1.168,57 2.962,58 0.469,59 9.581,60 3.762,61 58.739,62 4.045,63 190,64 24.16,65 12.286,66 5.239,67 3.305,68 1.024,69 25.001,70 5.7}
{0 CHEMBL1979883,1 24.272,2 29.841,3 4.503,4 2.653,5 2.136,6 23.725,7 1.683,8 1.683,9 231.701,10 4.589,11 4.589,12 204.989,13 1.741,14 137.916,15 11.328,16 3.292,17 2.614,18 3.453,19 2.089,20 2.089,21 5.986,22 89.845,23 89.845,24 2.97,25 5.192,26 5.192,27 10.914,28 3.12,29 241.64,30 581.362,31 30.246,32 3.169,33 8.59,34 3.144,35 3.222,36 7,37 19.585,38 3.219,39 3.049,40 4.194,41 1.417,42 1.336,43 4.729,44 1.984,45 40.745,46 3.053,47 4.186,48 35.915,49 2.968,50 1.724,51 1.417,52 26112,53 3.041,54 2.189,55 43.826,56 1.182,57 2.984,58 0.515,59 9.138,60 3.76,61 55.369,62 4.127,63 161,64 22.942,65 11.447,66 5.168,67 3.206,68 0.658,69 23.372,70 6.5}
{0 CHEMBL1979970,1 10.255,2 11.42,3 3.288,4 2.012,5 1.353,6 14.656,7 1.013,8 1.013,9 161.807,10 1.856,11 1.856,12 138.924,13 1.167,14 78.801,15 7.059,16 2.891,17 2.023,18 2.863,19 1.414,20 1.414,21 3.286,22 65.799,23 65.799,24 2.615,25 3.281,26 3.281,27 4.293,28 2.182,29 149.42,30 356.346,31 14.105,32 2.746,33 4.872,34 2.703,35 2.783,36 3,37 12.229,38 2.809,39 2.382,40 3.871,41 0.996,42 0.934,43 4.089,44 1.355,45 24.165,46 2.555,47 3.05,48 22.647,49 2.5,50 0.913,51 1.042,52 9998,53 2.584,54 1.733,55 18.609,56 0.829,57 2.473,58 0.028,59 6.184,60 3.23,61 39.139,62 3.961,63 87,64 15.354,65 8.464,66 4.779,67 2.66,68 -0.6,69 16.397,70 5.7}
{0 CHEMBL1980142,1 20.633,2 28.555,3 4.078,4 2.279,5 1.618,6 15.527,7 1.296,8 1.296,9 205.064,10 3.523,11 3.523,12 194.352,13 1.375,14 86.145,15 7.627,16 2.938,17 2.427,18 3.118,19 1.618,20 1.618,21 3.606,22 73.205,23 73.205,24 2.603,25 4.292,26 4.292,27 6.228,28 2.775,29 163.676,30 391.13,31 12.645,32 2.787,33 5.176,34 2.681,35 2.732,36 3,37 13.689,38 2.856,39 2.586,40 4.082,41 0.971,42 0.873,43 4.473,44 1.562,45 25.671,46 2.608,47 3.49,48 34.184,49 2.545,50 1.189,51 1.034,52 20688,53 2.632,54 2.034,55 23.464,56 0.75,57 2.541,58 0.053,59 7.878,60 3.292,61 46.875,62 4.011,63 90,64 19.753,65 9.398,66 4.978,67 2.876,68 0.51,69 20.527,70 5.7}
{0 CHEMBL1980144,1 22.999,2 30.732,3 4.078,4 2.395,5 1.757,6 21.441,7 1.414,8 1.414,9 219.022,10 3.517,11 3.517,12 196.174,13 1.414,14 117.735,15 9.917,16 3.182,17 2.524,18 3.293,19 1.901,20 1.901,21 5.324,22 83.271,23 83.271,24 2.867,25 5.295,26 5.295,27 9.279,28 2.874,29 207.396,30 497.807,31 27.31,32 2.965,33 7.991,34 2.973,35 3.077,36 1,37 16.787,38 3.127,39 2.846,40 4.114,41 1.181,42 1.166,43 4.766,44 1.713,45 34.159,46 2.97,47 3.756,48 33.66,49 2.75,50 1.472,51 1.285,52 22568,53 2.944,54 2.167,55 32.267,56 1.013,57 2.749,58 0.22,59 8.871,60 3.59,61 51.084,62 4.046,63 124,64 20.106,65 10.933,66 5.072,67 2.939,68 0.574,69 21.087,70 5.7}
{0 CHEMBL1980163,1 17.031,2 26.812,3 3.414,4 2,5 1.275,6 16.899,7 1,8 1,9 159.483,10 2.275,11 2.275,12 139.149,13 1.225,14 98.708,15 8.119,16 2.925,17 2.085,18 2.916,19 1.493,20 1.493,21 3.908,22 59.997,23 59.997,24 2.687,25 3.149,26 3.149,27 6.906,28 2.5,29 174.814,30 418.306,31 18.296,32 2.718,33 6.357,34 2.854,35 2.925,37 13.593,38 2.854,39 2.484,40 3.789,41 1.181,42 1.107,43 3.639,44 1.478,45 29.801,46 2.735,47 3.35,48 25.518,49 2.715,50 1,51 1.107,52 12604,53 2.715,54 1.819,55 24.365,56 0.886,57 2.735,58 0.218,59 7.936,60 3.465,61 41.19,62 3.975,63 99,64 15.462,65 9.034,66 4.881,67 2.768,68 -0.452,69 16.899,70 5.7}
{0 CHEMBL1980297,1 20.566,2 25.279,3 4.55,4 2.686,5 2.261,6 23.847,7 1.717,8 1.717,9 261.439,10 4.675,11 4.675,12 228.646,13 1.696,14 135.998,15 11.629,16 3.306,17 2.773,18 3.465,19 2.09,20 2.09,21 6.447,22 99.367,23 99.367,24 2.971,25 5.71,26 5.71,27 11.977,28 3.138,29 236.643,30 569.169,31 35.088,32 3.228,33 9.56,34 3.01,35 3.096,36 6,37 19.22,38 3.254,39 3.042,40 4.289,41 1.279,42 1.347,43 4.942,44 1.983,45 39.62,46 3.092,47 4.424,48 40.28,49 2.825,50 1.609,51 1.353,52 33887,53 3.082,54 2.323,55 46.766,56 1.197,57 2.844,58 0.308,59 9.932,60 3.747,61 60.467,62 4.136,63 187,64 23.27,65 12.882,66 5.23,67 3.267,68 0.849,69 24.363,70 7.4}
{0 CHEMBL1980391,1 22.242,2 35.694,3 3.83,4 2.237,5 1.66,6 17.181,7 1.28,8 1.28,9 195.406,10 2.991,11 2.991,12 167.833,13 1.27,14 94.81,15 7.995,16 2.998,17 2.09,18 2.933,19 1.551,20 1.551,21 4.404,22 69.769,23 69.769,24 2.755,25 4.289,26 4.289,27 7.641,28 2.709,29 168.217,30 402.209,31 19.287,32 2.929,33 6.903,34 2.879,35 2.922,36 4,37 14.279,38 2.912,39 2.487,40 4.147,41 1.104,42 1.061,43 4.454,44 1.447,45 27.841,46 2.796,47 3.596,48 26.271,49 2.696,50 1.225,51 1.105,52 10586,53 2.768,54 1.905,55 17.302,56 0.868,57 2.694,58 0.168,59 7.173,60 3.389,61 44.971,62 3.977,63 77,64 16.124,65 9.941,66 4.907,67 2.861,68 -0.182,69 17.552,70 7.6}
{0 CHEMBL1980489,1 17.245,2 26.297,3 3.29,4 1.984,5 1.284,6 16.027,7 1,8 1,9 153.487,10 2.136,11 2.136,12 138.889,13 1,14 86.478,15 7.014,16 2.925,17 1.74,18 2.768,19 1.279,20 1.279,21 3.495,22 59.199,23 59.199,24 2.687,25 2.971,26 2.971,27 5.302,28 2.5,29 152.429,30 363.688,31 13.899,32 2.687,33 5.004,34 2.684,35 2.727,36 3,37 12.224,38 2.854,39 2.26,40 3.722,41 0.99,42 0.836,43 3.604,44 1.241,45 24.591,46 2.615,47 3.247,48 21.297,49 2.488,50 1,51 1.086,52 9704,53 2.661,54 1.558,55 17.636,56 0.783,57 2.481,59 6.444,60 3.265,61 37.132,62 3.892,63 80,64 14.606,65 8.104,66 4.745,67 2.5,68 -0.642,69 15.527,70 5.7}
{0 CHEMBL1980540,1 17.779,2 25.042,3 3.49,4 2.067,5 1.618,6 16.027,7 1.123,8 1.123,9 185.623,10 2.542,11 2.542,12 174.855,13 1.302,14 84.976,15 7.377,16 2.827,17 2.037,18 2.895,19 1.523,20 1.523,21 3.556,22 69.551,23 69.551,24 2.559,25 3.817,26 3.817,27 5.329,28 2.572,29 158.822,30 379.286,31 14.213,32 2.735,33 5.42,34 2.66,35 2.715,36 2,37 13.189,38 2.761,39 2.451,40 4.027,41 0.918,42 0.857,43 4.313,44 1.387,45 24.955,46 2.582,47 3.441,48 27.906,49 2.542,50 1.189,51 0.95,52 14634,53 2.577,54 1.882,55 18.806,56 0.702,57 2.53,58 0.037,59 7.271,60 3.265,61 41.69,62 4.004,63 70,64 17.308,65 8.644,66 4.869,67 2.832,68 0.101,69 18.027,70 5.7}
{0 CHEMBL1980704,1 7.704,2 5.981,3 3.695,4 2.359,5 1.532,6 17.156,7 1.381,8 1.381,9 206.589,10 2.976,11 2.976,12 176.552,13 1.434,14 101.199,15 9.069,16 2.969,17 2.298,18 3.032,19 1.532,20 1.532,21 5.299,22 61.954,23 61.954,24 2.729,25 4.312,26 4.312,27 7.529,28 2.852,29 171.886,30 411.163,31 20.118,32 2.795,33 8.323,34 2.84,35 2.915,37 14.441,38 2.905,39 2.475,40 4.042,41 1.173,42 1.099,43 4.414,44 1.442,45 29.483,46 2.769,47 3.608,48 23.839,49 2.684,50 1.354,51 1.181,52 11414,53 2.765,54 2.027,55 19.085,56 0.946,57 2.692,58 0.248,59 7.156,60 3.486,61 45.127,62 4.092,63 79,64 14.793,65 10.056,66 4.978,67 2.957,68 -0.264,69 16.803,70 5.7}
{0 CHEMBL1980802,1 24.489,2 32.673,3 3.979,4 2.23,5 2.071,6 19.889,7 1.302,8 1.302,9 191.592,10 3.325,11 3.325,12 175.935,13 1.378,14 91.857,15 8.102,16 2.923,17 2.154,18 3.196,19 1.688,20 1.688,21 3.757,22 79.137,23 79.137,24 2.705,25 4.408,26 4.408,27 7.62,28 2.768,29 178.007,30 426.096,31 23.645,32 3.028,33 6.221,34 2.818,35 2.881,36 5,37 14.473,38 2.91,39 2.581,40 4.137,41 1.039,42 1.011,43 4.437,44 1.496,45 27.966,46 2.742,47 3.222,48 30.333,49 2.645,50 1.614,51 1.053,52 15109,53 2.738,54 1.88,55 15.081,56 0.828,57 2.622,58 0.1,59 7.431,60 3.32,61 44.364,62 3.852,63 71,64 19.298,65 9.573,66 4.913,67 2.837,68 0.412,69 19.389,70 5.7}
{0 CHEMBL1980896,1 16.823,2 19.516,3 4.257,4 2.26,5 1.94,6 21.527,7 1.381,8 1.381,9 250.378,10 3.556,11 3.556,12 285.3,13 1.441,14 118.155,15 10.33,16 2.969,17 2.433,18 3.19,19 1.782,20 1.782,21 6.189,22 78.736,23 78.736,24 2.96,25 5.065,26 5.065,27 10.169,28 2.851,29 203.393,30 488.04,31 35.31,32 3.226,33 9.133,34 2.875,35 2.925,36 5,37 17.606,38 2.904,39 2.71,40 4.349,41 1.164,42 1.072,43 4.812,44 1.588,45 32.904,46 2.791,47 3.545,48 26.575,49 2.715,50 1.298,51 1.107,52 19121,53 2.765,54 1.997,55 27,56 0.886,57 2.735,58 0.166,59 7.565,60 3.583,61 48.427,62 4.101,63 106,64 19.31,65 10.164,66 5.014,67 3.069,68 0.206,69 19.673,70 5.7}
{0 CHEMBL1980995,1 28.268,2 43.083,3 5.264,4 2.736,5 2.327,6 23.637,7 1.766,8 1.766,9 312.869,10 5.664,11 5.664,12 239.789,13 2.039,14 131.874,15 12.253,16 3.347,17 2.862,18 3.521,19 2.236,20 2.236,21 8.596,22 92.203,23 92.203,24 3.042,25 7.654,26 7.654,27 19.901,28 3.126,29 230.101,30 553.206,31 52.426,32 3.134,33 14.487,34 3.221,35 3.293,36 10,37 19.884,38 3.27,39 3.181,40 4.61,41 1.577,42 1.517,43 5.844,44 2.107,45 41.762,46 3.066,47 4.97,48 38.554,49 2.985,50 1.901,51 1.553,52 19467,53 3.067,54 2.39,55 25.211,56 1.293,57 2.985,58 0.67,59 8.525,60 3.832,61 71.374,62 4.286,63 104,64 20.312,65 15.926,66 5.357,67 3.408,68 1.149,69 23.637,70 7.4}
{0 CHEMBL1981045,1 41.719,2 59.321,3 4.99,4 3.041,5 2.545,6 31.175,7 2.069,8 2.069,9 305.737,10 5.885,11 5.885,12 263.123,13 2.136,14 171.392,15 15.015,16 3.477,17 2.838,18 3.533,19 2.307,20 2.307,21 7.877,22 124.638,23 124.638,24 3.217,25 6.657,26 6.657,27 19.519,28 3.317,29 312.442,30 754.12,31 51.02,32 3.317,33 11.579,34 3.299,35 3.337,36 5,37 25.123,38 3.425,39 3.239,40 4.565,41 1.649,42 1.53,43 5.258,44 2.186,45 54.142,46 3.259,47 4.465,48 52.157,49 3.113,50 2.305,51 1.635,52 66334,53 3.261,54 2.466,55 83.067,56 1.412,57 3.086,58 0.867,59 11.766,60 4.021,61 75.967,62 4.005,63 321,64 31.201,65 16.872,66 5.403,67 3.397,68 1.39,69 31.175,70 5.7}
{0 CHEMBL1981047,1 32.814,2 45.988,3 4.422,4 2.53,5 2.096,6 24.363,7 1.564,8 1.564,9 246.322,10 4.309,11 4.309,12 207.436,13 1.619,14 135.925,15 11.808,16 3.304,17 2.374,18 3.233,19 1.947,20 1.947,21 6.755,22 101.771,23 101.771,24 2.932,25 5.885,26 5.885,27 12.881,28 2.878,29 246.685,30 593.671,31 41.766,32 3.073,33 8.659,34 3.117,35 3.206,36 3,37 20.03,38 3.218,39 2.904,40 4.271,41 1.541,42 1.47,43 5.042,44 1.854,45 42.534,46 2.941,47 4.199,48 36.641,49 2.91,50 1.881,51 1.523,52 29910,53 2.943,54 2.31,55 45.249,56 1.222,57 2.925,58 0.649,59 9.049,60 3.772,61 61.076,62 3.923,63 197,64 23.704,65 13.468,66 5.178,67 3.009,68 1,69 24.363,70 7.5}
{0 CHEMBL1981079,1 9.215,2 6.806,3 3.543,4 1.897,5 1.308,6 16.19,7 0.948,8 0.948,9 166.6,10 2.454,11 2.454,12 151.613,13 1.136,14 85.385,15 6.904,16 2.893,17 1.981,18 2.841,19 1.406,20 1.406,21 3.469,22 64.707,23 64.707,24 2.559,25 3.738,26 3.738,27 5.895,28 2.431,29 153.628,30 366.611,31 13.263,32 2.796,33 5.571,34 2.57,35 2.657,36 5,37 12.433,38 2.86,39 2.371,40 3.885,41 1.113,42 0.813,43 4.227,44 1.345,45 24.324,46 2.725,47 3.467,48 24.961,49 2.361,50 0.982,51 1.079,52 10013,53 2.73,54 1.877,55 17.365,56 0.86,57 2.336,59 6.819,60 3.238,61 40.006,62 3.981,63 71,64 15.466,65 8.247,66 4.806,67 2.672,68 -0.692,69 16.56,70 5.7}
{0 CHEMBL1981410,1 32.729,2 51.248,3 4.365,4 2.422,5 1.845,6 20.924,7 1.472,8 1.472,9 227.404,10 4.11,11 4.11,12 206.275,13 1.509,14 121.45,15 10.032,16 3.318,17 2.601,18 3.366,19 1.962,20 1.962,21 4.884,22 94.627,23 94.627,24 2.939,25 5.298,26 5.298,27 8.671,28 2.871,29 215.178,30 516.794,31 26.519,32 3.114,33 7.252,34 3.06,35 3.138,36 7,37 17.494,38 3.258,39 2.943,40 4.238,41 1.208,42 1.242,43 4.751,44 1.893,45 35.398,46 2.977,47 4.074,48 38.839,49 2.856,50 1.654,51 1.324,52 30599,53 3.003,54 2.271,55 36.562,56 1.08,57 2.843,58 0.279,59 9.359,60 3.589,61 54.652,62 3.913,63 130,64 22.717,65 11.647,66 5.121,67 3.023,68 0.648,69 23.424,70 5.7}
{0 CHEMBL1981720,1 11.723,2 18.33,3 3.247,4 1.858,5 1.025,6 13.786,7 0.884,8 0.884,9 127.57,10 2.06,11 2.06,12 113.373,13 0.915,14 72.412,15 6.006,16 2.736,17 1.897,18 2.766,19 1.268,20 1.268,21 2.702,22 50.614,23 50.614,24 2.521,25 2.815,26 2.815,27 3.995,28 2.342,29 134.504,30 319.95,31 11.851,32 2.54,33 4.795,34 2.611,35 2.705,36 2,37 10.446,38 2.664,39 2.259,40 3.55,41 0.926,42 0.838,43 3.564,44 1.256,45 21.767,46 2.569,47 2.83,48 20.425,49 2.328,50 0.565,51 0.881,52 6827,53 2.556,54 1.562,55 13.3,56 0.683,57 2.285,58 0.012,59 6.583,60 3.118,61 32.552,62 3.993,63 58,64 12.363,65 6.889,66 4.656,67 2.5,68 -1,69 13.786,70 5.7}
{0 CHEMBL1981725,1 30.651,2 46.372,3 5.043,4 2.964,5 2.452,6 30.589,7 2.017,8 2.017,9 322.844,10 5.973,11 5.973,12 273.447,13 2.163,14 177.726,15 15.367,16 3.479,17 2.98,18 3.702,19 2.415,20 2.415,21 8.256,22 121.416,23 121.416,24 3.206,25 7.277,26 7.277,27 16.916,28 3.364,29 314.124,30 758.223,31 46.854,32 3.321,33 12.5,34 3.366,35 3.405,36 1,37 25.397,38 3.393,39 3.39,40 4.538,41 1.726,42 1.48,43 5.505,44 2.333,45 54.336,46 3.233,47 4.568,48 58.91,49 3.178,50 1.934,51 1.665,52 61987,53 3.248,54 2.491,55 72.839,56 1.401,57 3.192,58 0.826,59 13.172,60 4.042,61 79.976,62 4.039,63 354,64 29.758,65 17.722,66 5.499,67 3.475,68 1.469,69 31.459,70 6.7}
{0 CHEMBL1981782,1 14.116,2 19.189,3 3.222,4 1.63,5 1.236,6 16.527,7 0.698,8 0.698,9 166.968,10 1.625,11 1.625,12 154.302,13 1.06,14 86.951,15 7.292,16 2.921,17 1.949,18 2.82,19 1.414,20 1.414,21 3.874,22 61.351,23 61.351,24 2.656,25 3.525,26 3.525,27 5.181,28 1.966,29 156.895,30 374.585,31 17.752,32 2.823,33 5.1,34 2.55,35 2.631,36 2,37 12.872,38 2.877,39 2.306,40 3.963,41 1.059,42 0.909,43 4.042,44 1.199,45 25,46 2.739,47 3.025,48 19.906,49 2.306,50 0.738,51 1.052,52 10462,53 2.75,54 1.834,55 16.983,56 0.85,57 2.315,58 0.019,59 6.176,60 3.266,61 36.292,62 3.987,63 70,64 15.154,65 7.908,66 4.736,67 2.588,68 -0.682,69 15.527,70 5.7}
{0 CHEMBL1982122,1 11.753,2 19.333,3 3.504,4 2.103,5 1.518,6 18.123,7 1.149,8 1.149,9 187.65,10 2.684,11 2.684,12 169.726,13 1.251,14 107.253,15 9.383,16 2.946,17 2.232,18 3.005,19 1.517,20 1.517,21 5.269,22 69.429,23 69.429,24 2.687,25 4.133,26 4.133,27 10.526,28 2.555,29 188.872,30 452.608,31 27.95,32 2.872,33 7.429,34 2.854,35 2.925,36 4,37 14.986,38 2.894,39 2.445,40 3.922,41 1.181,42 1.107,43 4.336,44 1.39,45 32.211,46 2.799,47 3.247,48 24.211,49 2.715,50 1.036,51 1.107,52 12988,53 2.783,54 1.779,55 24.982,56 0.912,57 2.735,58 0.218,59 7.145,60 3.566,61 43.458,62 4.074,63 94,64 16.984,65 9.381,66 4.909,67 2.64,68 -0.326,69 17.769,70 5.7}
{0 CHEMBL1982135,1 21.187,2 24.899,3 4.156,4 2.414,5 1.906,6 20.311,7 1.414,8 1.414,9 229.371,10 3.561,11 3.561,12 199.247,13 1.619,14 117.722,15 10.204,16 3.18,17 2.448,18 3.207,19 1.809,20 1.809,21 6.395,22 77.65,23 77.65,24 2.936,25 5.235,26 5.235,27 10.553,28 2.874,29 201.732,30 483.987,31 29.176,32 2.965,33 9.548,34 3,35 3.103,36 7,37 16.638,38 3.12,39 2.774,40 4.185,41 1.227,42 1.188,43 4.797,44 1.74,45 34.461,46 3.001,47 4.081,48 29.53,49 2.795,50 1.472,51 1.29,52 17781,53 2.977,54 2.082,55 28.243,56 1.104,57 2.814,58 0.325,59 7.956,60 3.639,61 51.908,62 4.135,63 113,64 18.226,65 11.312,66 5.078,67 3.013,68 0.396,69 19.957,70 5.7}
{0 CHEMBL1982361,1 15.921,2 24.705,3 3.251,4 1.984,5 1.506,6 14.656,7 1,8 1,9 148.22,10 2.136,11 2.136,12 127.2,13 1.24,14 81.89,15 6.642,16 2.925,17 1.931,18 2.835,19 1.414,20 1.414,21 3.273,22 59.199,23 59.199,24 2.568,25 2.981,26 2.981,27 5.167,28 2.5,29 145.295,30 346.279,31 14.116,32 2.687,33 4.484,34 2.677,35 2.745,36 1,37 11.468,38 2.854,39 2.375,40 3.683,41 0.991,42 0.874,43 3.61,44 1.342,45 23.671,46 2.615,47 3.247,48 22.134,49 2.453,50 1,51 1.079,52 9345,53 2.661,54 1.558,55 17.041,56 0.784,57 2.427,59 6.59,60 3.229,61 37.303,62 3.883,63 68,64 14.27,65 8.22,66 4.745,67 2.765,68 -0.596,69 15.527,70 5.7}
{0 CHEMBL1982383,1 13.999,2 16.338,3 4.286,4 2.279,5 1.559,6 21.847,7 1.322,8 1.322,9 220.198,10 3.552,11 3.552,12 188.203,13 1.431,14 121.363,15 10.418,16 3.206,17 2.467,18 3.22,19 1.869,20 1.869,21 5.165,22 93.858,23 93.858,24 2.782,25 5.648,26 5.648,27 9.501,28 2.743,29 225.301,30 541.495,31 29.457,32 2.97,33 8.007,34 2.981,35 3.063,36 1,37 18.086,38 3.117,39 2.813,40 4.184,41 1.415,42 1.315,43 5.012,44 1.759,45 38.046,46 2.868,47 3.645,48 34.33,49 2.715,50 1.251,51 1.346,52 20645,53 2.881,54 2.201,55 33.688,56 1.068,57 2.735,58 0.469,59 8.139,60 3.658,61 54.687,62 4.019,63 148,64 22.128,65 11.681,66 5.097,67 3.016,68 0.741,69 22.717,70 5.7}
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{0 CHEMBL1982506,1 12.785,2 12.791,3 2.829,4 1.229,5 1.018,6 13.569,7 0.376,8 0.376,9 142.323,10 0.516,11 0.516,12 117.96,13 0.485,14 65.167,15 5.558,16 2.809,17 1.571,18 2.576,19 1.204,20 1.204,21 3.064,22 49.556,23 49.556,24 2.272,25 2.953,26 2.953,27 5.155,28 1.52,29 122.372,30 290.349,31 14.086,32 2.668,33 5.363,34 2.348,35 2.379,37 10.312,38 2.795,39 2.135,40 3.743,41 0.866,42 0.537,43 3.977,44 1.104,45 19.875,46 2.547,47 2.534,48 19.271,49 2.143,50 0.763,51 0.865,52 5398,53 2.594,54 1.666,55 11.324,56 0.632,57 2.094,59 5.656,60 3.039,61 34.461,62 4.043,63 47,64 11.932,65 7.492,66 4.642,67 1.819,68 -0.929,69 13.569,70 5.7}
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{0 CHEMBL1982660,1 20.491,2 29.053,3 3.49,4 2.062,5 1.558,6 16.234,7 1.112,8 1.112,9 180.079,10 2.539,11 2.539,12 166.214,13 1.368,14 86.634,15 7.417,16 3.029,17 2.215,18 2.993,19 1.531,20 1.531,21 3.479,22 73.783,23 73.783,24 2.641,25 4.24,26 4.24,27 6.095,28 2.57,29 164.078,30 392.11,31 17.918,32 2.854,33 5.354,34 2.752,35 2.825,36 3,37 13.464,38 2.962,39 2.494,40 3.946,41 1.126,42 0.973,43 4.434,44 1.471,45 26.313,46 2.795,47 3.392,48 29.72,49 2.564,50 1.094,51 1.141,52 15801,53 2.799,54 1.986,55 21.633,56 0.93,57 2.554,58 0.123,59 7.668,60 3.295,61 42.813,62 3.995,63 100,64 17.962,65 8.931,66 4.892,67 2.872,68 0.234,69 18.734,70 6.1}
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{0 CHEMBL1982874,1 7.489,2 4.198,3 4.58,4 2.349,5 1.737,6 19.018,7 1.414,8 1.414,9 244.106,10 4.239,11 4.239,12 208.077,13 1.552,14 113.348,15 10.528,16 3.055,17 2.565,18 3.371,19 1.994,20 1.994,21 6.037,22 76.29,23 76.29,24 2.775,25 6.023,26 6.023,27 9.181,28 2.903,29 194.468,30 466.262,31 21.297,32 2.863,33 8.971,34 2.854,35 2.925,37 16.364,38 2.958,39 2.939,40 4.105,41 1.259,42 1.271,43 5.04,44 1.876,45 33.944,46 2.788,47 4.406,48 28.746,49 2.715,50 1.403,51 1.429,52 16261,53 2.791,54 2.233,55 24.568,56 1.153,57 2.735,58 0.463,59 7.441,60 3.639,61 54.122,62 4.107,63 114,64 17.313,65 11.55,66 5.125,67 3.101,68 0.282,69 19.535,70 5.7}
{0 CHEMBL1982924,1 11.833,2 15.343,3 3.502,4 2.077,5 1.341,6 17.933,7 1.101,8 1.101,9 173.674,10 2.604,11 2.604,12 148.644,13 1.295,14 99.795,15 8.224,16 2.979,17 1.987,18 2.86,19 1.397,20 1.397,21 4.206,22 64.849,23 64.849,24 2.687,25 3.502,26 3.502,27 7.71,28 2.584,29 178.81,30 428.056,31 20.231,32 2.827,33 6.664,34 2.854,35 2.925,36 3,37 14.192,38 2.914,39 2.381,40 3.879,41 1.181,42 1.107,43 4.088,44 1.363,45 30.256,46 2.747,47 3.473,48 28.333,49 2.715,50 1.099,51 1.124,52 12992,53 2.758,54 2.035,55 22.426,56 0.947,57 2.735,58 0.218,59 8.072,60 3.475,61 44.24,62 4.043,63 98,64 16.369,65 9.743,66 4.945,67 2.811,68 -0.352,69 17.933,70 5.7}
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{0 CHEMBL1985311,1 19.558,2 26.018,3 4.112,4 2.347,5 1.819,6 19.51,7 1.365,8 1.365,9 197.349,10 3.602,11 3.602,12 170.282,13 1.473,14 108.379,15 8.852,16 3.058,17 2.624,18 3.343,19 1.911,20 1.911,21 4.524,22 80.159,23 80.159,24 2.705,25 5.351,26 5.351,27 7.938,28 2.805,29 193.597,30 464.136,31 22.719,32 2.912,33 6.979,34 2.854,35 2.941,36 8,37 15.239,38 2.993,39 2.87,40 4.046,41 1.181,42 1.111,43 4.813,44 1.83,45 32.205,46 2.859,47 3.817,48 32.698,49 2.715,50 1.185,51 1.21,52 19965,53 2.865,54 2.143,55 28.533,56 0.975,57 2.735,58 0.227,59 8.599,60 3.524,61 49.796,62 4.046,63 118,64 19.086,65 10.787,66 5.034,67 2.968,68 0.517,69 20.38,70 5.7}
{0 CHEMBL1985406,1 10.255,2 11.42,3 3.288,4 2.014,5 1.353,6 14.656,7 1.013,8 1.013,9 157.672,10 1.856,11 1.856,12 135.427,13 1.182,14 82.956,15 7.322,16 2.981,17 2.023,18 2.863,19 1.414,20 1.414,21 3.558,22 64.576,23 64.576,24 2.626,25 3.281,26 3.281,27 6.084,28 2.182,29 155.016,30 370,31 17.212,32 2.826,33 4.872,34 2.714,35 2.785,36 3,37 12.49,38 2.929,39 2.382,40 3.852,41 1.039,42 1.014,43 4.089,44 1.356,45 25.676,46 2.73,47 3.05,48 22.203,49 2.529,50 0.913,51 1.042,52 9600,53 2.751,54 1.774,55 18.609,56 0.829,57 2.518,58 0.045,59 6.071,60 3.311,61 39.139,62 4.034,63 87,64 15.479,65 8.464,66 4.779,67 2.66,68 -0.6,69 16.397,70 5.7}
{0 CHEMBL1985566,1 40.342,2 57.472,3 4.485,4 2.741,5 2.55,6 28.89,7 1.823,8 1.823,9 283.929,10 4.519,11 4.519,12 242.73,13 2.012,14 162.961,15 14.062,16 3.427,17 2.839,18 3.533,19 2.227,20 2.227,21 7.628,22 110.526,23 110.526,24 3.201,25 6.657,26 6.657,27 18.446,28 3.371,29 291.801,30 703.754,31 47.033,32 3.27,33 11.256,34 3.284,35 3.332,36 2,37 23.483,38 3.375,39 3.213,40 4.477,41 1.576,42 1.521,43 5.258,44 2.186,45 50.5,46 3.222,47 4.447,48 49.131,49 3.073,50 2.305,51 1.551,52 53583,53 3.224,54 2.523,55 69.714,56 1.367,57 3.041,58 0.825,59 11.602,60 3.972,61 71.254,62 4.011,63 282,64 27.962,65 15.805,66 5.389,67 3.467,68 1.388,69 28.89,70 5.7}
{0 CHEMBL1985580,1 11.193,2 13.185,3 3.636,4 2.283,5 1.618,6 20.761,7 1.288,8 1.288,9 185.099,10 3.013,11 3.013,12 162.07,13 1.402,14 119.279,15 9.751,16 3.161,17 2.427,18 3.118,19 1.618,20 1.618,21 4.858,22 74.219,23 74.219,24 2.8,25 3.813,26 3.813,27 10.05,28 2.771,29 214.123,30 514.219,31 25.751,32 3.01,33 7.126,34 2.939,35 3.035,36 8,37 16.402,38 3.108,39 2.618,40 3.979,41 1.287,42 1.184,43 4.189,44 1.618,45 36.33,46 2.966,47 3.581,48 32.804,49 2.721,50 1.274,51 1.279,52 20327,53 2.97,54 2.087,55 32.213,56 1.077,57 2.735,58 0.344,59 8.943,60 3.658,61 49.135,62 4.06,63 138,64 19.658,65 10.674,66 5.055,67 2.964,68 0.456,69 20.761,70 5.9}
{0 CHEMBL1986139,1 11.088,2 19.407,3 2.779,4 0.933,5 0.881,6 12.518,7 0.031,8 0.031,9 146.842,10 0.078,11 0.078,12 133.964,13 0.628,14 71.596,15 6.299,16 2.414,17 1.5,18 2.5,19 1,20 1,21 3.676,22 44.322,23 44.322,24 2.195,25 2.136,26 2.136,27 3.55,28 1.33,29 123.053,30 292.01,31 9.602,32 2.515,33 5.173,34 2.163,35 2.238,37 10.295,38 2.358,39 2,40 3.76,41 0.735,42 0.261,43 3.347,44 1,45 19.807,46 2.256,47 2.323,48 13.946,49 1.961,50 -0.122,51 0.76,52 4336,53 2.226,54 1.387,55 8.865,56 0.477,57 2.013,59 4.938,60 3.099,61 28.833,62 4.038,63 41,64 10.781,65 6.249,66 4.522,67 2.253,68 -1.611,69 11.665,70 5.7}
{0 CHEMBL1986186,1 14.61,2 22.014,3 3.018,4 1.088,5 1,6 14.914,7 0.2,8 0.2,9 132.061,10 0.488,11 0.488,12 113.703,13 0.983,14 78.31,15 6.503,16 2.925,17 1.5,18 2.5,19 1.155,20 1.155,21 3.377,22 60.062,23 60.062,24 2.499,25 2.967,26 2.967,27 6.705,28 1.535,29 150.68,30 359.419,31 19.409,32 2.507,33 3.674,34 2.854,35 2.925,36 7,37 12.123,38 2.865,39 2.107,40 3.602,41 1.181,42 0.996,43 3.6,44 1.093,45 25.017,46 2.618,47 2.723,48 15.317,49 2.57,50 -0.147,51 1.107,52 5812,53 2.57,54 1.48,55 14,56 0.886,57 2.591,58 0.218,59 4.385,60 3.238,61 33.575,62 3.858,63 56,64 14.575,65 7.164,66 4.61,67 2.223,68 -1,69 14.914,70 5.7}
{0 CHEMBL1986263,1 21.932,2 31.6,3 3.48,4 2.05,5 1.507,6 17.458,7 1.121,8 1.121,9 183.251,10 2.536,11 2.536,12 165.124,13 1.176,14 97.172,15 8.384,16 3.105,17 1.796,18 2.722,19 1.397,20 1.397,21 4.777,22 71.932,23 71.932,24 2.65,25 3.818,26 3.818,27 7.99,28 2.501,29 174.541,30 417.641,31 27.281,32 2.904,33 6.168,34 2.766,35 2.84,36 1,37 14.554,38 3.045,39 2.317,40 3.948,41 1.113,42 1.021,43 4.345,44 1.268,45 28.909,46 2.857,47 3.092,48 21.948,49 2.603,50 1.259,51 1.23,52 10494,53 2.85,54 1.792,55 19.292,56 0.996,57 2.624,58 0.214,59 6.303,60 3.401,61 40.512,62 3.874,63 84,64 16.806,65 8.761,66 4.787,67 2.657,68 -0.357,69 17.104,70 6.1}
{0 CHEMBL1986328,1 9.184,2 12.321,3 3.535,4 2.031,5 1.66,6 18.096,7 1.062,8 1.062,9 184.461,10 2.428,11 2.428,12 157.376,13 1.226,14 93.313,15 7.995,16 3.009,17 2.456,18 3.146,19 1.659,20 1.659,21 3.831,22 69.012,23 69.012,24 2.557,25 4.631,26 4.631,27 6.238,28 2.334,29 173.343,30 414.718,31 16.248,32 2.805,33 6.136,34 2.874,35 2.952,37 14.263,38 2.899,39 2.614,40 3.89,41 1.31,42 1.308,43 4.528,44 1.583,45 28.955,46 2.718,47 3.268,48 28.624,49 2.57,50 0.829,51 1.329,52 12657,53 2.729,54 2.055,55 23.846,56 1.065,57 2.618,58 0.261,59 7.849,60 3.396,61 43.887,62 3.994,63 90,64 16.517,65 9.802,66 4.951,67 2.667,68 -0.236,69 18.096,70 5.7}
{0 CHEMBL1986499,1 13.171,2 16.72,3 4.031,4 2.292,5 1.565,6 18.924,7 1.317,8 1.317,9 207.566,10 3.181,11 3.181,12 174.266,13 1.472,14 112.832,15 9.162,16 2.997,17 2.592,18 3.292,19 1.869,20 1.869,21 4.885,22 70.98,23 70.98,24 2.758,25 5.411,26 5.411,27 7.077,28 2.78,29 191.67,30 459.435,31 20.135,32 2.831,33 7.749,34 2.854,35 2.925,37 15.379,38 2.912,39 2.824,40 4.023,41 1.181,42 1.107,43 4.886,44 1.783,45 32.54,46 2.76,47 3.758,48 32.586,49 2.715,50 1.173,51 1.107,52 16701,53 2.764,54 2.164,55 26.904,56 0.886,57 2.735,58 0.218,59 8.755,60 3.563,61 51.27,62 4.034,63 111,64 17.595,65 11.293,66 5.086,67 2.937,68 0.361,69 19.794,70 5.7}
{0 CHEMBL1986530,1 28.588,2 33.148,3 4.349,4 2.488,5 2.247,6 21.916,7 1.521,8 1.521,9 233.161,10 3.996,11 3.996,12 198.138,13 1.742,14 123.023,15 11.289,16 3.211,17 2.381,18 3.205,19 1.876,20 1.876,21 6.417,22 96.118,23 96.118,24 2.866,25 4.76,26 4.76,27 11.45,28 2.858,29 224.702,30 540.033,31 35.078,32 3.088,33 8.587,34 3.111,35 3.206,36 2,37 18.259,38 3.164,39 2.838,40 4.258,41 1.452,42 1.338,43 4.621,44 1.81,45 38.495,46 2.964,47 3.703,48 32.115,49 2.91,50 1.596,51 1.422,52 25934,53 2.983,54 2.229,55 36.4,56 1.153,57 2.941,58 0.733,59 7.916,60 3.701,61 57.156,62 3.94,63 161,64 21.727,65 12.759,66 5.13,67 3.175,68 1.027,69 22.786,70 5.7}
{0 CHEMBL1986597,1 20.29,2 24.357,3 4.373,4 2.506,5 2.196,6 25.536,7 1.531,8 1.531,9 302.619,10 4.055,11 4.055,12 257.161,13 1.67,14 132.841,15 12.651,16 3.336,17 2.633,18 3.376,19 2.126,20 2.126,21 7.793,22 103.718,23 103.718,24 3.121,25 6.328,26 6.328,27 11.498,28 3.015,29 243.567,30 586.063,31 33.773,32 3.228,33 10.194,34 3.197,35 3.238,36 1,37 19.917,38 3.29,39 3.073,40 4.419,41 1.358,42 1.429,43 5.28,44 1.998,45 40.801,46 3.074,47 4.284,48 43.986,49 3.017,50 1.791,51 1.44,52 36559,53 3.101,54 2.356,55 42.364,56 1.171,57 2.998,58 0.491,59 10.01,60 3.78,61 62.479,62 4.087,63 164,64 24.162,65 13.797,66 5.281,67 3.085,68 1.095,69 25.286,70 5.7}
{0 CHEMBL1986603,1 27.537,2 34.462,3 4.464,4 2.57,5 2.03,6 22.855,7 1.631,8 1.631,9 235.294,10 4.42,11 4.42,12 214.722,13 1.654,14 121.184,15 10.653,16 3.201,17 2.536,18 3.255,19 1.833,20 1.833,21 5.571,22 94.696,23 94.696,24 2.886,25 4.907,26 4.907,27 8.504,28 3,29 221.114,30 531.279,31 25.274,32 3.003,33 7.007,34 2.985,35 3.067,36 5,37 18.271,38 3.103,39 2.783,40 4.086,41 1.359,42 1.437,43 4.662,44 1.736,45 36.381,46 2.899,47 3.894,48 32.392,49 2.781,50 1.637,51 1.489,52 28958,53 2.868,54 2.285,55 43.219,56 1.237,57 2.814,58 0.45,59 8.75,60 3.622,61 53,62 3.989,63 168,64 22.178,65 11.199,66 5.101,67 3.038,68 0.731,69 22.501,70 5.7}
{0 CHEMBL1986781,1 18.58,2 30.45,3 4.402,4 2.353,5 1.948,6 20.501,7 1.414,8 1.414,9 225.658,10 3.959,11 3.959,12 193.076,13 1.391,14 113.137,15 10.153,16 3.206,17 2.373,18 3.265,19 1.987,20 1.987,21 5.551,22 88.567,23 88.567,24 2.866,25 5.844,26 5.844,27 9.278,28 2.881,29 205.517,30 493.223,31 29.52,32 2.892,33 8.015,34 3.042,35 3.136,36 2,37 16.955,38 3.111,39 2.936,40 4.114,41 1.352,42 1.329,43 4.992,44 1.873,45 34.972,46 2.941,47 3.779,48 32.193,49 2.815,50 1.43,51 1.429,52 21621,53 2.91,54 2.287,55 31.777,56 1.153,57 2.804,58 0.523,59 8.251,60 3.591,61 54.406,62 3.997,63 145,64 19.86,65 11.816,66 5.107,67 2.903,68 0.445,69 21.372,70 5.7}
{0 CHEMBL1986869,1 13.107,2 17.525,3 3.516,4 2.022,5 1.62,6 18.096,7 1.07,8 1.07,9 217.469,10 2.654,11 2.654,12 196.42,13 1.237,14 100.796,15 9.141,16 2.925,17 2.3,18 3.106,19 1.682,20 1.682,21 5.605,22 68.219,23 68.219,24 2.687,25 4.351,26 4.351,27 6.648,28 2.571,29 175.222,30 419.302,31 18.061,32 2.97,33 7.473,34 2.849,35 2.902,36 3,37 14.818,38 2.854,39 2.577,40 4.067,41 1.077,42 1.05,43 4.416,44 1.479,45 28.824,46 2.743,47 3.44,48 24.404,49 2.687,50 1,51 1.107,52 12629,53 2.715,54 1.82,55 23.632,56 0.886,57 2.735,58 0.218,59 6.998,60 3.472,61 43.717,62 4.086,63 90,64 16.246,65 9.563,66 4.929,67 2.794,68 -0.395,69 17.389,70 5.7}
{0 CHEMBL1986943,1 13.245,2 20.57,3 3.564,4 2,5 1.457,6 17.018,7 1.028,8 1.028,9 174.245,10 2.559,11 2.559,12 158.098,13 1.322,14 95.057,15 8.483,16 2.946,17 2.128,18 2.978,19 1.547,20 1.547,21 4.645,22 70.322,23 70.322,24 2.772,25 4.23,26 4.23,27 6.673,28 2.524,29 170.075,30 406.744,31 23.563,32 2.866,33 6.54,34 2.814,35 2.877,36 2,37 13.793,38 2.877,39 2.513,40 3.895,41 1.16,42 1.025,43 4.501,44 1.488,45 28.671,46 2.666,47 3.414,48 19.883,49 2.613,50 1,51 1.16,52 10407,53 2.692,54 1.847,55 18.833,56 0.998,57 2.601,58 0.274,59 5.632,60 3.411,61 41.443,62 4.014,63 90,64 15.67,65 8.873,66 4.82,67 2.895,68 -0.606,69 16.518,70 5.7}
{0 CHEMBL1986970,1 16.403,2 22.285,3 3.596,4 2.263,5 1.59,6 20.217,7 1.293,8 1.293,9 198.251,10 2.99,11 2.99,12 167.53,13 1.427,14 113.192,15 9.324,16 3.116,17 2.126,18 2.95,19 1.534,20 1.534,21 4.804,22 81.438,23 81.438,24 2.799,25 4.137,26 4.137,27 7.317,28 2.748,29 202.12,30 484.934,31 27.641,32 2.91,33 6.986,34 2.971,35 3.084,37 16.37,38 3.05,39 2.517,40 4.004,41 1.453,42 1.353,43 4.375,44 1.507,45 34.034,46 2.911,47 3.561,48 30.766,49 2.771,50 1.332,51 1.393,52 16002,53 2.902,54 2.09,55 28.114,56 1.203,57 2.772,58 0.494,59 8.073,60 3.549,61 49.251,62 4.02,63 126,64 19.31,65 10.724,66 5.012,67 2.77,68 0.444,69 20.217,70 5.7}
{0 CHEMBL1987007,1 14.036,2 22.977,3 3.491,4 2,5 1.266,6 16.872,7 1,8 1,9 188.898,10 2.401,11 2.401,12 165.637,13 1.097,14 98.802,15 9.049,16 3.01,17 1.94,18 2.834,19 1.356,20 1.356,21 5.619,22 70.718,23 70.718,24 2.687,25 3.598,26 3.598,27 9.117,28 2.5,29 175.672,30 420.399,31 26.453,32 2.866,33 6.979,34 2.854,35 2.925,36 1,37 14.397,38 2.934,39 2.329,40 3.949,41 1.306,42 1.127,43 4.126,44 1.308,45 30.216,46 2.759,47 3.414,48 18.722,49 2.715,50 1.01,51 1.427,52 10105,53 2.748,54 1.876,55 21.479,56 1.153,57 2.735,58 0.387,59 5.507,60 3.492,61 41.676,62 4.094,63 92,64 15.793,65 9.107,66 4.834,67 2.668,68 -0.704,69 16.518,70 5.7}
{0 CHEMBL1987009,1 12.058,2 15.608,3 3.502,4 2.147,5 1.432,6 18.286,7 1.19,8 1.19,9 198.224,10 2.649,11 2.649,12 174.434,13 1.218,14 104.427,15 9.005,16 2.925,17 2.042,18 2.893,19 1.421,20 1.421,21 5.152,22 70.649,23 70.649,24 2.687,25 3.778,26 3.778,27 8.512,28 2.674,29 183.276,30 438.953,31 22.673,32 2.844,33 7.199,34 2.854,35 2.897,36 1,37 14.969,38 2.859,39 2.38,40 3.992,41 1.212,42 1.107,43 4.184,44 1.352,45 30.904,46 2.735,47 3.489,48 24.974,49 2.715,50 1.056,51 1.304,52 13926,53 2.725,54 1.95,55 25.254,56 1.106,57 2.732,58 0.293,59 7.36,60 3.519,61 44.433,62 4.095,63 104,64 16.947,65 9.766,66 4.936,67 2.711,68 -0.034,69 17.933,70 5.7}
{0 CHEMBL1987034,1 27.039,2 42.574,3 3.491,4 2.286,5 1.837,6 22.105,7 1.369,8 1.369,9 260.721,10 2.646,11 2.646,12 264.752,13 1.324,14 112.596,15 10.482,16 3.045,17 2.163,18 3.377,19 1.509,20 1.509,21 5.075,22 86.288,23 86.288,24 2.834,25 4.328,26 4.328,27 7.929,28 2.827,29 204.85,30 491.595,31 22.287,32 3.004,33 7.585,34 2.854,35 2.925,36 4,37 17.236,38 2.979,39 2.485,40 4.338,41 1.181,42 1.107,43 4.469,44 1.464,45 32.205,46 2.798,47 3.447,48 32.137,49 2.715,50 1.572,51 1.146,52 22021,53 2.811,54 2.031,55 32.031,56 0.91,57 2.735,58 0.218,59 8.425,60 3.514,61 46.595,62 4.052,63 157,64 21.031,65 9.714,66 5.04,67 2.982,68 0.152,69 20.855,70 7.4}
{0 CHEMBL1987054,1 30.233,2 35.541,3 5.009,4 2.786,5 2.307,6 27.432,7 1.854,8 1.854,9 294.617,10 5.488,11 5.488,12 253.304,13 1.798,14 150.344,15 13.41,16 3.399,17 2.775,18 3.501,19 2.182,20 2.182,21 7.428,22 115.269,23 115.269,24 3.234,25 6.277,26 6.277,27 12.912,28 3.142,29 270.676,30 652.209,31 45.413,32 3.319,33 11.01,34 3.151,35 3.221,36 6,37 22.611,38 3.318,39 3.162,40 4.467,41 1.513,42 1.449,43 5.147,44 2.138,45 46.398,46 3.051,47 4.8,48 39.739,49 2.963,50 1.937,51 1.5,52 41968,53 3.085,54 2.318,55 55.682,56 1.241,57 2.962,58 0.739,59 9.493,60 3.868,61 68.569,62 4.021,63 266,64 26.173,65 14.871,66 5.316,67 3.413,68 1.044,69 26.932,70 7.1}
{0 CHEMBL1987359,1 19.67,2 25.315,3 3.559,4 2.101,5 1.733,6 18.518,7 1.136,8 1.136,9 170.059,10 2.255,11 2.255,12 143.724,13 1.299,14 102.75,15 9.16,16 3.228,17 1.766,18 2.757,19 1.527,20 1.527,21 4.638,22 77.249,23 77.249,24 2.832,25 3.139,26 3.139,27 9.92,28 2.374,29 192.317,30 461.013,31 30.106,32 2.978,33 6.723,34 2.906,35 2.905,36 3,37 15.047,38 3.156,39 2.528,40 4.012,41 1.353,42 1.086,43 3.873,44 1.524,45 32.756,46 2.938,47 3.445,48 23.736,49 2.703,50 1.334,51 1.384,52 11449,53 2.928,54 1.697,55 29.03,56 1.135,57 2.666,58 0.467,59 5.869,60 3.519,61 43.655,62 4.092,63 122,64 18.68,65 9.305,66 4.826,67 2.668,68 -0.249,69 18.518,70 5.7}
{0 CHEMBL1987648,1 13.037,2 16.338,3 4.167,4 2.229,5 1.558,6 20.433,7 1.283,8 1.283,9 210.532,10 3.398,11 3.398,12 179.509,13 1.431,14 113.304,15 9.656,16 3.206,17 2.435,18 3.182,19 1.788,20 1.788,21 4.888,22 85.921,23 85.921,24 2.767,25 5.312,26 5.312,27 9.033,28 2.733,29 208.915,30 501.512,31 26.061,32 2.955,33 7.502,34 2.981,35 3.063,36 1,37 17.094,38 3.116,39 2.728,40 4.126,41 1.409,42 1.308,43 4.938,44 1.676,45 35.279,46 2.865,47 3.642,48 31.923,49 2.715,50 1.193,51 1.315,52 17651,53 2.876,54 2.179,55 29.307,56 1.061,57 2.735,58 0.469,59 7.903,60 3.592,61 51.987,62 4.015,63 132,64 20.243,65 11.231,66 5.059,67 3.016,68 0.357,69 21.303,70 5.7}
{0 CHEMBL1987679,1 16.738,2 18.936,3 4.243,4 2.472,5 1.852,6 20.501,7 1.527,8 1.527,9 209.963,10 3.821,11 3.821,12 180.485,13 1.501,14 112,15 9.672,16 3.072,17 2.319,18 3.132,19 1.83,20 1.83,21 5.089,22 78.957,23 78.957,24 2.798,25 5.187,26 5.187,27 9.347,28 2.882,29 201.392,30 483.156,31 25.169,32 2.896,33 7.94,34 2.913,35 2.977,36 4,37 16.092,38 3.013,39 2.812,40 4.022,41 1.274,42 1.163,43 4.79,44 1.792,45 34.478,46 2.835,47 4.145,48 31.291,49 2.773,50 1.546,51 1.269,52 21666,53 2.838,54 2.163,55 30.009,56 1.042,57 2.774,58 0.27,59 8.574,60 3.603,61 52.195,62 4.048,63 122,64 18.822,65 11.335,66 5.085,67 3.045,68 0.677,69 20.501,70 5.7}
{0 CHEMBL1987756,1 10.974,2 8.718,3 3.513,4 2.219,5 1.536,6 20.365,7 1.252,8 1.252,9 236.852,10 2.672,11 2.672,12 247.221,13 1.228,14 112.684,15 10.79,16 3.024,17 1.948,18 2.928,19 1.618,20 1.618,21 6.014,22 81.434,23 81.434,24 2.826,25 3.591,26 3.591,27 10.028,28 2.575,29 205.511,30 493.206,31 29.182,32 3.169,33 7.329,34 2.884,35 2.932,36 5,37 17.002,38 2.954,39 2.603,40 4.206,41 1.193,42 1.107,43 3.836,44 1.588,45 33.779,46 2.852,47 3.414,48 25.644,49 2.747,50 1.052,51 1.172,52 17914,53 2.815,54 1.715,55 27.877,56 0.941,57 2.784,58 0.326,59 7.107,60 3.594,61 43.023,62 4.137,63 131,64 19.715,65 9.147,66 4.929,67 2.762,68 -0.022,69 19.115,70 5.7}
{0 CHEMBL1987910,1 17.508,2 22.606,3 4.064,4 2.375,5 1.544,6 19.156,7 1.381,8 1.381,9 229.675,10 3.282,11 3.282,12 210.591,13 1.469,14 111.743,15 9.67,16 3.161,17 2.607,18 3.362,19 1.927,20 1.927,21 5.397,22 83.536,23 83.536,24 2.774,25 5.253,26 5.253,27 10.286,28 2.846,29 196.334,30 470.814,31 27.672,32 3.006,33 7.546,34 2.87,35 2.941,36 5,37 16.142,38 3.068,39 2.874,40 4.16,41 1.204,42 1.107,43 4.77,44 1.757,45 32.267,46 2.901,47 3.81,48 34.423,49 2.717,50 1.334,51 1.251,52 23538,53 2.881,54 2.123,55 29.333,56 0.915,57 2.735,58 0.218,59 8.499,60 3.562,61 51.463,62 4.112,63 104,64 20.33,65 10.76,66 5.078,67 2.989,68 0.51,69 21.303,70 5.7}
{0 CHEMBL1988075,1 18.938,2 24.25,3 4.558,4 2.697,5 2.266,6 23.139,7 1.724,8 1.724,9 252.445,10 4.689,11 4.689,12 221.125,13 1.703,14 133.556,15 11.384,16 3.274,17 2.776,18 3.465,19 2.091,20 2.091,21 6.396,22 90.504,23 90.504,24 2.886,25 5.71,26 5.71,27 12.229,28 3.149,29 232.518,30 559.103,31 34.295,32 3.101,33 9.677,34 2.945,35 3.04,36 6,37 18.988,38 3.192,39 3.044,40 4.277,41 1.303,42 1.214,43 4.923,44 1.988,45 39.159,46 3.032,47 4.439,48 39.679,49 2.776,50 1.526,51 1.362,52 30337,53 3.014,54 2.31,55 43.052,56 1.159,57 2.805,58 0.308,59 10.026,60 3.755,61 59.061,62 4.137,63 166,64 22.146,65 12.664,66 5.22,67 3.304,68 0.848,69 23.656,70 5.7}
{0 CHEMBL1988076,1 17.6,2 27.402,3 4.432,4 2.465,5 2.13,6 25.545,7 1.514,8 1.514,9 275.688,10 4.19,11 4.19,12 240.515,13 1.737,14 146.23,15 12.62,16 3.258,17 2.733,18 3.425,19 2.076,20 2.076,21 6.738,22 92.577,23 92.577,24 2.983,25 6.345,26 6.345,27 10.758,28 2.953,29 253.643,30 610.648,31 28.466,32 3.208,33 10.623,34 3.157,35 3.2,36 1,37 20.737,38 3.174,39 3.014,40 4.296,41 1.362,42 1.412,43 5.201,44 1.93,45 43.228,46 3.049,47 4.155,48 45.191,49 3.001,50 1.488,51 1.469,52 33303,53 3.049,54 2.347,55 44.906,56 1.225,57 3.025,58 0.532,59 11.212,60 3.849,61 64.39,62 4.067,63 192,64 23.231,65 14.163,66 5.324,67 3.218,68 1.123,69 25.192,70 5.5}
{0 CHEMBL1988153,1 13.35,2 13.764,3 3.996,4 2,5 1.502,6 16.165,7 1.071,8 1.071,9 218.855,10 2.957,11 2.957,12 200.105,13 1.379,14 91.257,15 8.248,16 2.937,17 2.175,18 2.963,19 1.564,20 1.564,21 4.614,22 71.901,23 71.901,24 2.687,25 4.636,26 4.636,27 5.678,28 2.533,29 161.021,30 384.651,31 11.058,32 2.736,33 6.804,34 2.854,35 2.925,37 14.058,38 2.91,39 2.478,40 4.055,41 1.012,42 1.034,43 4.572,44 1.401,45 26.193,46 2.735,47 3.414,48 26.536,49 2.686,50 1,51 1.092,52 16315,53 2.715,54 2.023,55 24.592,56 0.862,57 2.678,58 0.124,59 7.181,60 3.359,61 45.067,62 4.086,63 94,64 16.984,65 9.651,66 4.958,67 2.908,68 0.283,69 18.311,70 5.7}
{0 CHEMBL1988173,1 19.132,2 21.657,3 3.669,4 2.317,5 1.668,6 21.855,7 1.317,8 1.317,9 203.03,10 2.901,11 2.901,12 187.977,13 1.378,14 119.157,15 9.666,16 3.039,17 2.143,18 3.012,19 1.593,20 1.593,21 4.877,22 83.82,23 83.82,24 2.888,25 3.747,26 3.747,27 11.532,28 2.781,29 215.26,30 516.993,31 34.617,32 2.905,33 6.9,34 2.854,35 2.925,36 11,37 17.22,38 2.973,39 2.583,40 4.194,41 1.181,42 1.107,43 4.162,44 1.56,45 35.284,46 2.782,47 3.432,48 31.307,49 2.715,50 1.268,51 1.149,52 17955,53 2.78,54 1.962,55 26.785,56 0.887,57 2.735,58 0.218,59 7.907,60 3.602,61 47.965,62 3.949,63 127,64 21.272,65 10.438,66 4.987,67 2.818,68 0.32,69 20.855,70 5.7}
{0 CHEMBL1988300,1 6.325,2 5,3 4.173,4 2.383,5 1.532,6 19.441,7 1.391,8 1.391,9 217.735,10 3.206,11 3.206,12 186.275,13 1.474,14 117.879,15 9.713,16 3.068,17 2.485,18 3.199,19 1.759,20 1.759,21 5.731,22 67.929,23 67.929,24 2.791,25 4.863,26 4.863,27 9.619,28 2.891,29 194.809,30 467.093,31 25.005,32 2.934,33 8.741,34 2.911,35 2.981,36 6,37 15.702,38 2.974,39 2.686,40 4.078,41 1.181,42 1.146,43 4.688,44 1.611,45 33.245,46 2.825,47 3.679,48 29.656,49 2.769,50 1.111,51 1.196,52 16000,53 2.796,54 2.087,55 26.944,56 0.946,57 2.776,58 0.218,59 8.29,60 3.612,61 49.812,62 4.131,63 112,64 17.11,65 11.028,66 5.078,67 3.032,68 0.053,69 19.087,70 6.5}
{0 CHEMBL1988370,1 25.129,2 25.865,3 4.414,4 2.521,5 1.692,6 22.907,7 1.558,8 1.558,9 239.479,10 4.059,11 4.059,12 201.007,13 1.507,14 137.395,15 12.349,16 3.266,17 2.421,18 3.354,19 2.163,20 2.163,21 7.351,22 91.658,23 91.658,24 2.928,25 6.401,26 6.401,27 13.517,28 2.904,29 243.689,30 586.362,31 37.294,32 3.091,33 8.963,34 3.049,35 3.133,36 3,37 19.437,38 3.217,39 3.109,40 4.149,41 1.498,42 1.417,43 5.206,44 2.038,45 43.381,46 3.03,47 3.989,48 31.832,49 2.867,50 1.522,51 1.521,52 24601,53 3.035,54 2.341,55 43.516,56 1.327,57 2.868,58 0.681,59 8.113,60 3.835,61 58.84,62 4.061,63 174,64 21.637,65 13.093,66 5.179,67 3.009,68 0.951,69 22.907,70 5.7}
{0 CHEMBL1988387,1 23.089,2 28.448,3 4.651,4 2.722,5 2.295,6 24.01,7 1.83,8 1.83,9 270.955,10 4.976,11 4.976,12 242.363,13 1.818,14 135.961,15 11.631,16 3.293,17 2.86,18 3.518,19 2.16,20 2.16,21 6.445,22 103.167,23 103.167,24 3.034,25 6.316,26 6.316,27 12.616,28 3.195,29 237.841,30 572.093,31 36.424,32 3.278,33 9.6,34 3.131,35 3.224,36 4,37 19.722,38 3.249,39 3.101,40 4.298,41 1.29,42 1.334,43 5.222,44 2.029,45 39.557,46 2.95,47 4.415,48 42.583,49 2.926,50 1.878,51 1.414,52 39748,53 2.991,54 2.324,55 48.108,56 1.21,57 2.913,58 0.321,59 10.329,60 3.737,61 62.254,62 4.136,63 212,64 24.162,65 13.065,66 5.256,67 3.337,68 0.856,69 25.233,70 7.3}
{0 CHEMBL1988437,1 7.851,2 5.913,3 3.634,4 2.324,5 1.509,6 19.7,7 1.348,8 1.348,9 201.784,10 3.112,11 3.112,12 180.387,13 1.397,14 114.788,15 9.623,16 3.043,17 2.214,18 3.003,19 1.508,20 1.508,21 5.317,22 72.918,23 72.918,24 2.789,25 3.78,26 3.78,27 8.362,28 2.805,29 199.404,30 478.306,31 21.084,32 2.982,33 7.657,34 2.919,35 2.964,36 3,37 16.033,38 2.988,39 2.495,40 4.064,41 1.196,42 1.089,43 4.209,44 1.488,45 33.455,46 2.85,47 3.574,48 29.3,49 2.775,50 1.318,51 1.196,52 17078,53 2.82,54 1.949,55 31.077,56 0.986,57 2.789,58 0.241,59 8.308,60 3.596,61 47.116,62 4.04,63 118,64 18.33,65 10.313,66 5.007,67 2.901,68 0.554,69 19.347,70 7.2}
{0 CHEMBL1988537,1 16.56,2 18.34,3 3.629,4 2.198,5 1.787,6 18.242,7 1.197,8 1.197,9 216.412,10 2.915,11 2.915,12 186.704,13 1.24,14 99.724,15 8.771,16 2.925,17 2.095,18 2.929,19 1.481,20 1.481,21 5.53,22 66.605,23 66.605,24 2.688,25 3.499,26 3.499,27 7.603,28 2.702,29 175.222,30 419.302,31 18.134,32 2.944,33 8.562,34 2.85,35 2.883,37 14.843,38 2.854,39 2.443,40 4.283,41 1.111,42 0.99,43 4.202,44 1.399,45 28.994,46 2.735,47 3.414,48 26.572,49 2.709,50 1.157,51 1.073,52 11129,53 2.715,54 1.86,55 18.326,56 0.886,57 2.719,58 0.208,59 7.364,60 3.465,61 44.183,62 3.986,63 103,64 16.308,65 9.829,66 4.902,67 2.802,68 0.021,69 17.389,70 5.7}
{0 CHEMBL1988594,1 22.405,2 31.522,3 3.757,4 2.366,5 1.757,6 20.571,7 1.38,8 1.38,9 210.856,10 2.991,11 2.991,12 190.174,13 1.383,14 112.693,15 9.501,16 3.078,17 2.51,18 3.279,19 1.859,20 1.859,21 4.963,22 79.185,23 79.185,24 2.755,25 4.962,26 4.962,27 7.825,28 2.847,29 197.804,30 474.402,31 22.802,32 2.87,33 7.693,34 2.854,35 2.925,36 1,37 15.864,38 2.974,39 2.834,40 4.056,41 1.181,42 1.107,43 4.623,44 1.712,45 32.398,46 2.75,47 3.569,48 32.644,49 2.715,50 1.14,51 1.167,52 21074,53 2.753,54 2.122,55 31.275,56 0.886,57 2.735,58 0.218,59 8.815,60 3.54,61 48.777,62 4.045,63 130,64 19.148,65 10.399,66 5.04,67 2.939,68 0.508,69 20.217,70 5.7}
{0 CHEMBL1988608,1 22.035,2 34.011,3 4.362,4 2.376,5 1.826,6 19.673,7 1.44,8 1.44,9 192.971,10 4.166,11 4.166,12 165.359,13 1.455,14 105.617,15 8.572,16 3.015,17 2.301,18 3.083,19 1.562,20 1.562,21 4.229,22 74.843,23 74.843,24 2.733,25 4.452,26 4.452,27 6.562,28 2.929,29 186.803,30 447.558,31 17.485,32 2.839,33 6.3,34 2.899,35 2.987,36 7,37 14.97,38 2.954,39 2.517,40 3.903,41 1.183,42 1.166,43 4.804,44 1.507,45 30.96,46 2.821,47 3.5,48 29.49,49 2.73,50 1.303,51 1.19,52 17877,53 2.819,54 2.179,55 26.633,56 1.007,57 2.741,58 0.231,59 8.108,60 3.482,61 48.297,62 3.999,63 114,64 18.107,65 10.338,66 5.024,67 3.034,68 0.399,69 19.673,70 5.7}
{0 CHEMBL1988717,1 22.502,2 29.401,3 4.714,4 2.59,5 2.142,6 22.949,7 1.644,8 1.644,9 263.901,10 4.842,11 4.842,12 232.301,13 1.866,14 128.671,15 10.658,16 3.295,17 2.818,18 3.503,19 2.122,20 2.122,21 5.481,22 98.47,23 98.47,24 2.904,25 6.259,26 6.259,27 8.456,28 3.058,29 227.909,30 547.857,31 27.712,32 3.189,33 8.221,34 3.039,35 3.137,36 2,37 18.784,38 3.244,39 3.084,40 4.278,41 1.265,42 1.302,43 5.218,44 2.03,45 37.642,46 2.965,47 4.448,48 45.178,49 2.806,50 1.722,51 1.326,52 39968,53 3.012,54 2.435,55 47.469,56 1.09,57 2.817,58 0.265,59 10.517,60 3.663,61 62.716,62 4.005,63 176,64 23.704,65 13.434,66 5.277,67 3.335,68 0.852,69 25.449,70 6.2}
{0 CHEMBL1988838,1 28.574,2 45.114,3 4.167,4 2.357,5 1.617,6 21.975,7 1.421,8 1.421,9 231.918,10 3.755,11 3.755,12 207.429,13 1.474,14 112.858,15 10.269,16 3.141,17 2.617,18 3.374,19 2,20 2,21 4.8,22 91.534,23 91.534,24 2.696,25 5.029,26 5.029,27 8.146,28 2.826,29 209.452,30 502.824,31 24.794,32 2.97,33 7.11,34 2.869,35 2.957,36 6,37 16.81,38 3.069,39 2.965,40 4.08,41 1.191,42 1.138,43 4.603,44 1.914,45 33.83,46 2.827,47 3.491,48 34.889,49 2.715,50 1.396,51 1.253,52 23241,53 2.854,54 2.218,55 34.933,56 0.973,57 2.735,58 0.237,59 8.688,60 3.553,61 48.225,62 4.052,63 150,64 21.677,65 9.9,66 5.04,67 2.982,68 0.172,69 21.725,70 6.8}
{0 CHEMBL1989029,1 15.478,2 19.632,3 3.153,4 1.582,5 1.226,6 14.113,7 0.621,8 0.621,9 136.67,10 1.445,11 1.445,12 117.695,13 1.051,14 77.838,15 6.441,16 2.789,17 1.812,18 2.736,19 1.285,20 1.285,21 2.954,22 55.563,23 55.563,24 2.499,25 3.195,26 3.195,27 4.744,28 2.27,29 140.359,30 334.236,31 13.687,32 2.54,33 4.675,34 2.665,35 2.698,36 4,37 11.291,38 2.724,39 2.268,40 3.574,41 1.07,42 1.003,43 3.942,44 1.261,45 23.495,46 2.508,47 2.824,48 17.598,49 2.36,50 0.53,51 1.069,52 5952,53 2.515,54 1.501,55 12.51,56 0.902,57 2.309,58 0.114,59 5.355,60 3.203,61 34.318,62 3.963,63 51,64 12.943,65 7.16,66 4.652,67 2.564,68 -1,69 14.113,70 5.7}
{0 CHEMBL1989423,1 7.276,2 10.294,3 2,4 0.066,5 -0.738,6 7.966,7 -0.93,8 -0.93,9 86.747,10 -2.347,11 -2.347,12 71.108,13 -0.817,14 48.438,15 4.055,16 1.939,17 0.098,18 1.388,19 0.077,20 0.077,21 2.385,22 27.219,23 27.219,24 0.869,25 0.194,26 0.194,27 2.366,28 0.467,29 83.465,30 195.415,31 6.604,32 1.702,33 3.287,34 1.466,35 1.682,37 6.541,38 1.846,39 1.063,40 2.99,41 0.302,42 0.098,43 2.822,44 0.076,45 14.296,46 1.608,47 1.612,48 8.261,49 0.956,50 -1.306,51 0.148,52 1386,53 1.624,54 1.079,55 4.167,57 1.038,59 3.497,60 2.806,61 21.517,62 4.014,63 14,64 6.151,65 4.841,66 4.23,67 0.628,69 7.966,70 4.7}
{0 CHEMBL1989474,1 4.79,2 3.162,3 3.247,4 1.75,5 1,6 12.372,7 0.798,8 0.798,9 127.848,10 2.136,11 2.136,12 110.797,13 0.939,14 71.083,15 5.798,16 2.852,17 1.5,18 2.5,19 1,20 1,21 2.804,22 47.85,23 47.85,24 2.392,25 2.275,26 2.275,27 4.028,28 2.279,29 127.839,30 303.688,31 10.029,32 2.626,33 4.603,34 2.53,35 2.625,37 10.286,38 2.771,39 2,40 3.506,41 1.052,42 0.808,43 3.457,44 1,45 21.006,46 2.582,47 2.601,48 18.457,49 2.286,50 0.314,51 1.022,52 5587,53 2.582,54 1.545,55 12.294,56 0.758,57 2.264,58 0.019,59 5.863,60 3.103,61 32.352,62 3.942,63 55,64 11.699,65 6.82,66 4.618,67 2.5,68 -1,69 13.242,70 5.7}
{0 CHEMBL1989518,1 5.204,2 5.612,3 2.481,4 1.15,5 0.728,6 12.632,7 0.272,8 0.272,9 98.93,10 0.439,11 0.439,12 91.012,13 0.594,14 71.612,15 5.743,16 2.774,17 1.428,18 2.433,19 1,20 1,21 2.295,22 49.804,23 49.804,24 2.363,25 2.136,26 2.136,27 4.52,28 1.381,29 134.164,30 319.12,31 12.601,32 2.593,33 3.517,34 2.612,35 2.726,36 1,37 9.99,38 2.698,39 1.984,40 3.297,41 0.97,42 0.913,43 3.247,44 0.983,45 22.04,46 2.495,47 2.297,48 15.404,49 2.284,50 -0.265,51 0.922,52 5091,53 2.511,54 1.315,55 13.802,56 0.666,57 2.281,58 0.036,59 5.32,60 3.112,61 26.958,62 3.867,63 60,64 12.431,65 5.565,66 4.431,67 2.304,68 -1.338,69 12.632,70 5.7}
{0 CHEMBL1989646,1 12.138,2 15.495,3 3.583,4 2.085,5 1.31,6 15.811,7 1.12,8 1.12,9 163.323,10 2.761,11 2.761,12 136.435,13 1.161,14 93.752,15 7.402,16 2.998,17 1.906,18 2.78,19 1.317,20 1.317,21 4.023,22 57.134,23 57.134,24 2.687,25 3.233,26 3.233,27 5.967,28 2.562,29 158.686,30 378.953,31 18.556,32 2.713,33 5.809,34 2.854,35 2.925,37 12.692,38 2.891,39 2.296,40 3.756,41 1.181,42 1.086,43 4.045,44 1.287,45 26.841,46 2.735,47 3.247,48 22.024,49 2.618,50 1,51 1.107,52 9122,53 2.715,54 1.783,55 18.805,56 0.886,57 2.602,58 0.218,59 6.725,60 3.353,61 40.489,62 4.021,63 77,64 13.976,65 9.068,66 4.846,67 2.611,68 -0.803,69 15.811,70 5.7}
{0 CHEMBL1989708,1 22.442,2 27.679,3 4.58,4 2.77,5 2.162,6 25.587,7 1.812,8 1.812,9 265.027,10 4.755,11 4.755,12 231.48,13 1.835,14 145.241,15 12.368,16 3.319,17 2.773,18 3.465,19 2.093,20 2.093,21 6.763,22 101.057,23 101.057,24 3.008,25 5.71,26 5.71,27 12.802,28 3.156,29 254.63,30 613.056,31 39.416,32 3.351,33 9.813,34 3.144,35 3.222,36 7,37 20.712,38 3.266,39 3.068,40 4.305,41 1.462,42 1.429,43 4.994,44 2.035,45 43.205,46 3.122,47 4.482,48 40.209,49 2.968,50 1.864,51 1.506,52 33754,53 3.11,54 2.366,55 50.25,56 1.246,57 2.986,58 0.584,59 9.718,60 3.828,61 62.251,62 4.137,63 188,64 24.286,65 12.99,66 5.256,67 3.295,68 0.853,69 25.233,70 7.6}
{0 CHEMBL1989805,1 17.343,2 18.162,3 3.73,4 2.13,5 2.46,6 19.483,7 1.159,8 1.159,9 225.179,10 2.592,11 2.592,12 191.578,13 1.309,14 98.22,15 8.588,16 3.003,17 2.093,18 3.106,19 1.623,20 1.623,21 5.287,22 72.052,23 72.052,24 2.672,25 4.411,26 4.411,27 9.343,28 2.793,29 175.951,30 421.08,31 22.617,32 2.916,33 7.986,34 2.778,35 2.832,36 3,37 14.526,38 2.912,39 2.596,40 4.159,41 1.141,42 1.158,43 4.699,44 1.555,45 28.534,46 2.645,47 3.416,48 29.425,49 2.548,50 1.581,51 1.273,52 13857,53 2.665,54 2.302,55 22.178,56 1.063,57 2.542,58 0.099,59 7.298,60 3.427,61 47.812,62 3.96,63 88,64 17.588,65 10.432,66 5.04,67 3.009,68 0.618,69 19.129,70 5.7}
{0 CHEMBL1989834,1 2.157,2 1.163,3 2.47,4 0.58,5 0.74,6 10.958,7 -0.409,8 -0.409,9 108.962,10 -1.005,11 -1.005,12 91.656,13 0.663,14 61.907,15 5.076,16 2.495,17 1.5,18 2.5,19 1,20 1,21 2.646,22 38.886,23 38.886,24 2.175,25 2.136,26 2.136,27 4.153,28 0.995,29 110.384,30 261.096,31 10.169,32 2.242,33 4.266,34 2.371,35 2.433,36 4,37 8.513,38 2.392,39 2,40 3.37,41 0.819,42 0.63,43 3.261,44 1,45 18.512,46 2.142,47 2.238,48 14.3,49 1.942,50 -0.451,51 0.757,52 3144,53 2.161,54 1.251,55 7.375,56 0.471,57 1.866,59 4.982,60 3.023,61 27.867,62 4.038,63 34,64 9.278,65 6.056,66 4.489,67 2.144,68 -1.771,69 10.958,70 4.7}
{0 CHEMBL1989856,1 7.146,2 6.908,3 3.106,4 1.392,5 1.395,6 13.569,7 0.427,8 0.427,9 140.676,10 0.968,11 0.968,12 113.537,13 0.858,14 68.799,15 5.667,16 2.779,17 1.526,18 2.806,19 1,20 1,21 3.246,22 46.019,23 46.019,24 2.322,25 2.345,26 2.345,27 4.623,28 1.956,29 124.912,30 296.545,31 13.234,32 2.615,33 5.275,34 2.428,35 2.485,36 1,37 10.084,38 2.748,39 1.992,40 3.755,41 0.907,42 0.8,43 3.686,44 0.975,45 20.21,46 2.447,47 2.601,48 20.143,49 2.263,50 0.623,51 0.961,52 5010,53 2.488,54 1.498,55 10.853,56 0.714,57 2.238,59 5.878,60 3.085,61 35.107,62 4.093,63 40,64 11.552,65 7.657,66 4.734,67 2.502,68 -1.152,69 13.569,70 5.7}
{0 CHEMBL1990254,1 8.567,2 11.74,3 3.414,4 2,5 1.128,6 16.778,7 1,8 1,9 144.184,10 2.275,11 2.275,12 126.35,13 1,14 94.747,15 7.84,16 2.925,17 1.593,18 2.57,19 1.157,20 1.157,21 3.904,22 61.425,23 61.425,24 2.687,25 2.666,26 2.666,27 8.626,28 2.5,29 175.542,30 420.083,31 23.446,32 2.687,33 5.364,34 2.854,35 2.925,36 4,37 13.223,38 2.854,39 2.136,40 3.752,41 1.181,42 1.107,43 3.499,44 1.13,45 29.563,46 2.735,47 3.247,48 24.132,49 2.715,50 1,51 1.107,52 10552,53 2.715,54 1.776,55 22.139,56 0.886,57 2.735,58 0.218,59 7.051,60 3.446,61 38.93,62 3.951,63 84,64 16.067,65 8.453,66 4.792,67 2.5,68 -0.714,69 16.778,70 5.7}
{0 CHEMBL1990288,1 12.302,2 18.958,3 4.166,4 2.352,5 1.491,6 19.631,7 1.414,8 1.414,9 214.499,10 3.769,11 3.769,12 182.447,13 1.38,14 112.445,15 9.553,16 2.975,17 2.303,18 3.1,19 1.727,20 1.727,21 4.923,22 77.368,23 77.368,24 2.688,25 4.371,26 4.371,27 8.128,28 2.885,29 198.464,30 476.013,31 22.589,32 2.762,33 7.846,34 2.854,35 2.925,36 1,37 16.158,38 2.876,39 2.705,40 4.045,41 1.232,42 1.152,43 4.574,44 1.686,45 33.75,46 2.735,47 3.521,48 33.77,49 2.715,50 1.161,51 1.276,52 19018,53 2.715,54 2.112,55 29.049,56 1.12,57 2.735,58 0.262,59 9.011,60 3.578,61 52.48,62 3.999,63 128,64 18.53,65 11.475,66 5.104,67 2.904,68 0.36,69 20.501,70 5.7}
{0 CHEMBL1990346,1 4.806,2 3.176,3 2.563,4 0.756,5 0.774,6 12.828,7 -0.122,8 -0.122,9 143.204,10 -0.273,11 -0.273,12 162.395,13 0.691,14 72.536,15 6.033,16 2.592,17 1.5,18 2.5,19 1,20 1,21 3.292,22 42.302,23 42.302,24 2.249,25 2.275,26 2.275,27 4.297,28 1.207,29 125.096,30 296.993,31 7.576,32 2.529,33 4.924,34 2.383,35 2.463,36 4,37 10.53,38 2.5,39 2,40 3.761,41 0.899,42 0.697,43 3.414,44 1,45 20.415,46 2.278,47 2.276,48 13.834,49 2.094,50 -0.403,51 0.901,52 4023,53 2.262,54 1.373,55 8.74,56 0.464,57 2.056,59 4.766,60 3.108,61 29.995,62 4.047,63 45,64 10.66,65 6.467,66 4.543,67 2.172,68 -1.682,69 11.828,70 5.7}
{0 CHEMBL1990482,1 2.824,2 2.351,3 3.151,4 1.386,5 1,6 12.535,7 0.433,8 0.433,9 122.683,10 1.138,11 1.138,12 104.792,13 0.942,14 66.006,15 5.444,16 2.729,17 1.5,18 2.5,19 1,20 1,21 2.732,22 45.281,23 45.281,24 2.04,25 2.501,26 2.501,27 3.776,28 1.939,29 121.045,30 287.11,31 11.084,32 2.58,33 4.566,34 2.251,35 2.354,36 1,37 9.421,38 2.662,39 1.984,40 3.496,41 0.928,42 0.718,43 3.479,44 0.983,45 19.762,46 2.455,47 2.449,48 17.45,49 1.976,50 0.1,51 0.895,52 4737,53 2.481,54 1.406,55 10.827,56 0.61,57 1.969,59 5.64,60 3.054,61 31.051,62 4.015,63 42,64 10.781,65 6.621,66 4.605,67 2.5,68 -1.37,69 12.535,70 5.7}
{0 CHEMBL1990496,1 16.529,2 19.072,3 4.407,4 2.618,5 1.838,6 24.2,7 1.618,8 1.618,9 231.845,10 4.318,11 4.318,12 196.984,13 1.68,14 139.236,15 11.639,16 3.221,17 2.467,18 3.247,19 1.86,20 1.86,21 6.146,22 88.287,23 88.287,24 2.983,25 5.324,26 5.324,27 12.633,28 3.118,29 248.966,30 599.236,31 34.076,32 3.02,33 9.315,34 3.119,35 3.184,36 5,37 19.556,38 3.128,39 2.834,40 4.24,41 1.411,42 1.313,43 4.795,44 1.802,45 42.858,46 2.995,47 3.768,48 40.741,49 2.893,50 1.546,51 1.396,52 26403,53 2.989,54 2.36,55 41.296,56 1.13,57 2.897,58 0.551,59 9.907,60 3.819,61 59.705,62 4.07,63 184,64 22.825,65 13.12,66 5.224,67 3.203,68 1,69 24.2,70 5.7}
{0 CHEMBL1990583,1 24.033,2 33.471,3 4.205,4 2.391,5 2.087,6 20.217,7 1.425,8 1.425,9 204.081,10 3.575,11 3.575,12 179.581,13 1.647,14 109.43,15 8.822,16 3.083,17 2.625,18 3.352,19 1.975,20 1.975,21 4.21,22 81.994,23 81.994,24 2.824,25 5.636,26 5.636,27 6.886,28 2.936,29 194.666,30 466.744,31 21.456,32 2.881,33 6.964,34 2.902,35 2.959,36 1,37 15.464,38 2.979,39 2.919,40 4.04,41 1.181,42 1.107,43 4.873,44 1.857,45 31.693,46 2.735,47 3.757,48 35.706,49 2.733,50 1.275,51 1.193,52 23943,53 2.757,54 2.173,55 32.8,56 0.886,57 2.735,58 0.218,59 9.335,60 3.481,61 50.902,62 3.958,63 126,64 19.67,65 10.72,66 5.072,67 3.135,68 0.515,69 21.087,70 5.7}
{0 CHEMBL1990884,1 20.28,2 25.585,3 4.149,4 2.403,5 2.002,6 19.836,7 1.414,8 1.414,9 205.285,10 3.626,11 3.626,12 174.691,13 1.642,14 109.399,15 8.963,16 3.156,17 2.466,18 3.222,19 1.815,20 1.815,21 4.713,22 79.26,23 79.26,24 2.815,25 5.391,26 5.391,27 8.629,28 2.861,29 196.395,30 470.963,31 25.446,32 2.942,33 6.912,34 2.95,35 3.046,36 4,37 15.915,38 3.06,39 2.797,40 4.104,41 1.316,42 1.313,43 4.909,44 1.779,45 32.961,46 2.894,47 3.956,48 32.644,49 2.734,50 1.467,51 1.344,52 18281,53 2.898,54 2.236,55 28.014,56 1.081,57 2.733,58 0.227,59 8.336,60 3.554,61 51.374,62 4.003,63 106,64 19.124,65 10.968,66 5.059,67 3.107,68 0.014,69 20.706,70 5.7}
{0 CHEMBL1990885,1 25.99,2 30.71,3 4.407,4 2.374,5 1.951,6 20.259,7 1.413,8 1.413,9 193.084,10 3.88,11 3.88,12 166.169,13 1.62,14 113.678,15 9.879,16 3.297,17 2.338,18 3.173,19 1.823,20 1.823,21 5.365,22 88.722,23 88.722,24 2.944,25 5.105,26 5.105,27 11.448,28 2.728,29 212.57,30 510.432,31 38.27,32 2.998,33 5.988,34 3.093,35 3.147,36 4,37 17.28,38 3.202,39 2.803,40 4.051,41 1.545,42 1.283,43 4.871,44 1.774,45 36.006,46 3.023,47 3.65,48 27.063,49 2.88,50 1.546,51 1.558,52 16865,53 3.002,54 2.192,55 30.19,56 1.343,57 2.856,58 0.612,59 6.772,60 3.603,61 49.823,62 3.991,63 128,64 21.284,65 10.606,66 4.961,67 3.033,68 0.375,69 21.129,70 6.4}
{0 CHEMBL1990904,1 9.533,2 13.162,3 3.609,4 2.16,5 1.546,6 17.347,7 1.232,8 1.232,9 196.204,10 2.86,11 2.86,12 165.737,13 1.43,14 100.737,15 8.931,16 2.965,17 2.27,18 3.018,19 1.528,20 1.528,21 4.403,22 68.78,23 68.78,24 2.763,25 4.394,26 4.394,27 6.342,28 2.702,29 178.34,30 426.91,31 16.98,32 2.797,33 7.151,34 2.854,35 2.925,36 1,37 14.509,38 2.895,39 2.47,40 3.939,41 1.181,42 1.107,43 4.574,44 1.438,45 30.54,46 2.75,47 3.54,48 27.762,49 2.715,50 1.173,51 1.123,52 13660,53 2.748,54 2.099,55 24.255,56 0.886,57 2.735,58 0.321,59 7.522,60 3.49,61 47.773,62 4.006,63 108,64 16.194,65 9.957,66 4.994,67 2.979,68 -0.124,69 18.217,70 5.7}
{0 CHEMBL1990912,1 7.215,2 11.409,3 3.247,4 1.703,5 1,6 13.786,7 0.744,8 0.744,9 124.048,10 1.744,11 1.744,12 108.324,13 0.953,14 80.13,15 6.516,16 2.854,17 1.5,18 2.5,19 1.163,20 1.163,21 3.135,22 52.167,23 52.167,24 2.535,25 2.611,26 2.611,27 5.688,28 2.204,29 143.028,30 340.748,31 15.349,32 2.621,33 5.014,34 2.686,35 2.768,36 3,37 10.952,38 2.77,39 2.142,40 3.557,41 1.056,42 0.921,43 3.453,44 1.136,45 24.04,46 2.537,47 2.627,48 18.484,49 2.472,50 0.641,51 1.022,52 6300,53 2.549,54 1.552,55 15.64,56 0.721,57 2.468,58 0.096,59 5.939,60 3.241,61 32.393,62 4.042,63 72,64 12.733,65 7.045,66 4.627,67 2.481,68 -1,69 13.786,70 5.7}
{0 CHEMBL1991063,1 13.185,2 11.288,3 4.04,4 2.306,5 2.007,6 21.38,7 1.414,8 1.414,9 217.406,10 3.523,11 3.523,12 194.438,13 1.441,14 116.704,15 9.974,16 3.06,17 2.248,18 3.128,19 1.871,20 1.871,21 5.476,22 80.575,23 80.575,24 2.909,25 5.251,26 5.251,27 9.509,28 2.82,29 210.794,30 506.096,31 26.616,32 3.187,33 7.324,34 2.878,35 2.938,36 3,37 17.336,38 2.994,39 2.836,40 4.237,41 1.226,42 1.132,43 4.748,44 1.743,45 35.046,46 2.841,47 4.01,48 27.387,49 2.761,50 1.278,51 1.224,52 20430,53 2.832,54 2.12,55 29.439,56 0.954,57 2.786,58 0.249,59 7.635,60 3.613,61 49.433,62 4.034,63 125,64 20.019,65 10.813,66 5.014,67 2.944,68 0.166,69 20.38,70 5.7}
{0 CHEMBL1991078,1 23.134,2 32.19,3 4.322,4 2.483,5 2.009,6 23.493,7 1.496,8 1.496,9 237.239,10 3.998,11 3.998,12 201.101,13 1.476,14 129.082,15 10.603,16 3.314,17 2.664,18 3.33,19 1.925,20 1.925,21 5.46,22 90.743,23 90.743,24 2.95,25 5.921,26 5.921,27 9.287,28 2.919,29 228.31,30 548.837,31 28.777,32 3.051,33 8.507,34 3.105,35 3.174,36 1,37 18.649,38 3.247,39 2.879,40 4.179,41 1.515,42 1.399,43 5.042,44 1.834,45 38.489,46 2.952,47 4.16,48 39.508,49 2.921,50 1.563,51 1.528,52 29175,53 2.96,54 2.447,55 42.363,56 1.203,57 2.927,58 0.537,59 10.202,60 3.687,61 58.285,62 4.021,63 174,64 21.985,65 12.951,66 5.203,67 2.939,68 0.934,69 23.493,70 6.8}
{0 CHEMBL1991138,1 23.655,2 23.807,3 4.414,4 2.523,5 1.699,6 22.907,7 1.558,8 1.558,9 240.422,10 4.059,11 4.059,12 201.285,13 1.509,14 135.731,15 12.363,16 3.264,17 2.421,18 3.354,19 2.163,20 2.163,21 7.282,22 91.658,23 91.658,24 2.968,25 6.401,26 6.401,27 13.282,28 2.904,29 243.689,30 586.362,31 35.256,32 3.087,33 8.963,34 3.091,35 3.173,36 3,37 19.437,38 3.209,39 3.112,40 4.157,41 1.455,42 1.406,43 5.206,44 2.049,45 43.381,46 3.024,47 3.989,48 31.747,49 2.92,50 1.523,51 1.46,52 24539,53 3.028,54 2.353,55 43.516,56 1.261,57 2.918,58 0.617,59 8.066,60 3.835,61 58.84,62 4.036,63 174,64 21.637,65 13.093,66 5.179,67 3.009,68 0.952,69 22.907,70 5.7}
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{0 CHEMBL1996979,1 10.775,2 13.651,3 3.721,4 2.17,5 1.356,6 16.355,7 1.181,8 1.181,9 182,10 2.731,11 2.731,12 155.427,13 1.3,14 93.764,15 7.912,16 2.98,17 2.481,18 3.212,19 1.734,20 1.734,21 4.064,22 64.832,23 64.832,24 2.687,25 4.645,26 4.645,27 6.429,28 2.667,29 167.618,30 400.748,31 15.649,32 2.83,33 6.167,34 2.854,35 2.925,36 3,37 13.462,38 2.915,39 2.706,40 3.964,41 1.118,42 1.047,43 4.633,44 1.678,45 27.915,46 2.735,47 3.5,48 29.3,49 2.715,50 1.1,51 1.107,52 13898,53 2.753,54 1.84,55 20.799,56 0.886,57 2.73,58 0.186,59 8.025,60 3.418,61 45.162,62 4.043,63 87,64 16.283,65 9.828,66 4.959,67 2.818,68 0.159,69 18.096,70 5.7}
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{0 CHEMBL1997051,1 29.871,2 44.826,3 4.841,4 2.855,5 2.592,6 29.407,7 1.879,8 1.879,9 330.716,10 5.104,11 5.104,12 288.47,13 1.937,14 166.627,15 14.419,16 3.36,17 2.9,18 3.612,19 2.31,20 2.31,21 7.51,22 124.599,23 124.599,24 3.208,25 6.947,26 6.947,27 13.114,28 3.294,29 295.607,30 713.04,31 33.513,32 3.339,33 11.57,34 3.245,35 3.314,36 1,37 24.823,38 3.326,39 3.256,40 4.538,41 1.571,42 1.488,43 5.362,44 2.175,45 49.847,46 3.154,47 4.787,48 57.852,49 3.049,50 2.19,51 1.529,52 56404,53 3.161,54 2.384,55 59.857,56 1.367,57 3.048,58 0.586,59 12.712,60 3.957,61 76.633,62 4.068,63 244,64 29.672,65 16.287,66 5.456,67 3.453,68 1.356,69 30.794,70 5.5}
{0 CHEMBL1997129,1 7.745,2 6.909,3 3.48,4 2,5 1.339,6 16.355,7 1,8 1,9 157.655,10 2.483,11 2.483,12 135.71,13 1.249,14 95.215,15 7.991,16 2.925,17 1.95,18 2.826,19 1.478,20 1.478,21 4.143,22 58.979,23 58.979,24 2.667,25 3.255,26 3.255,27 7.118,28 2.5,29 168.149,30 402.043,31 17.932,32 2.687,33 6.087,34 2.805,35 2.867,36 3,37 13.121,38 2.854,39 2.463,40 3.752,41 1.181,42 1.107,43 4.014,44 1.454,45 28.801,46 2.735,47 3.247,48 23.132,49 2.689,50 1.011,51 1.143,52 10582,53 2.715,54 1.899,55 21.319,56 0.886,57 2.705,58 0.218,59 6.939,60 3.447,61 40.737,62 3.978,63 88,64 14.766,65 8.949,66 4.862,67 2.639,68 -0.54,69 16.355,70 5.7}
{0 CHEMBL1997340,1 8.524,2 8.387,3 3.449,4 2.018,5 1.282,6 15.811,7 1.043,8 1.043,9 166.854,10 2.383,11 2.383,12 141.105,13 1.16,14 84.034,15 7.581,16 2.993,17 1.804,18 2.737,19 1.414,20 1.414,21 4.138,22 65.376,23 65.376,24 2.529,25 3.826,26 3.826,27 5.537,28 2.302,29 153.348,30 365.93,31 17.77,32 2.803,33 5.566,34 2.695,35 2.735,36 2,37 12.398,38 2.925,39 2.394,40 3.791,41 1.184,42 1.084,43 4.259,44 1.378,45 25.955,46 2.756,47 3.4,48 20.06,49 2.421,50 1.008,51 1.232,52 9716,53 2.764,54 1.803,55 17.822,56 0.933,57 2.396,58 0.246,59 5.709,60 3.315,61 40.298,62 4.013,63 65,64 14.425,65 8.975,66 4.81,67 2.531,68 -0.647,69 15.811,70 5.7}
{0 CHEMBL1997534,1 17.871,2 20.996,3 4.094,4 2.225,5 1.674,6 20.897,7 1.252,8 1.252,9 222.45,10 3.388,11 3.388,12 192.211,13 1.372,14 118.525,15 10.28,16 3.233,17 2.561,18 3.255,19 1.822,20 1.822,21 6.384,22 81.584,23 81.584,24 2.949,25 5.38,26 5.38,27 12.561,28 2.717,29 212.053,30 509.169,31 31.928,32 3.011,33 7.837,34 3.078,35 3.176,36 4,37 17.685,38 3.168,39 2.798,40 4.167,41 1.409,42 1.333,43 4.941,44 1.774,45 36.188,46 2.949,47 3.876,48 27.402,49 2.877,50 1.288,51 1.485,52 17376,53 2.947,54 2.141,55 27.929,56 1.182,57 2.887,58 0.57,59 7.423,60 3.664,61 51.079,62 4.084,63 122,64 19.807,65 11.152,66 5.039,67 2.792,68 0.266,69 20.543,70 5.7}
{0 CHEMBL1997597,1 8.618,2 5.975,3 3.414,4 1.655,5 1.019,6 15.992,7 0.676,8 0.676,9 188.161,10 1.585,11 1.585,12 162.092,13 1,14 89.807,15 8.481,16 2.925,17 1.729,18 2.657,19 1.183,20 1.183,21 4.771,22 66.818,23 66.818,24 2.622,25 3.168,26 3.168,27 7.544,28 2.125,29 158.284,30 377.973,31 20.26,32 2.687,33 5.45,34 2.725,35 2.832,36 6,37 12.814,38 2.854,39 2.161,40 3.804,41 1.114,42 1.012,43 4.015,44 1.155,45 26.148,46 2.735,47 3.222,48 21.937,49 2.519,50 0.707,51 1.107,52 8982,53 2.715,54 1.798,55 18.496,56 0.886,57 2.516,58 0.218,59 5.977,60 3.353,61 37.736,62 4.053,63 72,64 14.88,65 8.169,66 4.796,67 2.5,68 -0.887,69 15.742,70 5.7}
{0 CHEMBL1997617,1 28.063,2 34.175,3 4.451,4 2.495,5 2,6 24.485,7 1.545,8 1.545,9 254.198,10 4.167,11 4.167,12 213.753,13 1.779,14 145.54,15 13.025,16 3.289,17 2.38,18 3.338,19 2.154,20 2.154,21 7.897,22 99.685,23 99.685,24 2.927,25 6.075,26 6.075,27 17.487,28 3.015,29 260.076,30 626.346,31 48.663,32 3.063,33 10.266,34 3.111,35 3.206,36 4,37 20.884,38 3.197,39 3.123,40 4.304,41 1.513,42 1.429,43 5.041,44 2.079,45 46.148,46 2.991,47 4.38,48 34.368,49 2.91,50 1.599,51 1.471,52 29143,53 2.997,54 2.37,55 49.475,56 1.178,57 2.941,58 0.825,59 8.566,60 3.878,61 63.056,62 4.053,63 199,64 23.475,65 13.975,66 5.223,67 3.121,68 1,69 24.485,70 7.6}
{0 CHEMBL1997623,1 19.34,2 26.901,3 4.277,4 2.428,5 1.843,6 18.803,7 1.466,8 1.466,9 209.741,10 3.943,11 3.943,12 190.029,13 1.494,14 107.32,15 8.888,16 3.045,17 2.496,18 3.221,19 1.802,20 1.802,21 4.509,22 81.481,23 81.481,24 2.756,25 5.199,26 5.199,27 7.627,28 2.871,29 191.997,30 460.233,31 21.806,32 2.843,33 6.385,34 2.881,35 2.964,36 7,37 15.418,38 2.956,39 2.759,40 4.058,41 1.181,42 1.107,43 4.739,44 1.72,45 31.625,46 2.805,47 4.107,48 34.813,49 2.715,50 1.284,51 1.204,52 24645,53 2.804,54 2.277,55 32.36,56 0.979,57 2.735,58 0.218,59 8.748,60 3.513,61 51.058,62 4.034,63 124,64 19.956,65 10.843,66 5.078,67 3.006,68 0.51,69 21.303,70 5.7}
{0 CHEMBL1997764,1 11.833,2 15.343,3 3.5,4 2.029,5 1.341,6 17.933,7 1.061,8 1.061,9 173.674,10 2.581,11 2.581,12 148.644,13 1.277,14 99.795,15 8.224,16 2.976,17 1.977,18 2.838,19 1.362,20 1.362,21 4.226,22 64.849,23 64.849,24 2.687,25 3.543,26 3.543,27 7.744,28 2.558,29 178.81,30 428.056,31 20.191,32 2.817,33 6.489,34 2.854,35 2.925,36 3,37 14.192,38 2.911,39 2.342,40 3.879,41 1.181,42 1.107,43 4.108,44 1.325,45 30.256,46 2.738,47 3.414,48 28.198,49 2.715,50 1.066,51 1.107,52 13272,53 2.748,54 2.069,55 23.509,56 0.909,57 2.735,58 0.218,59 8.072,60 3.475,61 44.365,62 4.043,63 114,64 16.369,65 9.811,66 4.945,67 2.789,68 -0.138,69 17.933,70 5.7}
{0 CHEMBL1997822,1 8.74,2 6.455,3 4.48,4 2.5,5 1.935,6 21.647,7 1.517,8 1.517,9 277.374,10 4.352,11 4.352,12 236.099,13 1.596,14 124.154,15 12.141,16 3.15,17 2.698,18 3.348,19 1.925,20 1.925,21 7.388,22 81.613,23 81.613,24 2.815,25 5.339,26 5.339,27 12.824,28 3.01,29 212.863,30 511.146,31 32.162,32 2.993,33 9.887,34 2.936,35 3.011,36 5,37 18.064,38 3.073,39 2.902,40 4.261,41 1.286,42 1.217,43 4.819,44 1.843,45 36.313,46 2.935,47 4.357,48 33.61,49 2.797,50 1.517,51 1.264,52 18464,53 2.918,54 2.288,55 27.733,56 0.982,57 2.812,58 0.35,59 8.24,60 3.738,61 54.586,62 4.18,63 119,64 19.286,65 11.726,66 5.179,67 3.158,68 0.4,69 21.043,70 8.3}
{0 CHEMBL1997846,1 11.088,2 19.407,3 3.563,4 2,5 1.408,6 16.148,7 1.027,8 1.027,9 165.75,10 2.557,11 2.557,12 149.939,13 1.326,14 91.288,15 8.408,16 2.967,17 2.108,18 2.917,19 1.455,20 1.455,21 4.538,22 63.504,23 63.504,24 2.758,25 3.447,26 3.447,27 6.564,28 2.427,29 166.079,30 396.993,31 21.556,32 2.866,33 6.249,34 2.734,35 2.81,36 3,37 13.475,38 2.902,39 2.399,40 3.834,41 1.198,42 0.937,43 4.005,44 1.348,45 28.216,46 2.706,47 3.247,48 18.376,49 2.533,50 1,51 1.185,52 8700,53 2.731,54 1.578,55 17.361,56 1.023,57 2.528,58 0.303,59 5.351,60 3.403,61 39.279,62 4.006,63 75,64 14.766,65 8.462,66 4.779,67 2.527,68 -0.705,69 15.648,70 5.7}
{0 CHEMBL1997872,1 8.912,2 9.739,3 3.427,4 1.973,5 1.406,6 15.648,7 1,8 1,9 158.755,10 2.324,11 2.324,12 135.004,13 1.13,14 87.525,15 7.717,16 2.942,17 1.773,18 2.705,19 1.368,20 1.368,21 4.141,22 61.577,23 61.577,24 2.606,25 3.203,26 3.203,27 7.287,28 2.5,29 158.815,30 379.269,31 18.989,32 2.77,33 5.827,34 2.755,35 2.827,36 2,37 12.658,38 2.865,39 2.29,40 3.772,41 1.211,42 1.002,43 3.848,44 1.253,45 27.256,46 2.67,47 3.29,48 21.343,49 2.589,50 1.154,51 1.188,52 9106,53 2.682,54 1.584,55 17.183,56 1.009,57 2.587,58 0.295,59 6.297,60 3.37,61 39.561,62 4.024,63 71,64 14.279,65 8.889,66 4.804,67 2.558,68 -0.497,69 15.648,70 5.7}
{0 CHEMBL1997909,1 20.496,2 31.438,3 4.558,4 2.469,5 2.147,6 26.252,7 1.515,8 1.515,9 278.19,10 4.304,11 4.304,12 244.515,13 1.883,14 150.779,15 13.077,16 3.258,17 2.789,18 3.487,19 2.111,20 2.111,21 6.936,22 96.405,23 96.405,24 2.983,25 6.398,26 6.398,27 11.582,28 2.953,29 263.235,30 634.053,31 31.181,32 3.271,33 10.719,34 3.166,35 3.215,36 2,37 21.444,38 3.179,39 3.048,40 4.3,41 1.552,42 1.461,43 5.219,44 1.966,45 44.989,46 3.104,47 4.349,48 45.659,49 3.002,50 1.561,51 1.469,52 36126,53 3.082,54 2.353,55 49.307,56 1.35,57 3.026,58 0.603,59 11.304,60 3.886,61 65.481,62 4.067,63 214,64 24.172,65 14.199,66 5.339,67 3.324,68 1.123,69 25.899,70 5.5}
{0 CHEMBL1997924,1 24.05,2 40.707,3 3.612,4 2,5 1.542,6 17.7,7 1.142,8 1.142,9 204.145,10 2.698,11 2.698,12 177.883,13 1.383,14 107.428,15 9.583,16 2.977,17 2.091,18 2.92,19 1.499,20 1.499,21 5.08,22 68.936,23 68.936,24 2.687,25 4.192,26 4.192,27 6.308,28 2.611,29 181.608,30 434.884,31 21.341,32 2.924,33 6.744,34 2.854,35 2.925,36 3,37 14.884,38 2.899,39 2.487,40 3.922,41 1.296,42 1.108,43 4.394,44 1.481,45 31.25,46 2.735,47 3.426,48 22.804,49 2.715,50 1,51 1.42,52 13012,53 2.719,54 2.033,55 24.657,56 1.153,57 2.721,58 0.453,59 6.752,60 3.537,61 44.953,62 4.033,63 101,64 15.917,65 9.521,66 4.951,67 2.758,68 -0.219,69 17.347,70 8.5}
{0 CHEMBL1998112,1 19.544,2 28.736,3 3.796,4 2.408,5 1.568,6 20.38,7 1.427,8 1.427,9 202.27,10 3.177,11 3.177,12 171.796,13 1.453,14 106.952,15 8.828,16 3.261,17 2.22,18 2.991,19 1.615,20 1.615,21 4.508,22 78.764,23 78.764,24 2.903,25 4.455,26 4.455,27 8.614,28 2.876,29 196.395,30 470.963,31 26.447,32 3.051,33 7.278,34 3.057,35 3.129,36 1,37 15.917,38 3.182,39 2.525,40 4.069,41 1.404,42 1.226,43 4.513,44 1.465,45 32.722,46 2.932,47 3.626,48 34.077,49 2.87,50 1.309,51 1.501,52 16794,53 2.953,54 2.043,55 25.42,56 1.19,57 2.872,58 0.274,59 8.871,60 3.506,61 49.964,62 3.978,63 113,64 19.086,65 10.86,66 5.034,67 2.919,68 0.267,69 20.38,70 5.7}
{0 CHEMBL1998121,1 15.022,2 19.461,3 3.441,4 2.061,5 1.534,6 18.104,7 1.095,8 1.095,9 180.301,10 2.417,11 2.417,12 163.109,13 1.197,14 96.248,15 8.228,16 2.922,17 1.948,18 2.82,19 1.414,20 1.414,21 4.565,22 69.39,23 69.39,24 2.81,25 3.528,26 3.528,27 7.881,28 2.497,29 176.08,30 421.395,31 23.149,32 3.046,33 5.755,34 2.823,35 2.877,36 2,37 14.234,38 2.878,39 2.358,40 4.084,41 1.092,42 1.055,43 4.051,44 1.339,45 28.523,46 2.79,47 3.076,48 21.883,49 2.656,50 1.071,51 1.062,52 11310,53 2.765,54 1.705,55 18.5,56 0.868,57 2.644,58 0.164,59 6.132,60 3.4,61 40.197,62 3.993,63 74,64 17.082,65 8.701,66 4.804,67 2.597,68 -0.341,69 17.104,70 5.7}
{0 CHEMBL1998159,1 15.472,2 15.035,3 4.35,4 2.431,5 1.829,6 19.51,7 1.476,8 1.476,9 215.679,10 4.125,11 4.125,12 194.137,13 1.446,14 110.539,15 9.601,16 3.127,17 2.326,18 3.238,19 1.878,20 1.878,21 4.856,22 88.383,23 88.383,24 2.828,25 5.412,26 5.412,27 9.204,28 2.837,29 204.517,30 490.781,31 24.167,32 2.922,33 6.698,34 2.97,35 3.045,36 3,37 16.649,38 3.053,39 2.838,40 4.102,41 1.231,42 1.223,43 4.86,44 1.799,45 34.148,46 2.888,47 4.01,48 32.773,49 2.785,50 1.278,51 1.278,52 25555,53 2.89,54 2.182,55 32,56 1.024,57 2.791,58 0.26,59 8.235,60 3.578,61 52.377,62 3.994,63 115,64 21.14,65 11.113,66 5.078,67 2.968,68 0.51,69 22.01,70 5.7}
{0 CHEMBL1998193,1 20.284,2 26.661,3 3.247,4 1.956,5 1.519,6 18.452,7 1,8 1,9 139.036,10 2.136,11 2.136,12 133.085,13 1.278,14 97.856,15 8.636,16 3.07,17 1.827,18 2.813,19 1.414,20 1.414,21 3.513,22 79.585,23 79.585,24 2.681,25 3.015,26 3.015,27 6.325,28 2.5,29 193.985,30 465.083,31 25.042,32 2.794,33 4.343,34 2.82,35 2.893,36 2,37 14.572,38 2.973,39 2.37,40 3.666,41 1.245,42 1.069,43 3.573,44 1.349,45 31.796,46 2.769,47 3.247,48 22.318,49 2.653,50 1,51 1.247,52 17438,53 2.761,54 1.798,55 29.538,56 0.957,57 2.652,58 0.271,59 6.61,60 3.433,61 37.804,62 3.766,63 106,64 19.826,65 7.565,66 4.727,67 2.5,68 -0.062,69 18.452,70 5.7}
{0 CHEMBL1998545,1 8.636,2 8.45,3 3.414,4 2,5 1.13,6 17.485,7 1,8 1,9 147.708,10 2.275,11 2.275,12 131.095,13 1,14 97.844,15 8.222,16 2.925,17 1.854,18 2.782,19 1.347,20 1.347,21 4.041,22 64.456,23 64.456,24 2.687,25 2.978,26 2.978,27 8.947,28 2.5,29 182.337,30 436.661,31 23.936,32 2.687,33 5.441,34 2.854,35 2.925,36 6,37 13.8,38 2.854,39 2.334,40 3.769,41 1.181,42 1.107,43 3.578,44 1.32,45 30.773,46 2.735,47 3.247,48 24.579,49 2.715,50 1,51 1.107,52 12241,53 2.715,54 1.833,55 24.986,56 0.886,57 2.735,58 0.218,59 7.131,60 3.487,61 40.018,62 3.949,63 92,64 17.032,65 8.612,66 4.816,67 2.518,68 -0.351,69 17.485,70 5.7}
{0 CHEMBL1998585,1 19.296,2 24.778,3 4.416,4 2.455,5 2.047,6 19.156,7 1.516,8 1.516,9 242.096,10 4.079,11 4.079,12 222.754,13 1.43,14 110.765,15 9.63,16 3.107,17 2.644,18 3.393,19 1.969,20 1.969,21 5.282,22 86.061,23 86.061,24 2.754,25 5.436,26 5.436,27 8.781,28 2.91,29 194.734,30 466.91,31 22.751,32 2.968,33 7.378,34 2.866,35 2.94,36 5,37 16.313,38 3,39 2.857,40 4.22,41 1.162,42 1.107,43 4.818,44 1.718,45 31.449,46 2.812,47 4.108,48 36.507,49 2.715,50 1.539,51 1.223,52 27528,53 2.792,54 2.279,55 31.584,56 0.893,57 2.735,58 0.195,59 8.787,60 3.527,61 53.405,62 4.08,63 112,64 21.165,65 11.326,66 5.109,67 2.99,68 0.546,69 22.173,70 7.2}
{0 CHEMBL1998611,1 9.232,2 8.379,3 2.306,4 0.048,5 0.211,6 13.016,7 -1,8 -1,9 183.564,10 -2,11 -2,12 191.281,13 -0.303,14 66.929,15 5.966,16 2.009,17 0.207,18 1.467,19 0.169,20 0.169,21 4.492,22 46.2,23 46.2,24 2.068,25 0.368,26 0.368,27 3.428,28 0.496,29 116.64,30 276.362,31 20.123,32 2.208,33 5.717,34 1.634,35 1.746,36 4,37 10.54,38 2.023,39 0.9,40 4.29,41 0.142,43 2.752,44 0.092,45 17.608,46 1.805,47 1.816,48 9.904,49 1.467,50 -0.469,51 0.303,52 3193,53 1.739,54 1.17,55 7.369,57 1.599,59 3.415,60 2.98,61 26.996,62 4.13,63 25,64 11.169,65 5.643,66 4.388,67 0.889,68 -1.896,69 11.163,70 5.8}
{0 CHEMBL1998829,1 9.121,2 11.333,3 3.5,4 2.026,5 1.341,6 17.725,7 1.056,8 1.056,9 175.775,10 2.579,11 2.579,12 157.285,13 1.209,14 98.136,15 8.178,16 2.925,17 1.975,18 2.829,19 1.351,20 1.351,21 4.232,22 61.634,23 61.634,24 2.687,25 3.5,26 3.5,27 6.393,28 2.557,29 173.554,30 415.233,31 15.553,32 2.807,33 6.593,34 2.854,35 2.925,36 4,37 13.918,38 2.854,39 2.323,40 3.905,41 1.181,42 1.107,43 4.09,44 1.304,45 28.898,46 2.735,47 3.414,48 26.41,49 2.715,50 1,51 1.107,52 12472,53 2.715,54 1.916,55 21.357,56 0.886,57 2.735,58 0.218,59 7.66,60 3.45,61 42.884,62 4.043,63 97,64 15.731,65 9.403,66 4.924,67 2.77,68 -0.441,69 17.225,70 5.7}
{0 CHEMBL1999112,1 18.873,2 19.083,3 3.782,4 2.13,5 2.461,6 20.897,7 1.16,8 1.16,9 236.668,10 2.597,11 2.597,12 202.204,13 1.309,14 105.915,15 9.5,16 3.086,17 2.184,18 3.179,19 1.784,20 1.784,21 5.516,22 78.809,23 78.809,24 2.847,25 4.984,26 4.984,27 9.967,28 2.795,29 192.337,30 461.063,31 22.693,32 2.98,33 8.287,34 2.809,35 2.865,36 1,37 16.064,38 2.99,39 2.714,40 4.217,41 1.255,42 1.269,43 4.854,44 1.634,45 31.506,46 2.731,47 3.599,48 31.258,49 2.587,50 1.812,51 1.377,52 16213,53 2.769,54 2.302,55 25.12,56 1.2,57 2.562,58 0.279,59 7.503,60 3.511,61 50.679,62 3.959,63 101,64 19.496,65 11.063,66 5.078,67 3.024,68 0.618,69 20.543,70 5.7}
{0 CHEMBL1999321,1 22.114,2 30.939,3 3.595,4 2.261,5 1.678,6 20.054,7 1.28,8 1.28,9 188.549,10 2.972,11 2.972,12 163.577,13 1.386,14 112.669,15 9.266,16 2.992,17 2.044,18 2.96,19 1.607,20 1.607,21 4.478,22 73.816,23 73.816,24 2.687,25 4.497,26 4.497,27 8.333,28 2.77,29 199.064,30 477.475,31 21.011,32 2.841,33 6.546,34 2.854,35 2.925,36 1,37 15.592,38 2.917,39 2.581,40 3.908,41 1.181,42 1.107,43 4.822,44 1.558,45 33.472,46 2.735,47 3.477,48 30.469,49 2.715,50 1.377,51 1.107,52 20938,53 2.715,54 2.024,55 33.66,56 0.886,57 2.735,58 0.218,59 8.617,60 3.57,61 48.167,62 3.903,63 132,64 18.913,65 10.568,66 5.014,67 2.866,68 0.493,69 20.054,70 5.7}
{0 CHEMBL1999428,1 8.707,2 12.096,3 3.366,4 2,5 1.126,6 16.071,7 1,8 1,9 138.324,10 2.136,11 2.136,12 121.656,13 1,14 91.545,15 7.601,16 2.925,17 1.573,18 2.559,19 1.106,20 1.106,21 3.808,22 56.162,23 56.162,24 2.687,25 2.646,26 2.646,27 8.37,28 2.5,29 168.748,30 403.505,31 21.595,32 2.687,33 4.99,34 2.854,35 2.925,36 1,37 12.938,38 2.854,39 2.074,40 3.688,41 1.181,42 1.107,43 3.495,44 1.068,45 28.557,46 2.735,47 3.247,48 22.559,49 2.715,50 1,51 1.107,52 9488,53 2.715,54 1.731,55 21.07,56 0.886,57 2.735,58 0.218,59 6.778,60 3.423,61 37.456,62 3.95,63 77,64 15.142,65 8.136,66 4.766,67 2.5,68 -0.823,69 16.071,70 5.7}
{0 CHEMBL1999496,1 21.736,2 33.345,3 3.517,4 2.157,5 1.519,6 18.148,7 1.157,8 1.157,9 177.324,10 2.572,11 2.572,12 147.656,13 1.287,14 103.679,15 8.946,16 3.171,17 2.085,18 2.931,19 1.552,20 1.552,21 5.087,22 63.929,23 63.929,24 2.687,25 4.147,26 4.147,27 11.637,28 2.638,29 190.132,30 455.681,31 27.632,32 2.915,33 6.519,34 2.854,35 2.925,36 4,37 15.068,38 3.095,39 2.527,40 3.893,41 1.332,42 1.109,43 4.558,44 1.513,45 33.08,46 2.874,47 3.49,48 25.318,49 2.715,50 1.191,51 1.284,52 10904,53 2.894,54 2.128,55 21.923,56 1.069,57 2.735,58 0.485,59 6.927,60 3.589,61 45.962,62 4.07,63 99,64 16.689,65 9.409,66 4.938,67 2.8,68 -0.131,69 18.148,70 5.7}
{0 CHEMBL1999556,1 2.824,2 2.351,3 3.211,4 1.37,5 1,6 12.889,7 0.47,8 0.47,9 142.654,10 1.268,11 1.268,12 126.252,13 0.932,14 72.78,15 6.299,16 2.645,17 1.5,18 2.543,19 1,20 1,21 3.858,22 46.084,23 46.084,24 2.239,25 2.454,26 2.454,27 4.898,28 1.956,29 128.18,30 304.518,31 11.431,32 2.555,33 5.402,34 2.339,35 2.428,36 1,37 10.276,38 2.577,39 2,40 3.685,41 0.926,42 0.695,43 3.53,44 1,45 21.159,46 2.493,47 2.465,48 16.098,49 2.016,50 0.116,51 0.932,52 4659,53 2.452,54 1.417,55 10.519,56 0.718,57 2.074,59 5.225,60 3.184,61 31.077,62 4.111,63 42,64 11.209,65 6.646,66 4.605,67 2.5,68 -1.184,69 12.535,70 5.8}
{0 CHEMBL1999590,1 13.843,2 13.388,3 3.477,4 2,5 1.328,6 17.769,7 1.036,8 1.036,9 174.117,10 2.51,11 2.51,12 151.061,13 1.205,14 102.142,15 8.065,16 2.925,17 2.075,18 2.967,19 1.445,20 1.445,21 3.685,22 66.257,23 66.257,24 2.681,25 3.18,26 3.18,27 5.549,28 2.517,29 176.012,30 421.229,31 16.231,32 2.687,33 6.072,34 2.793,35 2.869,36 2,37 14.073,38 2.854,39 2.411,40 3.773,41 1.181,42 1.107,43 3.925,44 1.394,45 29.296,46 2.735,47 3.453,48 27.206,49 2.621,50 1,51 1.208,52 13645,53 2.715,54 1.967,55 25.349,56 0.895,57 2.613,58 0.218,59 8.124,60 3.41,61 43.09,62 3.938,63 102,64 16.246,65 9.283,66 4.931,67 2.737,68 -0.323,69 17.769,70 5.7}
{0 CHEMBL1999714,1 17.388,2 29.596,3 2.784,4 0.853,5 0.675,6 11.828,7 -0.109,8 -0.109,9 115.517,10 -0.291,11 -0.291,12 98.322,13 0.32,14 66.782,15 5.52,16 2.697,17 1.478,18 2.529,19 1,20 1,21 2.864,22 42.559,23 42.559,24 2.207,25 2.481,26 2.481,27 5.147,28 1.156,29 119.976,30 284.502,31 14.292,32 2.467,33 4.65,34 2.445,35 2.539,37 9.45,38 2.624,39 2.014,40 3.606,41 0.949,42 0.595,43 3.565,44 1.009,45 20.273,46 2.378,47 2.353,48 15.669,49 2.231,50 -0.027,51 0.909,52 3451,53 2.398,54 1.473,55 8.401,56 0.608,57 2.253,59 5.064,60 3.102,61 29.336,62 3.943,63 33,64 10.209,65 6.381,66 4.522,67 1.644,68 -1.427,69 11.828,70 5.7}
{0 CHEMBL1999718,1 19.502,2 24.828,3 3.414,4 1.959,5 1.801,6 16.234,7 1,8 1,9 177.297,10 2.275,11 2.275,12 163.696,13 1.295,14 86.281,15 7.268,16 2.963,17 2.372,18 3.109,19 1.647,20 1.647,21 3.452,22 67.047,23 67.047,24 2.622,25 4.45,26 4.45,27 5.115,28 2.811,29 161.021,30 384.651,31 13.547,32 2.837,33 5.422,34 2.76,35 2.847,36 3,37 13.003,38 2.909,39 2.594,40 3.923,41 0.979,42 0.991,43 4.524,44 1.547,45 25.341,46 2.723,47 3.396,48 30.585,49 2.559,50 1.043,51 1.057,52 16623,53 2.744,54 1.987,55 24.923,56 0.832,57 2.546,58 0.067,59 7.897,60 3.279,61 42.865,62 4.008,63 118,64 17.509,65 9.006,66 4.951,67 2.928,68 0.378,69 18.734,70 5.7}
{0 CHEMBL1999749,1 30.181,2 43.862,3 4.991,4 2.851,5 2.247,6 27.761,7 1.893,8 1.893,9 292.574,10 5.683,11 5.683,12 244.213,13 1.923,14 160.496,15 14.036,16 3.377,17 2.968,18 3.6,19 2.255,20 2.255,21 8.192,22 106.129,23 106.129,24 3.1,25 6.708,26 6.708,27 15.24,28 3.195,29 283.339,30 683.106,31 39.88,32 3.184,33 11.334,34 3.251,35 3.316,36 2,37 22.903,38 3.312,39 3.205,40 4.367,41 1.577,42 1.526,43 5.294,44 2.135,45 50.046,46 3.095,47 4.4,48 45.491,49 2.997,50 1.963,51 1.538,52 47581,53 3.106,54 2.435,55 65.334,56 1.326,57 2.98,58 0.805,59 11.017,60 3.984,61 72.116,62 4.046,63 289,64 25.97,65 15.837,66 5.386,67 3.333,68 1.077,69 27.761,70 5.7}
{0 CHEMBL1999774,1 16.708,2 19.487,3 3.306,4 1.69,5 1.419,6 17.223,7 0.73,8 0.73,9 179.286,10 1.728,11 1.728,12 153.045,13 1.088,14 84.873,15 7.675,16 2.92,17 1.799,18 2.755,19 1.345,20 1.345,21 4.745,22 72.032,23 72.032,24 2.654,25 3.592,26 3.592,27 7.28,28 1.757,29 162.41,30 388.04,31 30.572,32 2.83,33 5.832,34 2.804,35 2.876,36 1,37 13.339,38 2.831,39 2.297,40 4.086,41 0.969,42 1.022,43 4.4,44 1.247,45 26.574,46 2.568,47 3.206,48 20.655,49 2.541,50 0.772,51 1.1,52 9019,53 2.553,54 1.952,55 17.52,56 0.82,57 2.53,58 0.055,59 5.348,60 3.31,61 40.954,62 3.992,63 77,64 16.242,65 9.005,66 4.76,67 2.452,68 -0.746,69 16.723,70 5.7}
{0 CHEMBL1999811,1 13.263,2 15.16,3 3.393,4 2,5 1.422,6 16.587,7 1,8 1,9 168.901,10 2.232,11 2.232,12 152.189,13 1.06,14 86.831,15 7.197,16 2.918,17 2.065,18 2.951,19 1.511,20 1.511,21 3.461,22 65.252,23 65.252,24 2.576,25 3.652,26 3.652,27 4.585,28 2.5,29 153.628,30 366.611,31 15.641,32 2.766,33 5.36,34 2.681,35 2.72,36 2,37 12.411,38 2.863,39 2.467,40 3.789,41 1.009,42 0.955,43 4.095,44 1.436,45 24.324,46 2.674,47 3.185,48 23.266,49 2.407,50 0.879,51 1.081,52 11824,53 2.695,54 1.868,55 17.705,56 0.883,57 2.363,59 6.84,60 3.221,61 37.799,62 3.967,63 80,64 15.491,65 8.059,66 4.787,67 2.645,68 -0.558,69 16.234,70 5.7}
{0 CHEMBL1999918,1 5.614,2 3.628,3 3.318,4 1.451,5 1.365,6 14.759,7 0.568,8 0.568,9 212.348,10 1.515,11 1.515,12 217.784,13 0.933,14 80.835,15 7.409,16 2.656,17 2.104,18 2.92,19 1.451,20 1.451,21 4.711,22 57.651,23 57.651,24 2.537,25 3.473,26 3.473,27 5.036,28 2.014,29 142.49,30 339.435,31 11.102,32 2.838,33 6.06,34 2.341,35 2.429,36 1,37 12.764,38 2.616,39 2.398,40 4.305,41 0.779,42 0.658,43 4.05,44 1.359,45 22.387,46 2.596,47 2.887,48 18.902,49 2.021,50 0.659,51 0.878,52 8248,53 2.519,54 1.483,55 13.116,56 0.699,57 2.074,59 5.48,60 3.234,61 37.327,62 4.113,63 55,64 14.394,65 8.299,66 4.745,67 2.543,68 -1,69 15.146,70 6.1}
{0 CHEMBL1999931,1 15.901,2 24.25,3 3.997,4 2.298,5 1.563,6 20.338,7 1.321,8 1.321,9 206.149,10 3.209,11 3.209,12 175.344,13 1.476,14 116.156,15 9.551,16 3.104,17 2.445,18 3.18,19 1.687,20 1.687,21 4.85,22 73.468,23 73.468,24 2.757,25 4.111,26 4.111,27 6.78,28 2.784,29 201.133,30 482.525,31 20.754,32 2.911,33 7.58,34 2.862,35 2.925,36 2,37 15.987,38 3.038,39 2.689,40 3.986,41 1.215,42 1.107,43 4.352,44 1.681,45 34.057,46 2.899,47 3.576,48 33.227,49 2.723,50 1.323,51 1.279,52 20366,53 2.896,54 2.103,55 34.329,56 1.066,57 2.735,58 0.25,59 9.218,60 3.599,61 51.207,62 4.021,63 134,64 18.286,65 11.371,66 5.11,67 2.939,68 0.674,69 20.338,70 6.4}
{0 CHEMBL2000071,1 8.984,2 14.205,3 3.247,4 1.816,5 1,6 13.786,7 0.899,8 0.899,9 128.49,10 1.963,11 1.963,12 110.489,13 0.957,14 80.595,15 6.621,16 2.923,17 1.5,18 2.5,19 1,20 1,21 3.182,22 55.514,23 55.514,24 2.49,25 2.469,26 2.469,27 5.449,28 2.203,29 143.157,30 341.063,31 16.803,32 2.687,33 4.959,34 2.643,35 2.719,36 5,37 11.004,38 2.854,39 2,40 3.572,41 1.116,42 0.907,43 3.495,44 1,45 24.046,46 2.661,47 2.811,48 17.613,49 2.435,50 0.685,51 1.107,52 5885,53 2.664,54 1.53,55 14.52,56 0.886,57 2.43,58 0.126,59 5.585,60 3.221,61 33.143,62 4.021,63 74,64 12.943,65 7.037,66 4.615,67 2.5,68 -1,69 13.786,70 5.8}
{0 CHEMBL2000078,1 33.98,2 52.817,3 4.859,4 2.967,5 2.476,6 31.65,7 2.039,8 2.039,9 337.167,10 5.588,11 5.588,12 295.351,13 2.073,14 180.452,15 16.121,16 3.54,17 2.893,18 3.627,19 2.354,20 2.354,21 8.43,22 127.602,23 127.602,24 3.342,25 7.231,26 7.231,27 16.172,28 3.385,29 318.59,30 769.12,31 44.225,32 3.414,33 13.111,34 3.455,35 3.494,36 2,37 26.166,38 3.477,39 3.309,40 4.518,41 1.592,42 1.603,43 5.474,44 2.216,45 54.949,46 3.281,47 4.552,48 56.257,49 3.26,50 2.064,51 1.665,52 60334,53 3.294,54 2.438,55 68.028,56 1.456,57 3.265,58 0.825,59 12.673,60 4.058,61 78.875,62 4.069,63 288,64 30.36,65 17.067,66 5.486,67 3.491,68 1.4,69 31.296,70 5.5}
{0 CHEMBL2000104,1 6.559,2 5.174,3 3.414,4 1.958,5 1.324,6 17.216,7 1,8 1,9 220.82,10 2.275,11 2.275,12 194.552,13 1,14 91.282,15 9.396,16 2.925,17 2.002,18 2.855,19 1.365,20 1.365,21 6.428,22 66.692,23 66.692,24 2.687,25 3.447,26 3.447,27 7.664,28 2.5,29 166.488,30 397.99,31 17.414,32 2.846,33 6.508,34 2.854,35 2.885,36 1,37 13.947,38 2.854,39 2.312,40 4.057,41 1.121,42 1.023,43 4.033,44 1.277,45 27.239,46 2.739,47 3.299,48 23.228,49 2.715,50 0.944,51 1.107,52 9999,53 2.729,54 1.745,55 18.522,56 0.886,57 2.735,58 0.171,59 5.987,60 3.449,61 40.142,62 4.15,63 75,64 15.942,65 8.785,66 4.86,67 2.543,68 -0.515,69 16.613,70 5.7}
{0 CHEMBL2000114,1 11.313,2 16.481,3 2.33,4 0.697,5 0.872,6 11.734,7 -0.202,8 -0.202,9 114.801,10 -0.361,11 -0.361,12 105.43,13 0.239,14 68.365,15 6.298,16 2.459,17 0.758,18 1.804,19 0.69,20 0.69,21 3.043,22 52.684,23 52.684,24 2.118,25 1.211,26 1.211,27 4.665,28 1.027,29 122.502,30 290.664,31 15.532,32 2.21,33 3.951,34 2.297,35 2.381,36 2,37 9.842,38 2.351,39 1.562,40 3.504,41 0.865,42 0.593,43 2.873,44 0.594,45 19.932,46 2.182,47 2,48 10.906,49 1.953,50 -0.038,51 0.869,52 3415,53 2.168,54 1.108,55 9.625,56 0.487,57 1.962,59 3.642,60 3.025,61 25.659,62 3.971,63 50,64 11.547,65 5.394,66 4.311,67 1.471,68 -1.676,69 11.38,70 5.7}
{0 CHEMBL2000271,1 13.036,2 13.685,3 3.593,4 2.195,5 1.506,6 19.347,7 1.236,8 1.236,9 179.955,10 3.036,11 3.036,12 155.066,13 1.413,14 112.035,15 9.496,16 3.127,17 2.172,18 2.97,19 1.523,20 1.523,21 4.977,22 74.342,23 74.342,24 2.837,25 4.166,26 4.166,27 10.493,28 2.705,29 203.72,30 488.837,31 27.578,32 2.885,33 6.784,34 2.981,35 3.061,36 4,37 15.93,38 3.051,39 2.482,40 3.926,41 1.303,42 1.243,43 4.359,44 1.458,45 35.091,46 2.871,47 3.49,48 26.432,49 2.743,50 1.13,51 1.291,52 15801,53 2.862,54 2.118,55 27.367,56 1.049,57 2.735,58 0.464,59 7.519,60 3.615,61 46.696,62 4.034,63 114,64 18.516,65 10.254,66 4.966,67 2.839,68 -0.036,69 19.347,70 5.7}
{0 CHEMBL2000335,1 18.168,2 24.827,3 4.04,4 2.414,5 1.634,6 20.027,7 1.414,8 1.414,9 206.864,10 3.521,11 3.521,12 183.906,13 1.414,14 114.657,15 9.624,16 3.184,17 2.478,18 3.254,19 1.806,20 1.806,21 5.504,22 76.507,23 76.507,24 2.898,25 4.929,26 4.929,27 10.512,28 2.82,29 199.533,30 478.621,31 31.339,32 2.932,33 7.634,34 2.993,35 3.1,36 6,37 16.301,38 3.114,39 2.8,40 4.052,41 1.251,42 1.216,43 4.64,44 1.713,45 33.461,46 2.942,47 3.81,48 29.139,49 2.759,50 1.088,51 1.33,52 17392,53 2.927,54 2.138,55 27.929,56 1.072,57 2.76,58 0.232,59 7.986,60 3.585,61 48.421,62 4.08,63 114,64 18.541,65 10.476,66 5.014,67 2.978,68 0.172,69 19.673,70 6.6}
{0 CHEMBL2000345,1 12.47,2 10.169,3 3.474,4 1.718,5 1.615,6 18.267,7 0.894,8 0.894,9 193.367,10 1.902,11 1.902,12 201.71,13 1.195,14 95.7,15 7.959,16 2.987,17 2.234,18 3.063,19 1.531,20 1.531,21 4.299,22 64.305,23 64.305,24 2.829,25 4.291,26 4.291,27 7.073,28 2.568,29 172.268,30 412.093,31 23.043,32 2.879,33 6.27,34 2.78,35 2.873,36 3,37 14.678,38 2.95,39 2.495,40 4.15,41 1.098,42 1.061,43 4.403,44 1.473,45 27.847,46 2.758,47 3.159,48 23.443,49 2.653,50 1.221,51 1.077,52 10744,53 2.78,54 2.015,55 18.444,56 0.865,57 2.72,58 0.153,59 6.694,60 3.374,61 41.229,62 4.015,63 78,64 16.568,65 8.893,66 4.883,67 3.009,68 -0.185,69 17.267,70 5.7}
{0 CHEMBL2000354,1 14.539,2 15.157,3 3.247,4 2,5 1.545,6 16.587,7 1,8 1,9 169.63,10 2.136,11 2.136,12 156.095,13 1.144,14 91.11,15 7.688,16 2.93,17 1.927,18 2.815,19 1.387,20 1.387,21 4.048,22 63.205,23 63.205,24 2.687,25 3.491,26 3.491,27 7.257,28 2.5,29 162.022,30 387.093,31 19.633,32 2.809,33 5.625,34 2.854,35 2.925,36 3,37 13.132,38 2.875,39 2.36,40 3.83,41 1.138,42 1.052,43 4.104,44 1.339,45 26.591,46 2.735,47 3.077,48 22.268,49 2.692,50 1.01,51 1.107,52 10390,53 2.715,54 1.72,55 20.442,56 0.883,57 2.689,58 0.157,59 6.599,60 3.353,61 37.861,62 3.907,63 83,64 15.654,65 8.153,66 4.771,67 2.762,68 -0.385,69 16.234,70 5.7}
{0 CHEMBL2000393,1 27.218,2 37.083,3 4.567,4 2.554,5 2.202,6 19.372,7 1.618,8 1.618,9 251.34,10 4.312,11 4.312,12 207.24,13 1.547,14 105.914,15 9.614,16 3.051,17 2.56,18 3.331,19 1.92,20 1.92,21 5.475,22 82.082,23 82.082,24 2.833,25 5.811,26 5.811,27 8.146,28 2.959,29 186.803,30 447.558,31 19.496,32 2.934,33 9.365,34 2.917,35 2.972,36 1,37 15.919,38 3.003,39 2.896,40 4.272,41 1.108,42 1.079,43 4.962,44 1.852,45 31.625,46 2.799,47 4.367,48 36.123,49 2.766,50 1.563,51 1.155,52 21448,53 2.818,54 2.176,55 25.819,56 0.941,57 2.754,58 0.102,59 8.997,60 3.525,61 58.033,62 3.996,63 112,64 18.373,65 12.848,66 5.168,67 2.995,68 0.793,69 21.112,70 5.9}
{0 CHEMBL2000408,1 17.09,2 20.604,3 4.733,4 2.55,5 2.019,6 21.303,7 1.633,8 1.633,9 229.357,10 4.721,11 4.721,12 195.673,13 1.681,14 118.112,15 10.182,16 3.21,17 2.801,18 3.462,19 2.088,20 2.088,21 5.132,22 93.621,23 93.621,24 2.893,25 5.888,26 5.888,27 10.007,28 3.011,29 219.705,30 527.841,31 27.532,32 2.961,33 7.743,34 2.981,35 3.063,36 1,37 18.318,38 3.117,39 3.039,40 4.236,41 1.417,42 1.315,43 5.005,44 1.962,45 36.978,46 2.865,47 4.089,48 35.065,49 2.742,50 1.335,51 1.363,52 20913,53 2.876,54 2.219,55 31.508,56 1.061,57 2.733,58 0.479,59 8.171,60 3.638,61 56.043,62 4.021,63 148,64 22.103,65 11.865,66 5.121,67 3.182,68 0.43,69 23.043,70 5.7}
{0 CHEMBL2000429,1 18.709,2 24.331,3 4.581,4 2.603,5 2.047,6 22.717,7 1.681,8 1.681,9 240.955,10 4.647,11 4.647,12 207.658,13 1.61,14 124.872,15 10.856,16 3.206,17 2.496,18 3.284,19 2.081,20 2.081,21 5.095,22 102.653,23 102.653,24 2.867,25 5.904,26 5.904,27 9.254,28 2.996,29 233.294,30 560.997,31 29.376,32 2.974,33 8.18,34 2.981,35 3.063,36 1,37 19.38,38 3.117,39 3.013,40 4.284,41 1.417,42 1.315,43 5.07,44 1.927,45 39.194,46 2.87,47 4.139,48 37.961,49 2.741,50 1.491,51 1.346,52 24666,53 2.883,54 2.21,55 36.225,56 1.069,57 2.733,58 0.469,59 8.458,60 3.681,61 58.565,62 4.008,63 164,64 23.997,65 12.177,66 5.156,67 3.117,68 0.763,69 24.457,70 5.7}
{0 CHEMBL2000481,1 17.323,2 16.035,3 4.031,4 2.404,5 1.815,6 23.674,7 1.442,8 1.442,9 264.706,10 3.178,11 3.178,12 227.193,13 1.534,14 123.931,15 11.562,16 3.296,17 2.584,18 3.308,19 1.831,20 1.831,21 6.414,22 94.874,23 94.874,24 3.002,25 5.127,26 5.127,27 10.224,28 2.725,29 227.779,30 547.542,31 30.035,32 3.219,33 9.107,34 3.048,35 3.07,36 3,37 18.225,38 3.263,39 2.829,40 4.292,41 1.247,42 1.162,43 4.874,44 1.821,45 37.585,46 3.045,47 3.612,48 40.081,49 2.92,50 1.42,51 1.379,52 28407,53 3.073,54 2.274,55 36.408,56 1.148,57 2.906,58 0.29,59 9.373,60 3.701,61 55.62,62 4.071,63 168,64 22.679,65 12.112,66 5.173,67 3.015,68 0.736,69 23.424,70 5.7}
{0 CHEMBL2000508,1 1.628,2 0.662,3 3.414,4 1.984,5 1,6 13.717,7 1,8 1,9 168.916,10 2.253,11 2.253,12 149.47,13 1,14 81.269,15 7.326,16 2.833,17 1.785,18 2.692,19 1.206,20 1.206,21 4.09,22 51.606,23 51.606,24 2.623,25 2.852,26 2.852,27 5.012,28 2.5,29 141.04,30 335.897,31 10.086,32 2.687,33 6.262,34 2.65,35 2.716,37 11.718,38 2.783,39 2.109,40 3.728,41 1.158,42 0.868,43 3.627,44 1.078,45 23.648,46 2.63,47 3.247,48 20.105,49 2.48,50 0.985,51 1.107,52 7219,53 2.635,54 1.548,55 13.986,56 0.886,57 2.483,58 0.218,59 6.291,60 3.288,61 37.161,62 4.071,63 66,64 12.515,65 8.142,66 4.781,67 2.5,68 -1,69 14.234,70 5.7}
{0 CHEMBL2000568,1 2.428,2 1.842,3 3.032,4 1.354,5 1,6 12.535,7 0.408,8 0.408,9 118.491,10 1.006,11 1.006,12 101.601,13 0.97,14 70.479,15 5.784,16 2.771,17 1.5,18 2.532,19 1,20 1,21 3.003,22 43.584,23 43.584,24 2.154,25 2.337,26 2.337,27 5.263,28 1.901,29 126.641,30 300.764,31 12.802,32 2.522,33 4.28,34 2.333,35 2.427,36 2,37 9.974,38 2.699,39 2.027,40 3.452,41 0.965,42 0.781,43 3.439,44 1.023,45 21.273,46 2.554,47 2.59,48 16.6,49 2.173,50 0.314,51 0.929,52 4573,53 2.54,54 1.448,55 10.617,56 0.673,57 2.19,58 0.012,59 5.41,60 3.152,61 30.793,62 4.024,63 40,64 10.879,65 6.695,66 4.605,67 2.5,68 -1.553,69 12.535,70 5.7}
{0 CHEMBL2000685,1 41.759,2 51.581,3 4.682,4 3.077,5 2.76,6 38.534,7 2.159,8 2.159,9 315.189,10 5.215,11 5.215,12 287.183,13 2.127,14 197.783,15 15.092,16 3.65,17 3.083,18 3.738,19 2.301,20 2.301,21 6.702,22 150.232,23 150.232,24 3.364,25 6.677,26 6.677,27 15.146,28 3.582,29 370.214,30 895.083,31 45.51,32 3.495,33 10.897,34 3.418,35 3.472,36 16,37 28.787,38 3.562,39 3.253,40 4.565,41 1.625,42 1.593,43 5.268,44 2.194,45 59.387,46 3.282,47 4.678,48 73.169,49 3.201,50 2.688,51 1.703,52 91674,53 3.322,54 2.534,55 85.337,56 1.421,57 3.154,58 0.669,59 14.459,60 4.037,61 82.869,62 3.96,63 298,64 40.455,65 16.547,66 5.543,67 3.705,68 1.724,69 38.534,70 6}
{0 CHEMBL2000801,1 16.455,2 24.048,3 4.032,4 2.436,5 1.552,6 18.286,7 1.468,8 1.468,9 230.166,10 3.539,11 3.539,12 213.006,13 1.529,14 108.031,15 9.47,16 3.033,17 2.447,18 3.232,19 1.804,20 1.804,21 5.146,22 80.23,23 80.23,24 2.808,25 4.974,26 4.974,27 8.127,28 2.947,29 190.737,30 457.159,31 18.531,32 2.951,33 6.771,34 2.854,35 2.925,36 3,37 15.943,38 2.985,39 2.783,40 4.136,41 1.181,42 1.105,43 4.683,44 1.725,45 31.199,46 2.879,47 4.009,48 34.125,49 2.715,50 1.429,51 1.107,52 25221,53 2.875,54 2.203,55 30.333,56 0.961,57 2.735,58 0.226,59 8.471,60 3.532,61 50.949,62 4.086,63 96,64 20.305,65 10.765,66 5.078,67 3.048,68 0.51,69 21.303,70 5.7}
{0 CHEMBL2000832,1 29.411,2 42.298,3 4.399,4 2.484,5 2.451,6 24.363,7 1.536,8 1.536,9 248.346,10 4.174,11 4.174,12 213.07,13 1.859,14 133.341,15 11.176,16 3.288,17 2.593,18 3.39,19 2.076,20 2.076,21 5.919,22 94.295,23 94.295,24 2.999,25 6.192,26 6.192,27 12.634,28 2.933,29 238.972,30 574.85,31 32.704,32 3.054,33 9.184,34 3.097,35 3.158,36 4,37 19.263,38 3.225,39 3.047,40 4.363,41 1.322,42 1.272,43 5.171,44 2.007,45 40.387,46 2.954,47 4.233,48 45.219,49 2.938,50 1.888,51 1.397,52 34895,53 2.964,54 2.478,55 49.198,56 1.162,57 2.929,58 0.34,59 10.7,60 3.763,61 62.116,62 4,63 180,64 23.704,65 13.747,66 5.252,67 3.303,68 1.05,69 25.233,70 5.7}
{0 CHEMBL2000894,1 19.707,2 26.716,3 4.131,4 2.316,5 1.751,6 20.543,7 1.323,8 1.323,9 201.085,10 3.446,11 3.446,12 168.639,13 1.527,14 110.303,15 8.901,16 3.091,17 2.362,18 3.174,19 1.812,20 1.812,21 4.834,22 75.145,23 75.145,24 2.737,25 4.673,26 4.673,27 10.436,28 2.771,29 196.266,30 470.648,31 24.457,32 2.947,33 7.72,34 2.856,35 2.925,36 5,37 15.586,38 3.058,39 2.778,40 4.129,41 1.181,42 1.107,43 4.623,44 1.746,45 32.716,46 2.871,47 3.732,48 34.499,49 2.715,50 1.372,51 1.18,52 15989,53 2.893,54 2.162,55 26.193,56 0.978,57 2.735,58 0.218,59 8.47,60 3.547,61 51.019,62 4.006,63 109,64 18.875,65 11.18,66 5.053,67 3.004,68 0.23,69 20.543,70 5.7}
{0 CHEMBL2001224,1 22.43,2 30.145,3 3.414,4 1.917,5 1.974,6 19.018,7 1,8 1,9 177.016,10 2.275,11 2.275,12 162.406,13 1.118,14 96.578,15 8.697,16 3.029,17 2.147,18 2.998,19 1.598,20 1.598,21 4.52,22 76.488,23 76.488,24 2.697,25 4.433,26 4.433,27 6.396,28 2.5,29 185.203,30 443.654,31 19.453,32 2.933,33 5.625,34 2.869,35 2.979,36 4,37 15.007,38 2.983,39 2.559,40 3.964,41 1.105,42 1.025,43 4.451,44 1.495,45 30.125,46 2.8,47 3.269,48 24.438,49 2.635,50 1.152,51 1.167,52 14026,53 2.812,54 2.099,55 24.183,56 0.937,57 2.671,58 0.136,59 6.5,60 3.427,61 41.968,62 3.891,63 118,64 18.441,65 9.082,66 4.875,67 2.919,68 0.073,69 18.518,70 5.7}
{0 CHEMBL2001228,1 29.023,2 44.533,3 4.895,4 2.863,5 2.334,6 30.028,7 1.889,8 1.889,9 348.767,10 5.222,11 5.222,12 305.158,13 1.897,14 169.713,15 15.143,16 3.36,17 2.859,18 3.592,19 2.277,20 2.277,21 8.423,22 123.74,23 123.74,24 3.314,25 7.12,26 7.12,27 13.874,28 3.295,29 295.348,30 712.409,31 37.474,32 3.345,33 12.874,34 3.161,35 3.206,36 1,37 24.778,38 3.326,39 3.232,40 4.608,41 1.513,42 1.429,43 5.478,44 2.159,45 50.006,46 3.154,47 4.573,48 54.988,49 3.049,50 2.032,51 1.488,52 57218,53 3.161,54 2.421,55 61.192,56 1.367,57 3.048,58 0.638,59 12.462,60 3.979,61 77.365,62 4.071,63 266,64 28.716,65 17.12,66 5.469,67 3.41,68 1.4,69 30.045,70 5.5}
{0 CHEMBL2001239,1 23.318,2 34.589,3 4.359,4 2.355,5 1.926,6 19.889,7 1.396,8 1.396,9 214.582,10 3.974,11 3.974,12 203.539,13 1.466,14 106.195,15 8.694,16 3.035,17 2.433,18 3.184,19 1.804,20 1.804,21 4.14,22 89.589,23 89.589,24 2.786,25 5.034,26 5.034,27 7.902,28 2.809,29 192.664,30 461.86,31 20.347,32 2.93,33 6.411,34 2.854,35 2.925,36 6,37 15.791,38 2.937,39 2.724,40 4.167,41 1.181,42 1.107,43 4.663,44 1.652,45 30.182,46 2.735,47 3.491,48 36.434,49 2.655,50 1.216,51 1.157,52 22808,53 2.715,54 2.082,55 30.8,56 0.886,57 2.621,58 0.157,59 8.532,60 3.419,61 49.746,62 3.975,63 112,64 21.779,65 10.487,66 5.014,67 2.944,68 0.51,69 21.889,70 5.7}
{0 CHEMBL2001257,1 27.434,2 33.376,3 4.505,4 2.658,5 2.136,6 25.139,7 1.686,8 1.686,9 242.034,10 4.593,11 4.593,12 213.655,13 1.741,14 147.412,15 12.481,16 3.404,17 2.635,18 3.464,19 2.089,20 2.089,21 6.788,22 96.903,23 96.903,24 3.04,25 5.71,26 5.71,27 14.364,28 3.171,29 260.825,30 628.173,31 40.363,32 3.243,33 8.809,34 3.246,35 3.31,36 7,37 21,38 3.306,39 3.054,40 4.257,41 1.553,42 1.439,43 4.903,44 2.012,45 44.267,46 3.123,47 4.191,48 36.585,49 3.081,50 1.813,51 1.523,52 30062,53 3.089,54 2.252,55 51.086,56 1.302,57 3.1,58 0.626,59 9.104,60 3.839,61 58.33,62 4.127,63 179,64 24.877,65 12.433,66 5.201,67 3.31,68 0.744,69 24.786,70 6}
{0 CHEMBL2001288,1 14.107,2 18.574,3 2.991,4 1.387,5 1.267,6 15.939,7 0.544,8 0.544,9 217.302,10 0.907,11 0.907,12 281.496,13 0.765,14 77.403,15 6.888,16 2.659,17 1.674,18 2.629,19 1.176,20 1.176,21 3.989,22 64.152,23 64.152,24 2.438,25 3.075,26 3.075,27 8.709,28 1.55,29 140.345,30 334.203,31 45.021,32 2.603,33 6.153,34 2.385,35 2.446,36 2,37 12.245,38 2.626,39 2.06,40 4.358,41 0.877,42 0.746,43 4.192,44 0.976,45 22.551,46 2.359,47 2.704,48 14.959,49 2.137,50 0.565,51 0.972,52 6604,53 2.257,54 1.459,55 12.12,56 0.619,57 2.09,59 4.314,60 3.107,61 36.812,62 4.055,63 54,64 14.208,65 8.097,66 4.62,67 2.201,68 -1.114,69 14.439,70 5.7}
{0 CHEMBL2001485,1 26.913,2 34.714,3 4.958,4 2.831,5 2.294,6 28.035,7 1.903,8 1.903,9 289.55,10 5.451,11 5.451,12 249.672,13 2.047,14 156.799,15 13.254,16 3.393,17 2.893,18 3.563,19 2.221,20 2.221,21 7.509,22 110.533,23 110.533,24 3.115,25 6.668,26 6.668,27 14.935,28 3.296,29 277.681,30 669.302,31 46.189,32 3.387,33 10.306,34 3.256,35 3.319,36 5,37 22.913,38 3.315,39 3.182,40 4.43,41 1.533,42 1.409,43 5.349,44 2.133,45 46.972,46 3.148,47 4.622,48 46.086,49 3.065,50 2.004,51 1.535,52 41774,53 3.14,54 2.511,55 59.813,56 1.318,57 3.082,58 0.619,59 10.599,60 3.896,61 67.935,62 4.138,63 252,64 26.851,65 14.832,66 5.336,67 3.489,68 1,69 27.681,70 6.7}
{0 CHEMBL2001539,1 5.708,2 2.941,3 2.163,4 -0.012,5 -0.472,6 8.32,7 -0.95,8 -0.95,9 105.12,10 -2.264,11 -2.264,12 93.391,13 -0.797,14 51.822,15 4.919,16 2.078,17 0.504,18 1.682,19 0.404,20 0.404,21 3.335,22 31.909,23 31.909,24 1.266,25 0.961,26 0.961,27 3.352,28 0.337,29 87.931,30 206.312,31 10.359,32 1.967,33 3.587,34 1.612,35 1.737,37 7.318,38 1.996,39 1.356,40 3.16,41 0.248,43 3,44 0.381,45 14.943,46 1.865,47 1.51,48 6.456,49 1.293,50 -1.515,51 0.122,52 1445,53 1.793,54 1.059,55 3.333,57 1.33,59 2.767,60 2.881,61 21.493,62 4.036,63 12,64 6.695,65 4.894,66 4.212,67 0.414,69 7.966,70 4.7}
{0 CHEMBL2001547,1 16.265,2 17.95,3 4.268,4 2.378,5 1.96,6 20.433,7 1.437,8 1.437,9 221.246,10 3.643,11 3.643,12 190.669,13 1.547,14 113.578,15 9.876,16 3.191,17 2.46,18 3.21,19 1.847,20 1.847,21 4.714,22 89.855,23 89.855,24 2.864,25 5.579,26 5.579,27 8.536,28 2.891,29 210.113,30 504.435,31 24.111,32 2.937,33 7.728,34 2.904,35 3.009,36 1,37 17.395,38 3.094,39 2.789,40 4.175,41 1.414,42 1.308,43 5.013,44 1.734,45 35.216,46 2.852,47 4.039,48 34.261,49 2.735,50 1.342,51 1.337,52 19356,53 2.861,54 2.213,55 29.798,56 1.06,57 2.733,58 0.469,59 7.998,60 3.59,61 53.676,62 4.018,63 125,64 21.14,65 11.043,66 5.091,67 3.116,68 0.307,69 22.173,70 5.7}
{0 CHEMBL2001751,1 16.112,2 18.632,3 4.755,4 2.666,5 1.977,6 24.485,7 1.679,8 1.679,9 251.742,10 4.958,11 4.958,12 213.489,13 1.798,14 137.858,15 11.737,16 3.414,17 2.747,18 3.442,19 2.03,20 2.03,21 6.3,22 90.738,23 90.738,24 2.922,25 6.233,26 6.233,27 11.988,28 3.072,29 242.77,30 584.12,31 30.721,32 3.25,33 9.515,34 3.029,35 3.085,36 5,37 19.401,38 3.36,39 3.027,40 4.204,41 1.572,42 1.394,43 5.226,44 2.008,45 42,46 3.199,47 4.287,48 40.606,49 2.88,50 1.589,51 1.59,52 34295,53 3.203,54 2.325,55 43.676,56 1.371,57 2.876,58 0.584,59 10.347,60 3.811,61 62.445,62 4.053,63 178,64 22.5,65 13.869,66 5.287,67 3.136,68 0.988,69 24.485,70 5.7}
{0 CHEMBL2001920,1 14.277,2 15.473,3 2.656,4 0.778,5 1.583,6 14.715,7 -0.141,8 -0.141,9 188.145,10 -0.355,11 -0.355,12 219.534,13 0.463,14 78.272,15 6.965,16 2.508,17 1.569,18 2.628,19 1.167,20 1.167,21 4.296,22 48.379,23 48.379,24 2.423,25 3.287,26 3.287,27 4.111,28 1.283,29 129.371,30 307.425,31 14.408,32 2.692,33 6.535,34 1.993,35 2.094,36 1,37 11.962,38 2.457,39 2.106,40 4.002,41 0.373,42 0.206,43 4.131,44 1.069,45 20.091,46 2.299,47 2.422,48 13.882,49 1.661,50 0.817,51 0.353,52 5359,53 2.258,54 1.56,55 9.778,57 1.81,59 4.277,60 3.123,61 33.025,62 3.982,63 41,64 12.203,65 6.81,66 4.61,67 1.725,68 -0.875,69 12.861,70 5.7}
{0 CHEMBL2001923,1 44.122,2 66.777,3 5.257,4 3.21,5 2.628,6 31.581,7 2.226,8 2.226,9 366.032,10 6.656,11 6.656,12 308.453,13 2.186,14 185.299,15 16.37,16 3.493,17 2.945,18 3.686,19 2.442,20 2.442,21 9.13,22 134.069,23 134.069,24 3.291,25 6.939,26 6.939,27 20.006,28 3.532,29 325.514,30 786.013,31 50.952,32 3.352,33 13.628,34 3.387,35 3.451,36 2,37 26.888,38 3.439,39 3.372,40 4.721,41 1.649,42 1.635,43 5.394,44 2.267,45 56.625,46 3.273,47 5.163,48 63.942,49 3.217,50 2.475,51 1.661,52 90641,53 3.28,54 2.712,55 92.853,56 1.497,57 3.204,58 0.868,59 13.881,60 4.105,61 88.032,62 4.088,63 400,64 32.243,65 19.826,66 5.589,67 3.587,68 1.689,69 34.191,70 5.7}
{0 CHEMBL2001957,1 17.082,2 21.72,3 4.419,4 2.467,5 2.053,6 21.847,7 1.526,8 1.526,9 251.438,10 4.039,11 4.039,12 226.18,13 1.678,14 120.939,15 10.569,16 3.206,17 2.83,18 3.488,19 2.137,20 2.137,21 5.051,22 104.816,23 104.816,24 2.894,25 6.013,26 6.013,27 8.934,28 3.016,29 226.098,30 543.439,31 26.106,32 2.976,33 8.007,34 2.981,35 3.063,36 1,37 18.844,38 3.117,39 3.07,40 4.289,41 1.414,42 1.315,43 5.052,44 1.978,45 37.307,46 2.87,47 4.284,48 41.222,49 2.747,50 1.462,51 1.344,52 30663,53 2.883,54 2.412,55 41.404,56 1.068,57 2.735,58 0.469,59 8.999,60 3.632,61 59.363,62 4.007,63 172,64 24.839,65 12.286,66 5.185,67 3.21,68 0.774,69 25.217,70 5.7}
{0 CHEMBL2001998,1 29.185,2 35.496,3 4.127,4 2.512,5 2.186,6 23.493,7 1.544,8 1.544,9 235.804,10 3.608,11 3.608,12 199.663,13 1.651,14 129.654,15 11.549,16 3.215,17 2.471,18 3.398,19 1.979,20 1.979,21 6.497,22 95.645,23 95.645,24 2.973,25 6.209,26 6.209,27 12.432,28 2.876,29 236.963,30 569.95,31 37.182,32 3.128,33 8.635,34 3.111,35 3.206,37 19.174,38 3.166,39 2.954,40 4.202,41 1.513,42 1.429,43 5.199,44 1.922,45 40.563,46 3.025,47 4.1,48 32.97,49 2.91,50 1.9,51 1.503,52 31249,53 3.043,54 2.228,55 48.166,56 1.253,57 2.941,58 0.687,59 8.669,60 3.735,61 58.775,62 4.044,63 198,64 22.553,65 13.104,66 5.178,67 3.104,68 1,69 23.493,70 5.7}
{0 CHEMBL2002165,1 21.644,2 26.24,3 4.58,4 2.751,5 2.276,6 24.717,7 1.812,8 1.812,9 267.937,10 4.755,11 4.755,12 235.31,13 1.834,14 140.416,15 12.057,16 3.308,17 2.773,18 3.465,19 2.093,20 2.093,21 6.57,22 103.313,23 103.313,24 2.993,25 5.71,26 5.71,27 12.258,28 3.156,29 246.236,30 592.575,31 36.564,32 3.35,33 9.683,34 3.04,35 3.13,36 6,37 20.09,38 3.259,39 3.048,40 4.315,41 1.397,42 1.35,43 4.994,44 1.992,45 41.381,46 3.097,47 4.482,48 41.157,49 2.853,50 1.865,51 1.493,52 36034,53 3.097,54 2.352,55 50.25,56 1.209,57 2.869,58 0.466,59 9.881,60 3.787,61 62.251,62 4.137,63 188,64 24.224,65 12.99,66 5.256,67 3.295,68 0.853,69 25.233,70 6.7}
{0 CHEMBL2002322,1 11.734,2 12.129,3 4.007,4 2.211,5 1.634,6 14.629,7 1.285,8 1.285,9 219.607,10 3.4,11 3.4,12 208.286,13 1.209,14 84.727,15 7.755,16 2.863,17 2.214,18 2.997,19 1.494,20 1.494,21 4.672,22 67.464,23 67.464,24 2.485,25 4.139,26 4.139,27 6.932,28 2.65,29 154.553,30 368.87,31 8.057,32 2.825,33 5.746,34 2.53,35 2.603,36 1,37 13.389,38 2.818,39 2.447,40 4.14,41 0.933,42 0.83,43 4.48,44 1.417,45 24.307,46 2.608,47 3.668,48 29.712,49 2.345,50 1.294,51 0.988,52 15283,53 2.621,54 2.184,55 19,56 0.771,57 2.317,59 6.584,60 3.307,61 45.423,62 4.116,63 82,64 18.504,65 9.19,66 4.942,67 2.752,68 0.474,69 19.276,70 5.7}
{0 CHEMBL2002323,1 7.215,2 4.633,3 2.756,4 1.046,5 0.749,6 11.828,7 0.121,8 0.121,9 128.652,10 0.266,11 0.266,12 109.269,13 0.643,14 69.309,15 5.518,16 2.761,17 1.615,18 2.577,19 1.093,20 1.093,21 2.862,22 46.722,23 46.722,24 2.322,25 2.899,26 2.899,27 4.501,28 1.395,29 121.174,30 287.425,31 11.966,32 2.465,33 4.266,34 2.535,35 2.626,36 1,37 9.761,38 2.672,39 2.068,40 3.558,41 0.911,42 0.777,43 3.898,44 1.063,45 20.006,46 2.307,47 2.368,48 16.913,49 2.261,50 -0.267,51 0.936,52 4664,53 2.327,54 1.708,55 9.889,56 0.644,57 2.266,59 5.351,60 3.062,61 31.855,62 3.991,63 38,64 11.026,65 6.938,66 4.595,67 2.118,68 -1.326,69 12.698,70 5.7}
{0 CHEMBL2002346,1 9.712,2 15.848,3 3.477,4 2,5 1.222,6 15.485,7 1,8 1,9 152.159,10 2.431,11 2.431,12 130.77,13 1.127,14 91.521,15 7.423,16 2.925,17 2.071,18 2.901,19 1.453,20 1.453,21 3.711,22 54.15,23 54.15,24 2.661,25 3.137,26 3.137,27 6.069,28 2.5,29 158.557,30 378.638,31 16.849,32 2.687,33 5.912,34 2.782,35 2.857,36 1,37 12.4,38 2.854,39 2.418,40 3.689,41 1.174,42 1.006,43 3.638,44 1.393,45 26.836,46 2.661,47 3.247,48 22.868,49 2.608,50 1,51 1.107,52 9443,53 2.688,54 1.514,55 18.688,56 0.886,57 2.6,58 0.218,59 7.271,60 3.356,61 38.9,62 4.014,63 80,64 13.77,65 8.525,66 4.824,67 2.684,68 -0.766,69 15.485,70 5.7}
{0 CHEMBL2002373,1 5.822,2 4.205,3 3.247,4 1.984,5 1,6 14.493,7 1,8 1,9 131.686,10 2.136,11 2.136,12 113.018,13 1,14 82.688,15 7.017,16 2.925,17 1.5,18 2.5,19 1.056,20 1.056,21 3.396,22 55.693,23 55.693,24 2.627,25 2.358,26 2.358,27 6.68,28 2.368,29 152.62,30 364.153,31 18.094,32 2.687,33 5.164,34 2.738,35 2.811,36 1,37 11.684,38 2.854,39 2.008,40 3.59,41 1.181,42 1.079,43 3.436,44 1.001,45 25.801,46 2.735,47 3.247,48 19.321,49 2.539,50 0.793,51 1.107,52 6416,53 2.715,54 1.431,55 15.905,56 0.886,57 2.528,58 0.218,59 5.972,60 3.299,61 34.518,62 3.963,63 72,64 13.686,65 7.287,66 4.656,67 2.5,68 -1,69 14.493,70 5.7}
{0 CHEMBL2002407,1 13.177,2 11.431,3 2.834,4 1.381,5 1.469,6 15.405,7 0.441,8 0.441,9 133.533,10 0.671,11 0.671,12 114.894,13 0.496,14 78.965,15 5.834,16 2.987,17 1.839,18 2.884,19 1.227,20 1.227,21 2.811,22 55.034,23 55.034,24 2.565,25 3.047,26 3.047,27 4.799,28 2.399,29 142.966,30 340.598,31 13.605,32 2.69,33 4.257,34 2.763,35 2.835,36 3,37 11.084,38 2.867,39 2.18,40 3.678,41 0.997,42 1.009,43 3.944,44 1.167,45 22.222,46 2.614,47 2.763,48 23.104,49 2.508,50 0.941,51 1.074,52 7771,53 2.593,54 1.419,55 14.304,56 0.775,57 2.467,59 6.527,60 3.11,61 34.718,62 3.914,63 58,64 14.613,65 7.469,66 4.751,67 2.524,68 -0.844,69 15.405,70 5.7}
{0 CHEMBL2002446,1 26.301,2 34.315,3 4.747,4 2.692,5 2.233,6 22.554,7 1.713,8 1.713,9 250.661,10 5.046,11 5.046,12 216.432,13 1.701,14 138.702,15 12.865,16 3.354,17 2.495,18 3.403,19 1.992,20 1.992,21 7.542,22 92.98,23 92.98,24 2.921,25 5.887,26 5.887,27 13.54,28 2.983,29 241.361,30 580.681,31 37.869,32 3.121,33 8.961,34 3.111,35 3.206,36 1,37 20.01,38 3.257,39 2.928,40 4.137,41 1.513,42 1.429,43 5.061,44 1.865,45 43.023,46 3.019,47 4.068,48 25.354,49 2.91,50 1.891,51 1.527,52 25295,53 3.023,54 2.318,55 50.25,56 1.278,57 2.941,58 0.765,59 6.925,60 3.847,61 58.096,62 4.077,63 195,64 21.407,65 12.33,66 5.165,67 3.115,68 0.721,69 22.2,70 6}
{0 CHEMBL2002479,1 25.806,2 36.034,3 4.396,4 2.574,5 1.899,6 22.579,7 1.606,8 1.606,9 232.943,10 4.264,11 4.264,12 206.283,13 1.587,14 121.934,15 10.699,16 3.158,17 2.503,18 3.241,19 1.849,20 1.849,21 5.544,22 88.547,23 88.547,24 2.924,25 5.49,26 5.49,27 9.794,28 2.998,29 219.317,30 526.894,31 25.622,32 3.068,33 8.882,34 2.976,35 3.045,36 7,37 17.908,38 3.085,39 2.805,40 4.173,41 1.361,42 1.167,43 4.957,44 1.732,45 37.097,46 2.93,47 4.189,48 33.561,49 2.768,50 1.521,51 1.396,52 25317,53 2.937,54 2.167,55 36.648,56 1.075,57 2.775,58 0.364,59 8.671,60 3.671,61 55.583,62 4.015,63 159,64 20.976,65 12.051,66 5.133,67 3.079,68 0.661,69 22.079,70 5.7}
{0 CHEMBL2002649,1 11.833,2 15.343,3 2.894,4 1.398,5 0.857,6 12.535,7 0.507,8 0.507,9 124.008,10 0.854,11 0.854,12 106.311,13 0.564,14 66.997,15 5.48,16 2.567,17 1.12,18 2.3,19 0.795,20 0.795,21 2.821,22 47.967,23 47.967,24 2.208,25 1.963,26 1.963,27 4.569,28 1.749,29 121.174,30 287.425,31 12.538,32 2.471,33 4.27,34 2.396,35 2.509,36 1,37 9.728,38 2.559,39 1.759,40 3.434,41 1.007,42 0.624,43 3.343,44 0.762,45 19.972,46 2.364,47 2.657,48 16.803,49 2.154,50 0.59,51 0.966,52 4720,53 2.393,54 1.626,55 11.432,56 0.745,57 2.163,58 0.055,59 5.462,60 3.045,61 30.505,62 3.951,63 47,64 11.05,65 6.77,66 4.572,67 2.118,68 -1.429,69 12.535,70 6.5}
{0 CHEMBL2002702,1 12.37,2 15.104,3 2.85,4 0.924,5 0.895,6 12.698,7 -0.062,8 -0.062,9 123.157,10 -0.164,11 -0.164,12 104.322,13 0.741,14 72.469,15 5.936,16 2.721,17 1.746,18 2.695,19 1.316,20 1.316,21 3.188,22 46.094,23 46.094,24 2.366,25 2.935,26 2.935,27 5.255,28 1.332,29 129.568,30 307.907,31 13.652,32 2.535,33 4.457,34 2.597,35 2.613,36 4,37 10.372,38 2.632,39 2.294,40 3.471,41 1.078,42 1,43 3.615,44 1.285,45 22.034,46 2.435,47 2.345,48 15.446,49 2.382,50 -0.134,51 1.021,52 4183,53 2.443,54 1.653,55 10.136,56 0.773,57 2.386,58 0.179,59 5.013,60 3.178,61 31.924,62 3.978,63 43,64 11.148,65 6.782,66 4.593,67 2.317,68 -1.423,69 12.698,70 6.1}
{0 CHEMBL2002726,1 11.017,2 9.41,3 3.586,4 2.193,5 1.492,6 18.64,7 1.233,8 1.233,9 175.176,10 3.019,11 3.019,12 151.399,13 1.392,14 107.094,15 9.013,16 3.062,17 2.167,18 2.968,19 1.521,20 1.521,21 4.596,22 70.906,23 70.906,24 2.687,25 4.156,26 4.156,27 8.953,28 2.703,29 194.128,30 465.432,31 23.926,32 2.838,33 6.568,34 2.854,35 2.939,36 3,37 15.222,38 2.983,39 2.481,40 3.882,41 1.231,42 1.143,43 4.355,44 1.458,45 33.33,46 2.802,47 3.486,48 25.777,49 2.715,50 1.111,51 1.243,52 14739,53 2.798,54 2.026,55 26.617,56 0.965,57 2.735,58 0.249,59 7.475,60 3.566,61 45.31,62 4.034,63 112,64 17.564,65 9.831,66 4.945,67 2.815,68 -0.208,69 18.64,70 5.7}
{0 CHEMBL2002992,1 12.427,2 15.179,3 3.406,4 1.964,5 1,6 14.82,7 1,8 1,9 137.654,10 2.232,11 2.232,12 118.792,13 1,14 81.7,15 7.634,16 2.98,17 1.5,18 2.5,19 1.053,20 1.053,21 4.604,22 63.222,23 63.222,24 2.484,25 2.642,26 2.642,27 8.146,28 2.046,29 158.604,30 378.754,31 27.049,32 2.76,33 4.558,34 2.738,35 2.894,36 1,37 12.303,38 2.887,39 2.039,40 3.701,41 1.225,42 1.183,43 3.684,44 1.033,45 27.33,46 2.665,47 3.182,48 14.322,49 2.425,50 0.859,51 1.208,52 6588,53 2.677,54 1.504,55 14.939,56 1.015,57 2.411,58 0.3,59 4.053,60 3.355,61 35.641,62 3.98,63 64,64 14.394,65 7.712,66 4.64,67 2.152,68 -1,69 14.82,70 5.7}
{0 CHEMBL2003271,1 14.113,2 16.802,3 3.637,4 2,5 1.953,6 19.284,7 1,8 1,9 224.924,10 2.275,11 2.275,12 207.691,13 1.087,14 97.47,15 8.605,16 2.925,17 1.958,18 2.873,19 1.465,20 1.465,21 5.54,22 65.181,23 65.181,24 2.857,25 3.971,26 3.971,27 5.414,28 2.5,29 173.432,30 414.934,31 13.068,32 3.038,33 7.699,34 2.634,35 2.678,36 4,37 14.984,38 2.854,39 2.397,40 4.354,41 0.84,42 0.846,43 4.403,44 1.314,45 26.949,46 2.735,47 3.414,48 23.444,49 2.465,50 1,51 0.984,52 11838,53 2.715,54 1.842,55 17.271,56 0.886,57 2.469,59 6.335,60 3.394,61 42.058,62 4.125,63 90,64 17.484,65 9.027,66 4.86,67 2.689,68 -0.232,69 17.43,70 5.7}
{0 CHEMBL2003286,1 10.216,2 8.592,3 2.278,4 0.553,5 0.941,6 12.767,7 -0.383,8 -0.383,9 130.456,10 -0.883,11 -0.883,12 124.754,13 0.117,14 64.378,15 5.534,16 2.618,17 0.63,18 1.74,19 0.543,20 0.543,21 2.954,22 47.628,23 47.628,24 2.093,25 0.961,26 0.961,27 4.887,28 1,29 117.845,30 279.302,31 12.746,32 2.564,33 3.936,34 2.083,35 2.162,36 1,37 9.706,38 2.591,39 1.43,40 3.531,41 0.568,42 0.422,43 2.993,44 0.476,45 18.517,46 2.357,47 2,48 14.929,49 1.646,50 0.545,51 0.693,52 4792,53 2.347,54 1.42,55 10.201,56 0.316,57 1.676,59 4.614,60 2.99,61 28.243,62 3.892,63 38,64 12.014,65 5.916,66 4.449,67 1.346,68 -1.261,69 12.414,70 5.7}
{0 CHEMBL2003341,1 11.666,2 15.34,3 3.482,4 2,5 1.619,6 19.518,7 1.007,8 1.007,9 178.392,10 2.498,11 2.498,12 170.134,13 1.179,14 102.699,15 8.704,16 2.925,17 2.042,18 2.921,19 1.486,20 1.486,21 4.372,22 70.039,23 70.039,24 2.687,25 4.008,26 4.008,27 9.262,28 2.5,29 189.41,30 453.92,31 27.855,32 2.903,33 6.129,34 2.854,35 2.918,36 6,37 15.206,38 2.854,39 2.454,40 4.013,41 1.181,42 1.024,43 4.319,44 1.421,45 30.727,46 2.735,47 3.414,48 26.131,49 2.715,50 1.03,51 1.107,52 14952,53 2.715,54 1.845,55 24.544,56 0.886,57 2.735,58 0.218,59 7.237,60 3.485,61 42.594,62 3.954,63 100,64 18.554,65 9.018,66 4.871,67 2.602,68 0.145,69 18.518,70 5.7}
{0 CHEMBL2003420,1 20.734,2 24.622,3 3.247,4 1.957,5 1.643,6 19.866,7 1,8 1,9 146.648,10 2.136,11 2.136,12 140.419,13 1.348,14 107.526,15 9.55,16 3.217,17 1.842,18 2.84,19 1.491,20 1.491,21 4.026,22 86.658,23 86.658,24 2.857,25 3.133,26 3.133,27 7.47,28 2.5,29 213.17,30 511.894,31 27.646,32 2.958,33 4.622,34 2.993,35 3.052,36 4,37 15.987,38 3.123,39 2.452,40 3.734,41 1.424,42 1.212,43 3.625,44 1.43,45 35.319,46 2.919,47 3.247,48 22.939,49 2.802,50 1.063,51 1.394,52 21364,53 2.917,54 1.812,55 36.49,56 1.106,57 2.787,58 0.601,59 6.734,60 3.541,61 40.387,62 3.797,63 128,64 21.803,65 8.229,66 4.779,67 2.5,68 0.145,69 19.866,70 5.7}
{0 CHEMBL2003456,1 9.679,2 15.401,3 2.539,4 0.57,5 0.606,6 10.958,7 -0.439,8 -0.439,9 108.712,10 -1.122,11 -1.122,12 94.264,13 0.377,14 59.726,15 4.963,16 2.509,17 1.5,18 2.5,19 1,20 1,21 2.475,22 39.793,23 39.793,24 1.944,25 2.136,26 2.136,27 3.329,28 1.015,29 107.586,30 254.269,31 8.748,32 2.332,33 4.082,34 2.197,35 2.335,36 4,37 8.397,38 2.452,39 2,40 3.312,41 0.81,42 0.267,43 3.247,44 1,45 17.756,46 2.248,47 2.178,48 14.542,49 1.774,50 -0.471,51 0.788,52 3529,53 2.268,54 1.409,55 8.594,56 0.494,57 1.748,59 5.087,60 2.962,61 27.43,62 3.935,63 34,64 9.218,65 5.907,66 4.466,67 1.644,68 -1.526,69 10.958,70 5.7}
{0 CHEMBL2003482,1 15.894,2 16.748,3 3.067,4 1.396,5 1,6 13.742,7 0.419,8 0.419,9 133.526,10 1.034,11 1.034,12 123.285,13 0.863,14 74.065,15 6.704,16 2.841,17 1.5,18 2.5,19 1,20 1,21 3.587,22 55.104,23 55.104,24 2.375,25 2.275,26 2.275,27 4.27,28 1.57,29 138.031,30 328.555,31 14.216,32 2.605,33 4.368,34 2.387,35 2.499,36 2,37 11.127,38 2.768,39 2,40 3.568,41 0.915,42 0.721,43 3.414,44 1,45 22.898,46 2.587,47 2.758,48 14.191,49 2.107,50 0.695,51 0.989,52 6044,53 2.568,54 1.615,55 12.188,56 0.723,57 2.121,59 4.593,60 3.204,61 31.946,62 3.907,63 58,64 12.548,65 6.808,66 4.572,67 2.06,68 -1.034,69 13.242,70 5.7}
{0 CHEMBL2003524,1 16.423,2 14.262,3 3.112,4 1.347,5 1.146,6 15.146,7 0.403,8 0.403,9 155.656,10 0.708,11 0.708,12 128.293,13 0.725,14 74.385,15 6.546,16 2.899,17 1.84,18 2.789,19 1.442,20 1.442,21 3.592,22 57.619,23 57.619,24 2.655,25 4.139,26 4.139,27 7.418,28 1.668,29 141.557,30 337.159,31 18.677,32 2.703,33 6.002,34 2.79,35 2.807,36 1,37 11.942,38 2.859,39 2.397,40 3.867,41 1.161,42 0.895,43 4.447,44 1.358,45 23.398,46 2.652,47 2.744,48 20.875,49 2.593,50 0.813,51 1.118,52 6457,53 2.651,54 1.749,55 13.61,56 0.9,57 2.547,58 0.2,59 5.659,60 3.195,61 38.261,62 4.059,63 53,64 13.835,65 8.24,66 4.716,67 1.986,68 -0.714,69 15.146,70 5.7}
{0 CHEMBL2003638,1 17.529,2 24.912,3 4.134,4 2.353,5 1.892,6 20.338,7 1.368,8 1.368,9 216.059,10 3.499,11 3.499,12 185.174,13 1.476,14 116.372,15 9.651,16 3.105,17 2.63,18 3.305,19 1.892,20 1.892,21 4.901,22 79.04,23 79.04,24 2.804,25 5.622,26 5.622,27 6.807,28 2.835,29 202.331,30 485.449,31 20.578,32 2.914,33 7.58,34 2.896,35 2.956,36 1,37 16.288,38 3.039,39 2.847,40 4.044,41 1.211,42 1.107,43 4.951,44 1.8,45 33.995,46 2.898,47 3.894,48 35.114,49 2.734,50 1.355,51 1.275,52 23425,53 2.896,54 2.139,55 36.11,56 1.061,57 2.735,58 0.244,59 9.422,60 3.597,61 53.287,62 4.021,63 144,64 19.164,65 11.699,66 5.14,67 2.939,68 0.674,69 21.209,70 6}
{0 CHEMBL2003657,1 7.701,2 5.439,3 4.588,4 2.349,5 1.743,6 21.647,7 1.414,8 1.414,9 306.506,10 4.235,11 4.235,12 260.606,13 1.537,14 119.214,15 11.896,16 3.169,17 2.634,18 3.325,19 1.937,20 1.937,21 7.981,22 92.214,23 92.214,24 2.832,25 5.992,26 5.992,27 9.883,28 2.903,29 211.393,30 507.558,31 20.609,32 3.098,33 9.839,34 2.874,35 3.009,37 18.284,38 3.12,39 2.873,40 4.377,41 1.263,42 1.308,43 5.041,44 1.801,45 35.5,46 2.926,47 4.406,48 35.847,49 2.72,50 1.404,51 1.336,52 20151,53 2.905,54 2.195,55 25.831,56 1.176,57 2.736,58 0.469,59 8.117,60 3.679,61 57.53,62 4.157,63 127,64 20.313,65 12.677,66 5.2,67 3.072,68 0.358,69 21.913,70 5.7}
{0 CHEMBL2003817,1 16.178,2 22.484,3 3.385,4 1.916,5 1.499,6 14.656,7 1,8 1,9 166.047,10 2.171,11 2.171,12 154.39,13 1.289,14 78.386,15 6.733,16 2.865,17 1.993,18 2.855,19 1.417,20 1.417,21 3.123,22 64.787,23 64.787,24 2.527,25 3.673,26 3.673,27 4.66,28 2.5,29 147.691,30 352.126,31 13.092,32 2.676,33 5.034,34 2.629,35 2.732,36 2,37 12.003,38 2.803,39 2.362,40 3.835,41 0.976,42 0.869,43 4.14,44 1.326,45 23.341,46 2.65,47 3.247,48 27.008,49 2.398,50 1,51 1.017,52 12975,53 2.65,54 1.795,55 21.375,56 0.789,57 2.369,58 0.034,59 7.263,60 3.186,61 39.253,62 4.007,63 86,64 16.004,65 8.187,66 4.83,67 2.809,68 -0.266,69 17.156,70 5.7}
{0 CHEMBL2004290,1 25.408,2 31.066,3 4.909,4 2.838,5 2.347,6 27.217,7 1.889,8 1.889,9 281.184,10 5.307,11 5.307,12 247.023,13 2.018,14 151.3,15 12.814,16 3.331,17 2.903,18 3.577,19 2.225,20 2.225,21 6.933,22 109.453,23 109.453,24 3.065,25 6.629,26 6.629,27 13.858,28 3.306,29 268.218,30 646.213,31 42.282,32 3.386,33 10.174,34 3.199,35 3.261,36 5,37 22.043,38 3.278,39 3.177,40 4.368,41 1.47,42 1.466,43 5.314,44 2.112,45 45.421,46 3.112,47 4.633,48 43.217,49 2.942,50 1.885,51 1.531,52 40245,53 3.111,54 2.513,55 56.817,56 1.252,57 2.941,58 0.576,59 10.126,60 3.864,61 65.111,62 4.137,63 252,64 26.164,65 13.585,66 5.307,67 3.501,68 1,69 26.863,70 6.2}
{0 CHEMBL2004311,1 26.744,2 40.338,3 4.406,4 2.537,5 2.13,6 20.543,7 1.55,8 1.55,9 193.15,10 3.909,11 3.909,12 166.423,13 1.657,14 114.783,15 9.579,16 3.249,17 2.481,18 3.232,19 1.879,20 1.879,21 5.1,22 75.587,23 75.587,24 2.911,25 4.963,26 4.963,27 10.166,28 2.942,29 207.587,30 498.272,31 28.182,32 2.987,33 6.923,34 3.046,35 3.111,36 10,37 16.72,38 3.164,39 2.879,40 4.019,41 1.476,42 1.269,43 4.618,44 1.879,45 35.54,46 3.008,47 4.117,48 30.503,49 2.912,50 1.716,51 1.444,52 17463,53 2.992,54 2.171,55 28.785,56 1.184,57 2.919,58 0.521,59 8.023,60 3.637,61 50.418,62 4.018,63 103,64 19.223,65 10.503,66 5.034,67 3.105,68 0.237,69 20.543,70 5.7}
{0 CHEMBL2004355,1 19.519,2 19.137,3 3.414,4 2,5 1.747,6 19.57,7 1,8 1,9 204.17,10 2.275,11 2.275,12 179.904,13 1.059,14 96.924,15 9.039,16 3.09,17 2.023,18 3.112,19 1.436,20 1.436,21 4.276,22 80.233,23 80.233,24 2.723,25 3.904,26 3.904,27 6.517,28 2.5,29 184.202,30 441.213,31 20.872,32 2.845,33 5.34,34 2.854,35 2.925,36 1,37 14.708,38 2.982,39 2.417,40 3.996,41 1.176,42 1.107,43 4.29,44 1.398,45 29.063,46 2.735,47 3.13,48 29.544,49 2.715,50 1.167,51 1.236,52 15504,53 2.718,54 1.824,55 24.698,56 0.886,57 2.69,58 0.165,59 7.171,60 3.403,61 41.949,62 4.056,63 90,64 19.672,65 8.654,66 4.913,67 2.765,68 -0.191,69 19.32,70 5.7}
{0 CHEMBL2004419,1 9.117,2 4.86,3 4.621,4 2.353,5 1.886,6 19.604,7 1.414,8 1.414,9 245.862,10 4.403,11 4.403,12 211.908,13 1.631,14 115.367,15 10.472,16 3.048,17 2.446,18 3.173,19 2.045,20 2.045,21 5.795,22 82.693,23 82.693,24 2.781,25 5.328,26 5.328,27 9.784,28 2.904,29 203.06,30 487.226,31 22.274,32 2.911,33 8.937,34 2.874,35 3.009,37 17.25,38 2.965,39 3.01,40 4.192,41 1.279,42 1.298,43 4.982,44 1.951,45 34.642,46 2.777,47 4.41,48 31.451,49 2.715,50 1.442,51 1.308,52 17693,53 2.796,54 2.139,55 25.102,56 1.171,57 2.735,58 0.469,59 7.66,60 3.631,61 54.93,62 4.104,63 120,64 19.347,65 11.691,66 5.125,67 3.13,68 0.356,69 20.991,70 5.7}
{0 CHEMBL2004438,1 19.34,2 26.901,3 4.362,4 2.431,5 1.843,6 19.51,7 1.476,8 1.476,9 214.88,10 4.033,11 4.033,12 193.973,13 1.526,14 109.694,15 9.16,16 3.184,17 2.554,18 3.266,19 1.835,20 1.835,21 4.581,22 82.594,23 82.594,24 2.787,25 5.173,26 5.173,27 8.175,28 2.874,29 198.662,30 476.495,31 22.09,32 2.977,33 6.887,34 2.897,35 2.969,36 3,37 15.942,38 3.089,39 2.803,40 4.129,41 1.205,42 1.107,43 4.732,44 1.77,45 32.625,46 2.88,47 3.639,48 37.613,49 2.752,50 1.322,51 1.318,52 26440,53 2.895,54 2.272,55 33.101,56 1.027,57 2.752,58 0.218,59 9.294,60 3.543,61 52.297,62 4.012,63 121,64 20.641,65 11.165,66 5.104,67 3.061,68 0.51,69 22.01,70 5.7}
{0 CHEMBL2004447,1 17.673,2 19.707,3 3.609,4 2.005,5 1.495,6 15.905,7 1.063,8 1.063,9 166.945,10 2.618,11 2.618,12 139.422,13 1.119,14 85.929,15 7.25,16 3.009,17 1.857,18 2.861,19 1.396,20 1.396,21 3.905,22 65.903,23 65.903,24 2.499,25 3.22,26 3.22,27 8.339,28 2.578,29 160.612,30 383.654,31 24.216,32 2.798,33 5.858,34 2.874,35 3.009,36 5,37 13.145,38 2.894,39 2.348,40 3.944,41 1.239,42 1.17,43 4.097,44 1.316,45 26.745,46 2.64,47 3.322,48 21.477,49 2.57,50 1.193,51 1.308,52 7621,53 2.699,54 1.792,55 13.69,56 0.934,57 2.618,58 0.186,59 5.44,60 3.338,61 41.105,62 3.976,63 58,64 15.579,65 8.458,66 4.842,67 2.709,68 -0.688,69 16.776,70 5.7}
{0 CHEMBL2004716,1 29.302,2 37.713,3 4.706,4 2.773,5 2.25,6 28.131,7 1.817,8 1.817,9 264.222,10 4.947,11 4.947,12 235.59,13 2.005,14 162.121,15 13.845,16 3.407,17 2.77,18 3.465,19 2.185,20 2.185,21 7.447,22 114.167,23 114.167,24 3.155,25 6.023,26 6.023,27 16.688,28 3.23,29 290.8,30 701.312,31 50.563,32 3.38,33 9.356,34 3.306,35 3.398,36 9,37 23.27,38 3.332,39 3.163,40 4.355,41 1.584,42 1.541,43 5.024,44 2.135,45 49.25,46 3.145,47 4.503,48 42.299,49 3.089,50 1.816,51 1.6,52 42149,53 3.157,54 2.348,55 66.447,56 1.351,57 3.123,58 0.691,59 9.972,60 3.931,61 64.128,62 4.129,63 242,64 28.589,65 13.585,66 5.265,67 3.43,68 1,69 27.777,70 7.6}
{0 CHEMBL2004771,1 17.232,2 27.874,3 4.031,4 2.35,5 1.532,6 17.51,7 1.358,8 1.358,9 188.363,10 3.225,11 3.225,12 158.527,13 1.501,14 97.851,15 8.409,16 2.949,17 2.298,18 3.032,19 1.544,20 1.544,21 4.587,22 62.063,23 62.063,24 2.695,25 4.312,26 4.312,27 7.074,28 2.832,29 171.417,30 410.017,31 17.781,32 2.776,33 7.321,34 2.854,35 2.925,36 4,37 13.822,38 2.894,39 2.533,40 3.898,41 1.181,42 1.102,43 4.414,44 1.525,45 29.495,46 2.759,47 3.603,48 26.972,49 2.715,50 1.327,51 1.107,52 14026,53 2.754,54 1.931,55 22.769,56 0.91,57 2.735,58 0.218,59 7.895,60 3.482,61 46.372,62 4.012,63 82,64 15.175,65 10.363,66 4.994,67 2.922,68 0.148,69 17.51,70 5.7}
{0 CHEMBL2004871,1 7.449,2 4.867,3 3.414,4 1.984,5 1,6 14.493,7 1,8 1,9 141.596,10 2.136,11 2.136,12 122.849,13 1,14 82.905,15 7.117,16 2.925,17 1.5,18 2.5,19 1.195,20 1.195,21 3.466,22 61.179,23 61.179,24 2.634,25 2.493,26 2.493,27 6.704,28 2.399,29 153.818,30 367.076,31 17.306,32 2.687,33 5.164,34 2.77,35 2.836,36 1,37 11.984,38 2.854,39 2.129,40 3.676,41 1.181,42 1.077,43 3.438,44 1.109,45 25.739,46 2.735,47 3.247,48 20.915,49 2.543,50 0.817,51 1.107,52 7978,53 2.715,54 1.523,55 17.76,56 0.886,57 2.528,58 0.218,59 6.176,60 3.297,61 36.508,62 3.963,63 77,64 14.581,65 7.698,66 4.703,67 2.5,68 -0.916,69 15.364,70 5.7}
{0 CHEMBL2004872,1 13.021,2 18.055,3 3.445,4 2,5 1.151,6 17.648,7 1,8 1,9 154.813,10 2.275,11 2.275,12 136.311,13 1.053,14 96.49,15 7.984,16 2.925,17 1.827,18 2.737,19 1.299,20 1.299,21 3.966,22 66.311,23 66.311,24 2.649,25 2.913,26 2.913,27 8.898,28 2.5,29 179.538,30 429.834,31 24.288,32 2.687,33 5.487,34 2.792,35 2.873,37 14.139,38 2.854,39 2.279,40 3.81,41 1.181,42 1.052,43 3.77,44 1.266,45 30.017,46 2.735,47 3.414,48 25.545,49 2.627,50 1,51 1.107,52 12450,53 2.715,54 1.827,55 23.984,56 0.886,57 2.652,58 0.218,59 7.341,60 3.441,61 40.766,62 3.928,63 92,64 16.969,65 8.887,66 4.832,67 2.557,68 -0.384,69 17.648,70 5.7}
{0 CHEMBL2004892,1 8.035,2 5.975,3 3.234,4 1.654,5 1,6 15.285,7 0.674,8 0.674,9 179.659,10 1.583,11 1.583,12 154.751,13 1,14 85.059,15 8.132,16 2.916,17 1.729,18 2.656,19 1.183,20 1.183,21 3.72,22 62.919,23 62.919,24 2.469,25 3.167,26 3.167,27 7.025,28 2.125,29 148.692,30 354.568,31 18.635,32 2.64,33 5.233,34 2.697,35 2.814,36 6,37 12.107,38 2.801,39 2.161,40 3.706,41 1.064,42 1.007,43 4.014,44 1.154,45 24.387,46 2.564,47 3.124,48 21.275,49 2.364,50 0.684,51 1.107,52 8137,53 2.568,54 1.798,55 16.726,56 0.789,57 2.355,58 0.089,59 6.01,60 3.289,61 35.703,62 4.049,63 58,64 13.922,65 7.271,66 4.771,67 2.5,68 -1,69 15.035,70 5.7}
{0 CHEMBL2004934,1 14.648,2 18.717,3 3.497,4 2.057,5 1.619,6 17.648,7 1.08,8 1.08,9 164.474,10 2.584,11 2.584,12 144.365,13 1.249,14 98.225,15 8.23,16 2.955,17 1.987,18 2.869,19 1.478,20 1.478,21 4.164,22 70.184,23 70.184,24 2.687,25 3.512,26 3.512,27 9.719,28 2.548,29 183.535,30 439.585,31 26.632,32 2.801,33 5.487,34 2.854,35 2.925,36 1,37 14.57,38 2.895,39 2.421,40 3.903,41 1.181,42 1.078,43 4.033,44 1.38,45 30.711,46 2.735,47 3.456,48 27.305,49 2.715,50 1.099,51 1.107,52 13742,53 2.734,54 1.995,55 24.533,56 0.886,57 2.733,58 0.218,59 7.482,60 3.474,61 42.736,62 3.95,63 98,64 17.937,65 9.285,66 4.871,67 2.725,68 -0.365,69 18.518,70 5.7}
{0 CHEMBL2005186,1 20.292,2 31.925,3 4.364,4 2.523,5 1.972,6 23.493,7 1.552,8 1.552,9 230.388,10 4.21,11 4.21,12 199.192,13 1.818,14 128.495,15 11.046,16 3.355,17 2.761,18 3.374,19 1.924,20 1.924,21 5.218,22 90.003,23 90.003,24 2.945,25 5.794,26 5.794,27 9.229,28 3.034,29 233.906,30 562.492,31 26.548,32 3.213,33 8.594,34 3.031,35 3.091,36 3,37 18.871,38 3.297,39 2.885,40 4.165,41 1.448,42 1.308,43 5.023,44 1.846,45 39.796,46 3.126,47 4.283,48 38.539,49 2.904,50 1.534,51 1.499,52 26798,53 3.142,54 2.235,55 40.298,56 1.304,57 2.903,58 0.469,59 9.666,60 3.731,61 57.633,62 4.028,63 176,64 22.022,65 12.25,66 5.203,67 3.04,68 0.957,69 23.493,70 5.7}
{0 CHEMBL2005375,1 35.279,2 56.934,3 4.35,4 2.516,5 2.176,6 25.941,7 1.539,8 1.539,9 260.685,10 4.075,11 4.075,12 218.907,13 1.87,14 143.775,15 13.686,16 3.405,17 2.485,18 3.41,19 2.154,20 2.154,21 8.063,22 112.87,23 112.87,24 3.033,25 6.587,26 6.587,27 15.056,28 2.891,29 271.724,30 654.767,31 51.914,32 3.178,33 9.678,34 3.22,35 3.294,36 3,37 22.126,38 3.332,39 3.098,40 4.402,41 1.578,42 1.557,43 5.285,44 2.02,45 47.58,46 3.072,47 4.146,48 34.376,49 2.963,50 1.809,51 1.594,52 29623,53 3.089,54 2.451,55 42.97,56 1.324,57 2.959,58 0.825,59 7.191,60 3.887,61 64.046,62 3.905,63 199,64 26.09,65 14.224,66 5.187,67 3.084,68 1,69 25.941,70 5.7}
{0 CHEMBL2005475,1 5.939,2 5.692,3 3.491,4 2,5 1.266,6 16.709,7 1,8 1,9 183.567,10 2.465,11 2.465,12 161.556,13 1.119,14 99.096,15 9.442,16 3.019,17 1.776,18 2.703,19 1.37,20 1.37,21 5.841,22 69.429,23 69.429,24 2.688,25 3.227,26 3.227,27 8.862,28 2.5,29 178.47,30 427.226,31 25.908,32 2.866,33 6.753,34 2.854,35 2.925,36 1,37 14.364,38 2.946,39 2.347,40 3.924,41 1.306,42 1.139,43 3.978,44 1.327,45 30.972,46 2.778,47 3.247,48 16.972,49 2.715,50 1.001,51 1.405,52 10012,53 2.766,54 1.628,55 22.382,56 1.153,57 2.735,58 0.435,59 4.909,60 3.537,61 41.015,62 4.094,63 88,64 15.829,65 9.022,66 4.818,67 2.513,68 -0.704,69 16.355,70 5.7}
{0 CHEMBL2005482,1 30.291,2 47.421,3 4.811,4 2.958,5 2.473,6 30.735,7 2.024,8 2.024,9 336.824,10 5.432,11 5.432,12 299.327,13 1.999,14 174.046,15 15.488,16 3.497,17 2.891,18 3.625,19 2.347,20 2.347,21 8.446,22 121.512,23 121.512,24 3.405,25 7.203,26 7.203,27 14.51,28 3.378,29 303.742,30 732.89,31 39.038,32 3.445,33 13.004,34 3.181,35 3.216,36 2,37 25.184,38 3.463,39 3.303,40 4.536,41 1.576,42 1.455,43 5.465,44 2.215,45 51.83,46 3.276,47 4.549,48 53.028,49 3.096,50 2.048,51 1.603,52 56358,53 3.294,54 2.425,55 63.99,56 1.403,57 3.121,58 0.709,59 12.319,60 4.012,61 75.996,62 4.07,63 272,64 28.777,65 16.63,66 5.461,67 3.48,68 1.4,69 29.882,70 6}
{0 CHEMBL2005528,1 12.088,2 10.17,3 2.93,4 1.494,5 1.48,6 13.405,7 0.509,8 0.509,9 134.223,10 1.161,11 1.161,12 113.856,13 0.83,14 70.084,15 6.303,16 2.809,17 1.474,18 2.481,19 1.197,20 1.197,21 3.305,22 53.104,23 53.104,24 2.211,25 3.022,26 3.022,27 5.357,28 1.951,29 130.896,30 311.146,31 14.497,32 2.636,33 4.985,34 2.431,35 2.532,36 2,37 10.578,38 2.758,39 2.199,40 3.66,41 1.021,42 0.893,43 3.828,44 1.194,45 21.943,46 2.451,47 2.462,48 16.044,49 2.18,50 0.369,51 1.008,52 5273,53 2.498,54 1.477,55 12.964,56 0.705,57 2.188,58 0.109,59 4.711,60 3.151,61 33.33,62 4.076,63 60,64 12.24,65 7.24,66 4.61,67 2.095,68 -0.99,69 13.405,70 5.7}
{0 CHEMBL2005548,1 26.945,2 38.992,3 4.798,4 2.497,5 2.568,6 24.913,7 1.509,8 1.509,9 255.063,10 4.397,11 4.397,12 230.907,13 1.564,14 128.448,15 10.782,16 3.111,17 2.703,18 3.444,19 2.069,20 2.069,21 5.372,22 95.099,23 95.099,24 3.019,25 5.837,26 5.837,27 8.248,28 2.999,29 229.447,30 551.611,31 25.943,32 3.213,33 7.61,34 2.899,35 3.009,36 4,37 19.544,38 3.09,39 3.015,40 4.3,41 1.417,42 1.308,43 4.987,44 1.818,45 37.409,46 2.9,47 4.438,48 34.982,49 2.769,50 1.997,51 1.308,52 29257,53 2.919,54 2.389,55 39.605,56 1.082,57 2.797,58 0.469,59 8.263,60 3.66,61 57.814,62 4.009,63 157,64 23.457,65 12.051,66 5.176,67 3.06,68 0.764,69 23.913,70 5.7}
{0 CHEMBL2005631,1 21.624,2 25.287,3 4.44,4 2.465,5 2.142,6 22.311,7 1.489,8 1.489,9 238.95,10 4.028,11 4.028,12 209.006,13 1.689,14 124.504,15 10.574,16 3.236,17 2.69,18 3.382,19 1.978,20 1.978,21 5.933,22 92.333,23 92.333,24 2.952,25 5.387,26 5.387,27 10.911,28 2.94,29 220.985,30 530.963,31 30.328,32 3.049,33 8.463,34 3.08,35 3.167,36 7,37 18.14,38 3.167,39 2.936,40 4.266,41 1.324,42 1.258,43 4.933,44 1.89,45 36.614,46 2.984,47 4.113,48 36.753,49 2.864,50 1.703,51 1.383,52 25747,53 2.98,54 2.269,55 35.563,56 1.13,57 2.883,58 0.3,59 9.041,60 3.665,61 55.545,62 4.124,63 132,64 22.028,65 11.922,66 5.133,67 3.292,68 0.78,69 22.828,70 8.4}
{0 CHEMBL2005792,1 14.925,2 19.518,3 4.265,4 2.24,5 1.559,6 21.14,7 1.297,8 1.297,9 218.799,10 3.493,11 3.493,12 186.499,13 1.431,14 115.489,15 9.768,16 3.206,17 2.461,18 3.211,19 1.845,20 1.845,21 4.872,22 91.105,23 91.105,24 2.768,25 5.582,26 5.582,27 8.574,28 2.739,29 212.911,30 511.262,31 26.346,32 2.966,33 7.771,34 2.981,35 3.063,36 1,37 17.503,38 3.117,39 2.759,40 4.173,41 1.414,42 1.315,43 5.007,44 1.681,45 35.733,46 2.866,47 3.644,48 34.254,49 2.715,50 1.199,51 1.338,52 19579,53 2.878,54 2.174,55 31.27,56 1.067,57 2.735,58 0.469,59 8.337,60 3.589,61 53.362,62 4.006,63 140,64 21.165,65 11.545,66 5.078,67 3.016,68 0.599,69 22.01,70 5.7}
{0 CHEMBL2005828,1 17.311,2 22.301,3 3.81,4 2.031,5 1.539,6 18.803,7 1.065,8 1.065,9 182.808,10 2.687,11 2.687,12 158.721,13 1.422,14 103.173,15 8.328,16 3.102,17 2.455,18 3.232,19 1.795,20 1.795,21 4.163,22 70.68,23 70.68,24 2.687,25 4.868,26 4.868,27 7.317,28 2.553,29 182.806,30 437.807,31 21.991,32 2.884,33 6.786,34 2.854,35 2.925,36 5,37 14.562,38 2.997,39 2.795,40 3.915,41 1.181,42 1.107,43 4.606,44 1.784,45 30.506,46 2.735,47 3.414,48 29.646,49 2.715,50 1,51 1.218,52 16109,53 2.733,54 2.097,55 26.623,56 0.886,57 2.735,58 0.218,59 8.298,60 3.462,61 46.359,62 3.998,63 118,64 17.218,65 9.905,66 4.98,67 2.978,68 -0.076,69 18.803,70 5.7}
{0 CHEMBL2005886,1 32.179,2 47.172,3 4.523,4 2.661,5 2.234,6 24.156,7 1.718,8 1.718,9 246.921,10 4.556,11 4.556,12 216.735,13 1.747,14 133.134,15 11.597,16 3.221,17 2.417,18 3.304,19 1.971,20 1.971,21 6.29,22 99.741,23 99.741,24 3.01,25 5.661,26 5.661,27 12.355,28 2.968,29 238.631,30 574.02,31 39.649,32 3.175,33 9.136,34 3.111,35 3.206,36 6,37 19.524,38 3.155,39 2.949,40 4.295,41 1.513,42 1.371,43 4.983,44 1.867,45 40.625,46 2.997,47 4.089,48 34.511,49 2.91,50 1.689,51 1.429,52 27261,53 2.99,54 2.047,55 38.308,56 1.153,57 2.941,58 0.637,59 8.501,60 3.742,61 59.119,62 4.027,63 155,64 23.085,65 12.868,66 5.17,67 3.199,68 0.882,69 23.656,70 7.2}
{0 CHEMBL2005899,1 16.136,2 23.584,3 3.247,4 1.984,5 1.374,6 17.361,7 1,8 1,9 155.888,10 2.136,11 2.136,12 132.944,13 1.093,14 87.641,15 7.411,16 3.009,17 1.792,18 2.798,19 1.278,20 1.278,21 3.914,22 68.98,23 68.98,24 2.518,25 3.25,26 3.25,27 9.128,28 2.233,29 170.933,30 408.837,31 26.524,32 2.687,33 4.752,34 2.854,35 2.925,36 2,37 13.992,38 2.874,39 2.257,40 3.824,41 1.417,42 1.107,43 4.258,44 1.237,45 28.233,46 2.618,47 3.22,48 20.664,49 2.57,50 1,51 1.308,52 7987,53 2.579,54 1.636,55 16.284,56 0.934,57 2.618,58 0.469,59 5.134,60 3.351,61 39.494,62 3.872,63 65,64 17.202,65 8.119,66 4.758,67 2.5,68 -0.807,69 17.361,70 5.7}
{0 CHEMBL2005936,1 16.433,2 24.041,3 4.092,4 2.415,5 1.612,6 22.623,7 1.422,8 1.422,9 224.483,10 3.344,11 3.344,12 189.677,13 1.538,14 130.225,15 11.038,16 3.257,17 2.529,18 3.255,19 1.831,20 1.831,21 5.526,22 84.714,23 84.714,24 2.909,25 5.242,26 5.242,27 8.726,28 2.882,29 229.91,30 552.741,31 27.91,32 3.049,33 8.582,34 3.042,35 3.109,36 1,37 18.324,38 3.189,39 2.802,40 4.123,41 1.382,42 1.333,43 4.817,44 1.771,45 39.341,46 2.972,47 3.875,48 36.594,49 2.884,50 1.354,51 1.42,52 22524,53 2.976,54 2.332,55 35.796,56 1.212,57 2.882,58 0.484,59 9.236,60 3.734,61 56.562,62 4.038,63 168,64 21.111,65 12.159,66 5.175,67 2.977,68 0.834,69 22.623,70 5.7}
{0 CHEMBL2006188,1 22.508,2 34,3 3.584,4 2.235,5 1.62,6 21.347,7 1.253,8 1.253,9 180.313,10 2.81,11 2.81,12 158.949,13 1.36,14 121.018,15 10.053,16 3.278,17 1.922,18 2.82,19 1.579,20 1.579,21 4.916,22 85.118,23 85.118,24 2.974,25 3.772,26 3.772,27 12.163,28 2.598,29 224.702,30 540.033,31 34.792,32 3,33 6.528,34 3.143,35 3.189,36 6,37 17.391,38 3.165,39 2.551,40 4.008,41 1.435,42 1.315,43 4.207,44 1.531,45 38.069,46 2.943,47 3.501,48 31.041,49 2.893,50 1.151,51 1.45,52 17872,53 2.945,54 1.977,55 32.667,56 1.112,57 2.884,58 0.524,59 7.943,60 3.659,61 48.057,62 3.96,63 130,64 21.817,65 10.257,66 4.959,67 2.73,68 0.323,69 21.347,70 5.7}
{0 CHEMBL2006237,1 21.255,2 31.619,3 3.745,4 2.339,5 1.634,6 20.217,7 1.341,8 1.341,9 192.955,10 3.034,11 3.034,12 167.064,13 1.397,14 115.076,15 10.007,16 3.297,17 2.116,18 3.019,19 1.573,20 1.573,21 5.323,22 84.94,23 84.94,24 2.866,25 4.035,26 4.035,27 9.669,28 2.774,29 210.773,30 506.047,31 32.917,32 3.027,33 7.11,34 3.111,35 3.206,37 16.688,38 3.203,39 2.54,40 4.001,41 1.483,42 1.419,43 4.372,44 1.52,45 36.108,46 2.948,47 3.595,48 26.669,49 2.91,50 1.274,51 1.429,52 18077,53 2.95,54 2.097,55 32.961,56 1.153,57 2.941,58 0.526,59 7.199,60 3.598,61 48.799,62 4.012,63 147,64 19.832,65 10.405,66 4.97,67 2.888,68 0.1,69 20.217,70 5.7}
{0 CHEMBL2006263,1 12.483,2 8.394,3 3.414,4 2,5 1.223,6 16.863,7 1,8 1,9 201.28,10 2.275,11 2.275,12 172.043,13 1.003,14 89.947,15 8.467,16 2.974,17 2.261,18 3.056,19 1.559,20 1.559,21 4.915,22 68.131,23 68.131,24 2.687,25 4.537,26 4.537,27 7.588,28 2.436,29 164.949,30 394.236,31 22.805,32 2.74,33 6.314,34 2.854,35 2.925,36 1,37 13.554,38 2.894,39 2.546,40 3.974,41 1.161,42 1.107,43 4.572,44 1.536,45 27.148,46 2.739,47 3.236,48 24.878,49 2.715,50 0.54,51 1.129,52 9422,53 2.718,54 1.997,55 17.467,56 0.9,57 2.735,58 0.205,59 6.64,60 3.387,61 39.383,62 4.083,63 79,64 15.566,65 8.505,66 4.846,67 2.5,68 -0.879,69 16.613,70 5.7}
{0 CHEMBL2006276,1 26.994,2 48.592,3 3.591,4 2.148,5 1.448,6 17.225,7 1.148,8 1.148,9 172.06,10 2.943,11 2.943,12 146.642,13 1.308,14 94.534,15 7.809,16 3.018,17 2.054,18 2.891,19 1.44,20 1.44,21 3.987,22 64.949,23 64.949,24 2.687,25 3.32,26 3.32,27 8.049,28 2.643,29 169.347,30 404.967,31 21.768,32 2.826,33 6.76,34 2.854,35 2.925,36 2,37 13.537,38 2.931,39 2.405,40 3.984,41 1.181,42 1.107,43 4.011,44 1.394,45 28.5,46 2.735,47 3.247,48 27.561,49 2.715,50 1.228,51 1.126,52 11180,53 2.717,54 1.932,55 20.848,56 0.886,57 2.702,58 0.218,59 7.797,60 3.402,61 42.677,62 3.946,63 91,64 15.633,65 9.407,66 4.887,67 2.838,68 -0.145,69 17.225,70 5.7}
{0 CHEMBL2006439,1 11.088,2 19.407,3 3.563,4 2,5 1.408,6 16.148,7 1.027,8 1.027,9 165.584,10 2.557,11 2.557,12 149.994,13 1.321,14 93.388,15 8.408,16 2.943,17 2.108,18 2.917,19 1.455,20 1.455,21 4.554,22 63.504,23 63.504,24 2.743,25 3.447,26 3.447,27 6.291,28 2.427,29 166.079,30 396.993,31 22.069,32 2.866,33 6.249,34 2.785,35 2.86,36 2,37 13.475,38 2.874,39 2.4,40 3.83,41 1.161,42 1.013,43 4.005,44 1.352,45 28.216,46 2.666,47 3.247,48 18.376,49 2.6,50 1,51 1.159,52 8708,53 2.692,54 1.602,55 17.361,56 0.998,57 2.597,58 0.274,59 5.35,60 3.403,61 39.279,62 4.014,63 75,64 14.766,65 8.462,66 4.779,67 2.527,68 -0.705,69 15.648,70 5.7}
{0 CHEMBL2006493,1 16.524,2 20.068,3 2.996,4 0.971,5 1.403,6 11.991,9 154.446,12 137.432,13 0.951,14 65.454,15 6.079,16 2.699,17 1.611,18 2.606,19 1.353,20 1.353,21 3.379,22 49.539,23 49.539,24 2.262,25 3.358,26 3.358,27 4.706,28 1.457,29 120.902,30 286.761,31 10.919,32 2.546,33 4.676,34 2.336,35 2.359,37 10.212,38 2.67,39 2.345,40 3.847,41 0.722,42 0.518,43 4.065,44 1.333,45 19.744,46 2.404,47 2.889,48 18.965,49 2.071,50 0.577,51 0.818,52 6999,53 2.46,54 1.831,55 12.6,56 0.528,57 2.001,59 4.714,60 3.1,61 35.643,62 3.951,63 42,64 13.079,65 7.59,66 4.677,67 2.302,68 -0.632,69 14.491,70 5.7}
{0 CHEMBL2006567,1 11.616,2 15.684,3 2.65,4 0.834,5 0.721,6 13.475,7 -0.111,8 -0.111,9 126.023,10 -0.212,11 -0.212,12 117.04,13 0.525,14 71.456,15 6.066,16 2.609,17 1.063,18 2.342,19 0.65,20 0.65,21 2.944,22 50.367,23 50.367,24 2.243,25 1.373,26 1.373,27 3.851,28 1.465,29 129.977,30 308.904,31 9.092,32 2.414,33 3.749,34 2.441,35 2.516,36 3,37 10.414,38 2.509,39 1.568,40 3.483,41 0.839,42 0.633,43 3.136,44 0.586,45 20.409,46 2.368,47 2.523,48 17.308,49 2.141,50 0.45,51 0.878,52 4855,53 2.293,54 1.54,55 11.444,56 0.481,57 2.126,59 5.144,60 3.086,61 29.152,62 3.968,63 44,64 12.533,65 5.873,66 4.572,67 2.118,68 -1.45,69 13.121,70 5.7}
{0 CHEMBL2006581,1 16.638,2 15.513,3 3.427,4 2.017,5 1.599,6 19.363,7 1.129,8 1.129,9 216.135,10 2.098,11 2.098,12 190.73,13 1.141,14 95.991,15 9.138,16 3.002,17 1.859,18 2.804,19 1.334,20 1.334,21 4.579,22 82.387,23 82.387,24 2.742,25 3.336,26 3.336,27 7.548,28 2.212,29 182.003,30 435.847,31 26.533,32 2.878,33 5.801,34 2.749,35 2.83,36 2,37 14.895,38 2.937,39 2.304,40 4.151,41 1.09,42 1.019,43 4.097,44 1.266,45 28.676,46 2.663,47 3.074,48 26.786,49 2.579,50 1.079,51 1.118,52 13160,53 2.688,54 1.824,55 19.846,56 0.829,57 2.594,58 0.114,59 6.543,60 3.39,61 40.588,62 4.064,63 86,64 19.467,65 8.4,66 4.828,67 2.661,68 -0.494,69 18.613,70 5.7}
{0 CHEMBL2006778,1 11.573,2 7.825,3 4.27,4 2.079,5 1.768,6 18.612,7 1.121,8 1.121,9 212.125,10 3.376,11 3.376,12 182.572,13 1.585,14 109.275,15 9.203,16 3.055,17 2.597,18 3.267,19 1.818,20 1.818,21 5.468,22 76.29,23 76.29,24 2.795,25 5.141,26 5.141,27 9.909,28 2.614,29 187.272,30 448.704,31 24.761,32 2.942,33 7.708,34 2.96,35 3.029,36 5,37 15.577,38 2.981,39 2.76,40 4.106,41 1.256,42 1.206,43 4.774,44 1.707,45 31.392,46 2.825,47 3.687,48 27.944,49 2.764,50 1.105,51 1.226,52 14221,53 2.822,54 2.119,55 25.029,56 0.962,57 2.793,58 0.316,59 7.341,60 3.536,61 48.449,62 4.152,63 114,64 17.835,65 10.406,66 5.011,67 3.107,68 0.06,69 19.129,70 8.6}
{0 CHEMBL2006785,1 13.727,2 14.03,3 3.414,4 1.929,5 1.883,6 17.914,7 0.993,8 0.993,9 204.112,10 2.275,11 2.275,12 183.624,13 1,14 94.863,15 8.268,16 2.925,17 1.904,18 2.915,19 1.414,20 1.414,21 5.263,22 59.759,23 59.759,24 2.799,25 3.79,26 3.79,27 5.903,28 2.5,29 167.768,30 401.113,31 18.558,32 2.851,33 7.259,34 2.854,35 2.91,36 1,37 14.312,38 2.874,39 2.385,40 4.23,41 0.958,42 0.94,43 4.254,44 1.356,45 26.636,46 2.735,47 3.022,48 22.193,49 2.678,50 1,51 0.999,52 9840,53 2.715,54 1.723,55 15.928,56 0.845,57 2.675,58 0.065,59 6.253,60 3.393,61 40.051,62 4.124,63 83,64 16.104,65 8.781,66 4.86,67 2.773,68 -0.282,69 16.56,70 5.7}
{0 CHEMBL2006933,1 3.337,2 1.827,3 2.725,4 0.791,5 1.139,6 12.182,7 -0.109,8 -0.109,9 133.855,10 -0.217,11 -0.217,12 116.154,13 0.501,14 68.873,15 6.419,16 2.563,17 1.224,18 2.307,19 0.89,20 0.89,21 3.55,22 45.057,23 45.057,24 2.24,25 2.033,26 2.033,27 5.238,28 1.255,29 121.515,30 288.256,31 13.942,32 2.339,33 4.978,34 2.348,35 2.416,37 10.03,38 2.5,39 1.826,40 3.722,41 0.8,42 0.591,43 3.458,44 0.823,45 20.159,46 2.285,47 2.376,48 14.984,49 2.154,50 -0.023,51 0.761,52 3799,53 2.28,54 1.403,55 9.107,56 0.468,57 2.137,59 4.791,60 3.129,61 29.885,62 4.098,63 41,64 10.513,65 6.753,66 4.543,67 1.834,68 -1.423,69 11.828,70 5.7}
{0 CHEMBL2007002,1 12.596,2 15.484,3 3.879,4 2.334,5 1.53,6 18.803,7 1.329,8 1.329,9 184.415,10 3.111,11 3.111,12 156.692,13 1.412,14 102.25,15 8.374,16 2.981,17 2.187,18 2.979,19 1.538,20 1.538,21 4.323,22 68.98,23 68.98,24 2.687,25 3.954,26 3.954,27 8,28 2.821,29 182.806,30 437.807,31 21.206,32 2.813,33 6.766,34 2.854,35 2.925,36 8,37 14.562,38 2.926,39 2.491,40 3.968,41 1.181,42 1.107,43 4.344,44 1.472,45 30.71,46 2.798,47 3.531,48 30.234,49 2.715,50 1.159,51 1.127,52 14627,53 2.794,54 2.172,55 25.306,56 0.944,57 2.735,58 0.226,59 8.263,60 3.487,61 46.333,62 4.047,63 104,64 17.28,65 10.264,66 4.98,67 2.879,68 0.279,69 18.803,70 5.7}
{0 CHEMBL2007044,1 20.724,2 21.796,3 3.791,4 2.103,5 1.955,6 19.51,7 1.123,8 1.123,9 186.103,10 2.654,11 2.654,12 155.938,13 1.204,14 113.013,15 9.514,16 3.202,17 2.182,18 3.111,19 1.668,20 1.668,21 5.195,22 67.231,23 67.231,24 2.851,25 5.181,26 5.181,27 9.743,28 2.869,29 200.663,30 481.379,31 25.844,32 3.04,33 6.892,34 3.023,35 3.111,36 1,37 16.081,38 3.149,39 2.66,40 3.947,41 1.356,42 1.226,43 4.887,44 1.654,45 34.12,46 3.001,47 3.452,48 26.574,49 2.837,50 1.254,51 1.456,52 15863,53 3.019,54 2.199,55 34.25,56 1.238,57 2.845,58 0.393,59 7.426,60 3.59,61 48.005,62 4.055,63 126,64 18.145,65 10.668,66 5.045,67 3.099,68 0.311,69 19.51,70 5.7}
{0 CHEMBL2007064,1 14.447,2 15.203,3 3.595,4 1.909,5 1.506,6 16.56,7 0.906,8 0.906,9 153.981,10 2.279,11 2.279,12 132.75,13 1.358,14 88.378,15 7.494,16 3.004,17 2.037,18 2.911,19 1.579,20 1.579,21 4.219,22 62.787,23 62.787,24 2.624,25 4.491,26 4.491,27 8.852,28 2.429,29 163.411,30 390.482,31 23.778,32 2.766,33 5.44,34 2.844,35 2.931,36 6,37 13.065,38 2.947,39 2.543,40 3.761,41 1.162,42 1.103,43 4.584,44 1.518,45 27.466,46 2.667,47 3.246,48 20.935,49 2.629,50 0.921,51 1.197,52 9156,53 2.686,54 1.963,55 17.947,56 0.858,57 2.641,58 0.261,59 5.924,60 3.375,61 39.985,62 3.994,63 77,64 15.566,65 8.4,66 4.794,67 2.839,68 -0.611,69 16.56,70 6.4}
{0 CHEMBL2007151,1 27.304,2 30.322,3 4.506,4 2.656,5 1.872,6 24.485,7 1.695,8 1.695,9 253.812,10 4.515,11 4.515,12 211.673,13 1.651,14 146.706,15 13.31,16 3.27,17 2.353,18 3.192,19 2.019,20 2.019,21 8.117,22 98.291,23 98.291,24 2.965,25 5.796,26 5.796,27 18.376,28 2.915,29 262.874,30 633.173,31 49.328,32 3.102,33 10.09,34 3.111,35 3.206,36 3,37 21.067,38 3.225,39 2.979,40 4.296,41 1.643,42 1.429,43 5.099,44 1.934,45 46.904,46 3.042,47 4.34,48 33.371,49 2.931,50 1.626,51 1.616,52 26791,53 3.046,54 2.445,55 45.046,56 1.368,57 2.941,58 0.852,59 8.181,60 3.908,61 62.959,62 4.068,63 192,64 23.512,65 14.004,66 5.223,67 3.1,68 1,69 24.485,70 5.7}
{0 CHEMBL2007296,1 14.099,2 19.218,3 3.449,4 2.066,5 1.42,6 19.062,7 1.091,8 1.091,9 161.646,10 2.439,11 2.439,12 143.199,13 1.212,14 107.281,15 9.212,16 3.063,17 1.844,18 2.757,19 1.406,20 1.406,21 4.339,22 71.213,23 71.213,24 2.687,25 2.996,26 2.996,27 10.432,28 2.5,29 201.521,30 483.472,31 27.069,32 2.819,33 5.856,34 2.854,35 2.925,36 1,37 15.683,38 2.996,39 2.381,40 3.869,41 1.26,42 1.107,43 3.787,44 1.361,45 34.296,46 2.777,47 3.414,48 26.206,49 2.715,50 1.12,51 1.288,52 14612,53 2.779,54 1.859,55 29.235,56 0.964,57 2.735,58 0.281,59 7.184,60 3.58,61 43.36,62 3.951,63 125,64 18.97,65 9.275,66 4.879,67 2.557,68 -0.278,69 19.062,70 5.7}
{0 CHEMBL2007592,1 15.889,2 20.315,3 3.615,4 2.012,5 1.407,6 15.742,7 1.044,8 1.044,9 202.118,10 2.62,11 2.62,12 171.58,13 1.319,14 88.206,15 8.615,16 2.925,17 1.876,18 2.795,19 1.474,20 1.474,21 5.654,22 61.96,23 61.96,24 2.663,25 3.949,26 3.949,27 5.304,28 2.476,29 155.758,30 371.811,31 16.466,32 2.687,33 8.383,34 2.762,35 2.825,36 2,37 13.19,38 2.854,39 2.427,40 4.011,41 1.181,42 1.04,43 4.358,44 1.385,45 26.932,46 2.735,47 3.5,48 19.298,49 2.618,50 1.033,51 1.107,52 8316,53 2.715,54 1.945,55 16.628,56 0.886,57 2.616,58 0.218,59 5.622,60 3.424,61 42.617,62 4.058,63 71,64 13.44,65 9.528,66 4.875,67 2.5,68 -0.612,69 15.389,70 5.7}
{0 CHEMBL2010872,1 30.846,2 39.65,3 4.868,4 2.852,5 2.173,6 24.551,7 1.888,8 1.888,9 282.591,10 5.242,11 5.242,12 228.147,13 1.951,14 140.818,15 12.481,16 3.395,17 2.938,18 3.585,19 2.229,20 2.229,21 7.313,22 93.929,23 93.929,24 2.939,25 6.698,26 6.698,27 14.722,28 3.144,29 244.03,30 587.193,31 35.045,32 3.201,33 12.47,34 3.034,35 3.098,36 4,37 20.592,38 3.324,39 3.195,40 4.381,41 1.52,42 1.451,43 5.416,44 2.145,45 43.108,46 3.149,47 4.758,48 39.146,49 2.879,50 2.015,51 1.579,52 25280,53 3.155,54 2.367,55 37.556,56 1.322,57 2.874,58 0.698,59 9.037,60 3.841,61 67.907,62 4.216,63 173,64 21.726,65 14.567,66 5.33,67 3.289,68 1.012,69 24.551,70 7.051}
{0 CHEMBL2012519,1 21.742,2 22.208,3 3.485,4 1.983,5 1.619,6 19.267,7 0.995,8 0.995,9 163.832,10 2.225,11 2.225,12 145.825,13 1.178,14 95.016,15 8.505,16 3.092,17 2.022,18 2.998,19 1.68,20 1.68,21 4.273,22 71.792,23 71.792,24 2.795,25 4.398,26 4.398,27 12.149,28 2.232,29 188.647,30 452.06,31 38.521,32 2.908,33 4.632,34 2.977,35 3.035,36 7,37 14.845,38 3.056,39 2.647,40 4.038,41 1.262,42 1.212,43 4.549,44 1.597,45 31.318,46 2.797,47 3.042,48 24.238,49 2.762,50 1.13,51 1.235,52 11857,53 2.805,54 2.016,55 14.462,56 0.975,57 2.765,58 0.43,59 5.448,60 3.453,61 42.167,62 3.903,63 76,64 20.429,65 8.937,66 4.775,67 2.569,68 0.033,69 19.267,70 5}
{0 CHEMBL2048912,1 27.378,2 40.463,3 4.411,4 2.645,5 2.168,6 26.139,7 1.682,8 1.682,9 284.226,10 4.298,11 4.298,12 252.713,13 1.736,14 142.383,15 12.394,16 3.334,17 2.765,18 3.412,19 2.024,20 2.024,21 6.606,22 106.626,23 106.626,24 3.143,25 6.01,26 6.01,27 10.866,28 3.048,29 253.5,30 610.299,31 32.281,32 3.312,33 9.338,34 3.098,35 3.153,37 21.229,38 3.274,39 2.946,40 4.405,41 1.417,42 1.308,43 5.131,44 1.855,45 42.307,46 3.076,47 4.216,48 38.62,49 2.915,50 1.816,51 1.413,52 35168,53 3.091,54 2.168,55 46.62,56 1.242,57 2.903,58 0.469,59 9.362,60 3.784,61 61.918,62 4.048,63 165,64 24.746,65 13.552,66 5.26,67 3.291,68 0.937,69 25.286,70 5}
{0 CHEMBL207400,1 16.962,2 22.451,3 3.67,4 1.511,5 1.442,6 13.525,7 0.491,8 0.491,9 182.363,10 1.315,11 1.315,12 163.349,13 0.918,14 69.07,15 6.068,16 2.721,17 1.786,18 2.719,19 1.345,20 1.345,21 3.38,22 60.425,23 60.425,24 2.378,25 4.26,26 4.26,27 5.102,28 1.954,29 126.437,30 300.266,31 7.789,32 2.584,33 5.619,34 2.362,35 2.395,36 1,37 11.197,38 2.679,39 2.271,40 4.022,41 0.725,42 0.69,43 4.656,44 1.22,45 19.642,46 2.341,47 3.019,48 22.279,49 2.026,50 0.602,51 0.796,52 7826,53 2.397,54 1.85,55 12.154,56 0.534,57 1.945,59 5.451,60 3.04,61 39.335,62 3.965,63 51,64 14.233,65 8.086,66 4.743,67 2.426,68 -0.51,69 15.525,70 5.7}
{0 CHEMBL207995,1 19.839,2 25.162,3 2.95,4 1.507,5 1.908,6 17.32,7 0.579,8 0.579,9 154.016,10 0.957,11 0.957,12 142.516,13 0.867,14 81.716,15 6.577,16 2.835,17 1.5,18 2.926,19 1.011,20 1.011,21 3.029,22 63.578,23 63.578,24 2.578,25 2.275,26 2.275,27 4.74,28 2.421,29 155.296,30 370.681,31 14.547,32 2.849,33 4.89,34 2.702,35 2.792,36 2,37 12.587,38 2.783,39 1.933,40 3.88,41 1.008,42 0.924,43 3.657,44 0.915,45 23.534,46 2.656,47 2.795,48 25.479,49 2.49,50 1,51 0.98,52 11614,53 2.63,54 1.835,55 19.456,56 0.772,57 2.473,59 7.214,60 3.144,61 36.743,62 3.877,63 92,64 16.691,65 7.785,66 4.771,67 2.5,68 -0.486,69 16.82,70 5.7}
{0 CHEMBL208637,1 15.702,2 22.096,3 2,4 0.557,5 0.558,6 12.129,7 -0.388,8 -0.388,9 93.147,10 -0.897,11 -0.897,12 85.752,13 -0.247,14 59.26,15 4.691,16 2.626,17 -0.157,18 1.491,19 -0.105,20 -0.105,21 1.714,22 48.367,23 48.367,24 1.976,25 -0.186,26 -0.186,27 2.752,28 0.915,29 116.906,30 277.01,31 11.372,32 2.238,33 2.648,34 2.31,35 2.443,36 3,37 9.073,38 2.516,39 0.841,40 3.347,41 0.839,42 0.674,43 2.607,44 -0.098,45 17.977,46 2.121,47 1.642,48 14.754,49 1.974,50 -0.119,51 0.869,52 3476,53 2.139,54 1.091,55 10.75,56 0.442,57 2.007,59 4.441,60 2.848,61 24.571,62 3.8,63 36,64 12.278,65 4.613,66 4.35,67 1,68 -1.604,69 12.129,70 5.711}
{0 CHEMBL209534,1 16.608,2 17.782,3 3.049,4 1.702,5 1.538,6 15.949,7 0.77,8 0.77,9 133.726,10 1.36,11 1.36,12 118.751,13 0.954,14 81.425,15 6.658,16 2.896,17 1.5,18 2.747,19 1.172,20 1.172,21 2.818,22 61.933,23 61.933,24 2.619,25 2.329,26 2.329,27 4.631,28 2.181,29 155.486,30 371.146,31 15.438,32 2.752,33 4.424,34 2.755,35 2.839,36 1,37 12.036,38 2.844,39 2.082,40 3.705,41 1.037,42 0.978,43 3.546,44 1.056,45 24.745,46 2.571,47 2.824,48 22.754,49 2.542,50 1,51 1.022,52 8728,53 2.607,54 1.513,55 18.777,56 0.75,57 2.517,58 0.043,59 6.417,60 3.205,61 34.805,62 3.833,63 74,64 15.747,65 7.307,66 4.7,67 2.5,68 -0.716,69 15.949,70 5.7}
{0 CHEMBL210032,1 11.616,2 15.684,3 2.682,4 0.836,5 1,6 13.828,7 -0.11,8 -0.11,9 114.991,10 -0.208,11 -0.208,12 102.098,13 0.722,14 72.499,15 5.652,16 2.919,17 1.5,18 2.597,19 1,20 1,21 2.513,22 49.258,23 49.258,24 2.289,25 2.136,26 2.136,27 3.853,28 1.481,29 135.103,30 321.412,31 11.658,32 2.687,33 4.03,34 2.544,35 2.655,36 5,37 10.344,38 2.835,39 2,40 3.529,41 1.014,42 0.869,43 3.297,44 1,45 21.523,46 2.546,47 2.525,48 19.95,49 2.205,50 0.489,51 1.035,52 5275,53 2.576,54 1.701,55 12.875,56 0.77,57 2.186,59 5.889,60 3.107,61 30.662,62 3.931,63 49,64 12.912,65 6.123,66 4.615,67 2.5,68 -1.001,69 13.828,70 5.721}
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{0 CHEMBL230011,1 10.638,2 9.826,3 3.972,4 2.215,5 1.492,6 18.259,7 1.236,8 1.236,9 183.285,10 3.058,11 3.058,12 156.754,13 1.365,14 95.202,15 7.706,16 2.973,17 2.538,18 3.269,19 1.889,20 1.889,21 3.815,22 67.006,23 67.006,24 2.757,25 5.438,26 5.438,27 5.438,28 2.697,29 170.416,30 407.575,31 15.109,32 2.819,33 7.121,34 2.872,35 2.944,36 6,37 13.457,38 2.936,39 2.826,40 3.98,41 1.138,42 1.071,43 4.888,44 1.761,45 27.989,46 2.746,47 3.484,48 31.77,49 2.724,50 1.091,51 1.131,52 12062,53 2.749,54 1.951,55 19.941,56 0.883,57 2.724,58 0.106,59 8.228,60 3.384,61 45.569,62 3.982,63 74,64 16.21,65 9.65,66 4.961,67 2.868,68 -0.258,69 18.259,70 5}
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{0 CHEMBL231209,1 16.513,2 22.779,3 3.81,4 2.172,5 1.539,6 18.286,7 1.182,8 1.182,9 199.943,10 2.689,11 2.689,12 179.404,13 1.45,14 105.985,15 9.036,16 2.965,17 2.381,18 3.165,19 1.743,20 1.743,21 4.999,22 73.435,23 73.435,24 2.757,25 4.688,26 4.688,27 8.574,28 2.658,29 184.345,30 441.561,31 23.318,32 2.842,33 7.248,34 2.868,35 2.939,36 5,37 14.886,38 2.907,39 2.716,40 4.004,41 1.181,42 1.083,43 4.542,44 1.672,45 30.631,46 2.735,47 3.479,48 28.9,49 2.717,50 1.088,51 1.107,52 16947,53 2.737,54 2.001,55 26.123,56 0.886,57 2.733,58 0.159,59 8.008,60 3.514,61 46.346,62 4.112,63 99,64 17.588,65 9.814,66 4.98,67 2.977,68 0.185,69 18.803,70 5.7}
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{0 CHEMBL233338,1 21.691,2 26.203,3 3.816,4 2.425,5 1.902,6 22.148,7 1.451,8 1.451,9 226.71,10 3.074,11 3.074,12 198.841,13 1.521,14 123.424,15 11.79,16 3.218,17 2.298,18 3.095,19 1.698,20 1.698,21 6.829,22 95.88,23 95.88,24 2.866,25 4.283,26 4.283,27 11.364,28 2.594,29 231.496,30 556.611,31 36.812,32 3.065,33 7.38,34 3.111,35 3.206,36 1,37 18.659,38 3.154,39 2.696,40 4.175,41 1.513,42 1.429,43 4.523,44 1.687,45 39.722,46 2.941,47 3.656,48 27.606,49 2.91,50 1.382,51 1.454,52 19299,53 2.947,54 1.99,55 34.537,56 1.271,57 2.93,58 0.683,59 6.431,60 3.73,61 52.322,62 4.011,63 130,64 22.128,65 11.579,66 5.035,67 2.919,68 0.618,69 21.794,70 5.222}
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{0 CHEMBL2347053,1 12.473,2 15.835,3 3.61,4 2.192,5 1.476,6 17.389,7 1.216,8 1.216,9 177.891,10 2.83,11 2.83,12 149.553,13 1.358,14 93.976,15 7.545,16 2.885,17 2.081,18 2.912,19 1.484,20 1.484,21 4.049,22 61.917,23 61.917,24 2.588,25 3.47,26 3.47,27 6.112,28 2.679,29 160.824,30 384.169,31 15.557,32 2.694,33 6.608,34 2.721,35 2.799,36 2,37 12.893,38 2.822,39 2.476,40 3.874,41 1.151,42 1.014,43 4.072,44 1.471,45 26.432,46 2.712,47 3.482,48 28.757,49 2.515,50 1.227,51 1.14,52 11856,53 2.7,54 1.869,55 17.52,56 0.953,57 2.508,58 0.213,59 7.847,60 3.361,61 44.149,62 3.993,63 73,64 15.303,65 9.497,66 4.958,67 2.839,68 -0.18,69 17.389,70 7.602}
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{0 CHEMBL243088,1 23.408,2 42.894,3 3.474,4 2.109,5 1.311,6 16.941,7 1.154,8 1.154,9 151.81,10 2.558,11 2.558,12 136.636,13 1.176,14 88.407,15 7.101,16 2.967,17 2.015,18 2.861,19 1.414,20 1.414,21 3.178,22 63.877,23 63.877,24 2.563,25 3.133,26 3.133,27 5.049,28 2.636,29 161.552,30 385.947,31 16.541,32 2.787,33 5.29,34 2.709,35 2.779,36 5,37 12.471,38 2.922,39 2.399,40 3.758,41 1.132,42 0.956,43 3.724,44 1.391,45 26.193,46 2.745,47 3.466,48 26.561,49 2.505,50 1.175,51 1.13,52 11571,53 2.747,54 1.849,55 20,56 0.883,57 2.49,58 0.137,59 7.588,60 3.296,61 39.232,62 3.879,63 76,64 15.929,65 8.063,66 4.808,67 2.676,68 -0.46,69 16.941,70 6.3}
{0 CHEMBL244378,1 21.251,2 40.027,3 3.497,4 2.127,5 1.468,6 17.933,7 1.186,8 1.186,9 175.729,10 2.622,11 2.622,12 153.641,13 1.394,14 96.478,15 7.819,16 3.025,17 2.301,18 3.034,19 1.534,20 1.534,21 3.767,22 67.006,23 67.006,24 2.687,25 4.202,26 4.202,27 5.485,28 2.661,29 170.416,30 407.575,31 17.658,32 2.831,33 6.25,34 2.805,35 2.877,36 5,37 13.471,38 2.949,39 2.515,40 3.848,41 1.163,42 1.053,43 4.361,44 1.502,45 27.989,46 2.793,47 3.466,48 28.689,49 2.637,50 1.206,51 1.185,52 14511,53 2.792,54 1.918,55 22.515,56 0.947,57 2.624,58 0.204,59 8.175,60 3.376,61 43.827,62 3.984,63 82,64 16.21,65 9.417,66 4.945,67 2.863,68 0.075,69 17.933,70 6.6}
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{0 CHEMBL24828,1 25.914,2 33.11,3 4.133,4 2.359,5 2.025,6 21.217,7 1.417,8 1.417,9 232.1,10 3.629,11 3.629,12 241.478,13 1.464,14 118.666,15 10.687,16 3.206,17 2.242,18 3.116,19 1.952,20 1.952,21 5.911,22 92.617,23 92.617,24 2.882,25 5.661,26 5.661,27 10.733,28 2.833,29 217.091,30 521.462,31 35.628,32 3.022,33 7.975,34 3.061,35 3.135,37 18.577,38 3.111,39 2.861,40 4.303,41 1.425,42 1.28,43 4.89,44 1.659,45 36.597,46 2.941,47 3.903,48 27.054,49 2.855,50 1.47,51 1.428,52 19846,53 2.91,54 1.941,55 33.431,56 1.143,57 2.873,58 0.541,59 7.11,60 3.624,61 50.647,62 3.98,63 142,64 21.29,65 11.028,66 4.992,67 2.99,68 0.23,69 21.087,70 5.479}
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{0 CHEMBL260092,1 29.567,2 44.48,3 4.356,4 2.422,5 1.845,6 20.217,7 1.471,8 1.471,9 221.738,10 4.101,11 4.101,12 201.914,13 1.508,14 115.957,15 9.57,16 3.191,17 2.558,18 3.313,19 1.96,20 1.96,21 4.675,22 90.489,23 90.489,24 2.78,25 5.296,26 5.296,27 8.089,28 2.871,29 205.586,30 493.389,31 24.625,32 3.026,33 6.961,34 2.92,35 3.03,36 7,37 16.571,38 3.106,39 2.924,40 4.205,41 1.204,42 1.211,43 4.75,44 1.848,45 33.637,46 2.864,47 4.019,48 37.824,49 2.715,50 1.592,51 1.29,52 28799,53 2.89,54 2.27,55 34.75,56 1.008,57 2.735,58 0.246,59 9.145,60 3.546,61 53.244,62 3.912,63 122,64 21.753,65 11.333,66 5.103,67 3.023,68 0.51,69 22.717,70 5.7}
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{0 CHEMBL262433,1 17.267,2 22.095,3 4.109,4 2.348,5 1.801,6 19.156,7 1.372,8 1.372,9 213.647,10 3.598,11 3.598,12 189.458,13 1.42,14 108.389,15 9.088,16 3.106,17 2.598,18 3.351,19 1.944,20 1.944,21 4.845,22 78.506,23 78.506,24 2.753,25 5.322,26 5.322,27 7.731,28 2.808,29 188.341,30 451.312,31 23.08,32 2.956,33 7.378,34 2.862,35 2.935,36 6,37 15.549,38 3,39 2.87,40 4.085,41 1.181,42 1.107,43 4.801,44 1.749,45 30.881,46 2.811,47 3.81,48 30.499,49 2.715,50 1.088,51 1.198,52 18742,53 2.787,54 2.071,55 27.214,56 0.888,57 2.735,58 0.218,59 8.236,60 3.492,61 48.439,62 4.025,63 98,64 18.417,65 10.363,66 5.014,67 2.988,68 0.213,69 19.673,70 5.9}
{0 CHEMBL26559,1 7.007,2 4.104,3 3.47,4 1.611,5 1.081,6 13.853,7 0.652,8 0.652,9 150.658,10 1.641,11 1.641,12 121.545,13 1.005,14 79.542,15 6.639,16 2.865,17 2.094,18 2.898,19 1.406,20 1.406,21 4.161,22 48.184,23 48.184,24 2.449,25 3.175,26 3.175,27 8.101,28 2.057,29 138.432,30 329.535,31 20.088,32 2.583,33 6.633,34 2.659,35 2.741,36 3,37 11.359,38 2.785,39 2.348,40 3.783,41 1.095,42 1.009,43 3.962,44 1.32,45 24.034,46 2.634,47 3.283,48 18.62,49 2.44,50 0.606,51 1.036,52 5179,53 2.609,54 1.881,55 11.3,56 0.813,57 2.451,58 0.174,59 5.719,60 3.293,61 37.844,62 4.203,63 47,64 11.593,65 8.382,66 4.779,67 2.487,68 -0.869,69 13.853,70 6.398}
{0 CHEMBL271381,1 20.842,2 27.457,3 4.368,4 2.304,5 1.625,6 21.38,7 1.362,8 1.362,9 226.06,10 3.805,11 3.805,12 235.583,13 1.449,14 114.497,15 9.501,16 3.01,17 2.385,18 3.169,19 1.752,20 1.752,21 4.862,22 79.603,23 79.603,24 2.792,25 4.713,26 4.713,27 8.974,28 2.744,29 201.514,30 483.455,31 27.628,32 3.064,33 7.56,34 2.87,35 2.925,36 7,37 16.987,38 2.946,39 2.691,40 4.223,41 1.181,42 1.107,43 4.562,44 1.548,45 33.068,46 2.866,47 3.651,48 31.156,49 2.759,50 1.274,51 1.159,52 20324,53 2.801,54 2.16,55 29.857,56 0.933,57 2.771,58 0.218,59 8.461,60 3.541,61 49.956,62 4.032,63 116,64 19.608,65 10.615,66 5.034,67 2.953,68 0.307,69 20.38,70 5.7}
{0 CHEMBL272453,1 19.564,2 26.323,3 4.157,4 2.358,5 1.983,6 20.88,7 1.467,8 1.467,9 209.712,10 3.699,11 3.699,12 185.232,13 1.47,14 111.679,15 9.086,16 3.033,17 2.498,18 3.274,19 1.831,20 1.831,21 4.684,22 79.603,23 79.603,24 2.895,25 4.992,26 4.992,27 8.719,28 2.847,29 197.933,30 474.718,31 26.824,32 3.054,33 7.196,34 2.879,35 2.925,36 6,37 16.157,38 2.989,39 2.826,40 4.131,41 1.181,42 1.107,43 4.661,44 1.803,45 32.574,46 2.828,47 3.817,48 32.336,49 2.767,50 1.185,51 1.167,52 20810,53 2.835,54 2.128,55 29.394,56 0.944,57 2.79,58 0.218,59 8.732,60 3.526,61 49.828,62 4.032,63 133,64 19.422,65 10.749,66 5.034,67 2.955,68 0.397,69 20.38,70 5.7}
{0 CHEMBL274064,1 17.439,2 20.662,3 3.489,4 2,5 1.222,6 16.355,7 1,8 1,9 173.289,10 2.465,11 2.465,12 148.71,13 1.134,14 94.999,15 8.345,16 3.088,17 1.766,18 2.684,19 1.414,20 1.414,21 4.53,22 68.936,23 68.936,24 2.687,25 3.543,26 3.543,27 7.964,28 2.5,29 172.404,30 412.425,31 23.464,32 2.866,33 6.448,34 2.854,35 2.925,36 1,37 13.691,38 3.001,39 2.352,40 3.881,41 1.243,42 1.128,43 4.226,44 1.321,45 29.302,46 2.754,47 3.463,48 24.135,49 2.715,50 1.04,51 1.28,52 10545,53 2.778,54 1.902,55 19.654,56 0.947,57 2.735,58 0.252,59 6.566,60 3.422,61 43.249,62 3.958,63 91,64 16.038,65 9.265,66 4.854,67 2.655,68 -0.352,69 17.225,70 5.7}
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{0 CHEMBL300138,1 25.266,2 30.58,3 4.979,4 2.847,5 2.303,6 26.509,7 1.877,8 1.877,9 289.671,10 5.314,11 5.314,12 237.114,13 1.932,14 151.757,15 13.449,16 3.446,17 2.702,18 3.395,19 2.125,20 2.125,21 8.17,22 99.456,23 99.456,24 3.04,25 6.187,26 6.187,27 16.985,28 3.314,29 266.952,30 643.123,31 43.258,32 3.287,33 12.105,34 3.17,35 3.235,36 4,37 21.801,38 3.383,39 3.076,40 4.405,41 1.513,42 1.494,43 5.278,44 2.007,45 47.074,46 3.213,47 4.761,48 44.945,49 3.023,50 1.903,51 1.535,52 35103,53 3.226,54 2.42,55 45.945,56 1.299,57 3.03,58 0.794,59 10.362,60 3.93,61 71.263,62 4.13,63 229,64 24.081,65 15.698,66 5.391,67 3.342,68 1.122,69 26.509,70 5}
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{0 CHEMBL514499,1 26.813,2 29.695,3 4.22,4 2.471,5 2.188,6 21.604,7 1.484,8 1.484,9 267.846,10 3.575,11 3.575,12 238.261,13 1.566,14 116.287,15 10.352,16 3.314,17 2.506,18 3.276,19 1.902,20 1.902,21 6.035,22 98.618,23 98.618,24 3.056,25 5.325,26 5.325,27 12.375,28 2.908,29 214.048,30 514.037,31 35.436,32 3.124,33 8.203,34 3.161,35 3.216,36 1,37 18.289,38 3.249,39 2.851,40 4.369,41 1.421,42 1.343,43 4.918,44 1.785,45 35.148,46 2.965,47 4.141,48 38.206,49 2.948,50 1.445,51 1.448,52 27904,53 2.982,54 2.134,55 33.19,56 1.173,57 2.933,58 0.557,59 8.949,60 3.604,61 57.449,62 4.048,63 138,64 23.394,65 12.099,66 5.149,67 3.075,68 0.854,69 23.75,70 5.7}
{0 CHEMBL516640,1 19.242,2 17.637,3 4.278,4 2.345,5 2.37,6 22.269,7 1.422,8 1.422,9 239.675,10 3.907,11 3.907,12 211.915,13 1.467,14 124.375,15 10.791,16 3.249,17 2.735,18 3.512,19 2.03,20 2.03,21 5.859,22 81.985,23 81.985,24 2.993,25 5.785,26 5.785,27 9.154,28 2.964,29 216.131,30 519.12,31 22.743,32 3.096,33 8.845,34 3.056,35 3.118,37 17.913,38 3.179,39 3.009,40 4.174,41 1.222,42 1.262,43 4.943,44 1.967,45 36.154,46 2.957,47 3.947,48 35.496,49 2.899,50 1.586,51 1.342,52 26167,53 2.953,54 2.136,55 39.219,56 1.131,57 2.901,58 0.283,59 9.604,60 3.663,61 54.945,62 4.033,63 160,64 20.326,65 12.284,66 5.186,67 3.001,68 1,69 21.916,70 5}
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{0 CHEMBL521851,1 24.599,2 35.664,3 4.616,4 2.537,5 2.213,6 24.597,7 1.561,8 1.561,9 325.557,10 4.645,11 4.645,12 278.253,13 1.572,14 136.875,15 14.352,16 3.323,17 2.386,18 3.225,19 1.954,20 1.954,21 9.029,22 110.33,23 110.33,24 2.949,25 5.727,26 5.727,27 15.742,28 3.018,29 245.425,30 590.598,31 50.078,32 3.2,33 10.894,34 3.111,35 3.206,37 21.108,38 3.264,39 2.884,40 4.431,41 1.513,42 1.429,43 4.957,44 1.801,45 42.313,46 3.119,47 4.538,48 33.767,49 2.91,50 1.551,51 1.554,52 29135,53 3.118,54 2.313,55 39.378,56 1.307,57 2.941,58 0.825,59 8.183,60 3.821,61 61.602,62 4.094,63 159,64 23.255,65 13.557,66 5.247,67 3.048,68 1,69 23.993,70 5}
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{0 CHEMBL55137,1 26.173,2 34.492,3 3.976,4 2.405,5 1.776,6 21.413,7 1.446,8 1.446,9 209.82,10 3.112,11 3.112,12 172.097,13 1.588,14 127.327,15 10.926,16 3.407,17 2.44,18 3.209,19 1.816,20 1.816,21 6.481,22 85.064,23 85.064,24 3.04,25 5.626,26 5.626,27 16.759,28 2.727,29 228.76,30 549.934,31 45.347,32 3.066,33 8.487,34 3.233,35 3.321,36 6,37 18.711,38 3.306,39 2.778,40 4.186,41 1.656,42 1.513,43 5.02,44 1.74,45 40.137,46 3.123,47 3.869,48 27.339,49 3.027,50 1.322,51 1.585,52 15089,53 3.089,54 2.245,55 31.231,56 1.351,57 3.03,58 0.751,59 6.879,60 3.727,61 53.788,62 4.214,63 140,64 20.953,65 11.678,66 5.043,67 3.063,68 0.075,69 21.413,70 5.854}
{0 CHEMBL553,1 25.355,2 33.398,3 3.536,4 2.221,5 1.888,6 20.476,7 1.285,8 1.285,9 180.455,10 2.753,11 2.753,12 159.12,13 1.361,14 110.749,15 9.108,16 3.21,17 1.891,18 2.914,19 1.618,20 1.618,21 4.083,22 81.519,23 81.519,24 2.875,25 3.444,26 3.444,27 9.386,28 2.628,29 206.716,30 496.146,31 27.897,32 2.99,33 6.697,34 3.071,35 3.163,37 16.475,38 3.135,39 2.505,40 3.989,41 1.416,42 1.351,43 3.977,44 1.426,45 34.449,46 2.903,47 3.495,48 30.457,49 2.816,50 1.335,51 1.395,52 17099,53 2.915,54 1.814,55 32.749,56 1.105,57 2.825,58 0.418,59 8.161,60 3.526,61 45.844,62 3.979,63 130,64 20.879,65 9.67,66 4.951,67 2.818,68 0.247,69 20.476,70 5}
{0 CHEMBL554,1 28.108,2 40.3,3 4.748,4 2.839,5 2.408,6 27.994,7 1.885,8 1.885,9 313.061,10 5.298,11 5.298,12 279.714,13 1.853,14 152.448,15 14.834,16 3.389,17 2.932,18 3.574,19 2.241,20 2.241,21 7.249,22 119.837,23 119.837,24 3.21,25 6.74,26 6.74,27 13.57,28 3.281,29 277.749,30 669.468,31 40.185,32 3.306,33 9.52,34 3.237,35 3.284,36 3,37 23.098,38 3.329,39 3.199,40 4.42,41 1.498,42 1.43,43 5.292,44 2.112,45 46.421,46 3.129,47 4.32,48 46.672,49 3.052,50 2.071,51 1.491,52 52166,53 3.128,54 2.56,55 67.613,56 1.254,57 3.041,58 0.619,59 11.054,60 3.908,61 66.391,62 4.031,63 246,64 28.063,65 13.964,66 5.347,67 3.348,68 1.237,69 28.114,70 5}
{0 CHEMBL558752,1 25.984,2 34.25,3 4.764,4 2.647,5 2.1,6 21.372,7 1.725,8 1.725,9 282.163,10 5.08,11 5.08,12 256.481,13 1.738,14 120.68,15 10.649,16 3.307,17 2.992,18 3.615,19 2.206,20 2.206,21 5.399,22 98.521,23 98.521,24 2.886,25 6.508,26 6.508,27 9.058,28 3.149,29 220.842,30 530.615,31 22.163,32 3.256,33 8.087,34 3.028,35 3.117,37 18.816,38 3.248,39 3.15,40 4.34,41 1.311,42 1.222,43 5.256,44 2.067,45 36.205,46 2.893,47 4.677,48 46.425,49 2.831,50 1.814,51 1.394,52 46668,53 2.956,54 2.417,55 49.779,56 1.136,57 2.831,58 0.357,59 10.476,60 3.631,61 63.997,62 4,63 182,64 24.82,65 13.736,66 5.297,67 3.269,68 1,69 26.372,70 5}
{0 CHEMBL560813,1 17.325,2 22.325,3 3.414,4 1.917,5 1.814,6 17.811,7 1,8 1,9 160.088,10 2.275,11 2.275,12 143.107,13 1.22,14 87.065,15 7.122,16 2.971,17 2.427,18 3.118,19 1.618,20 1.618,21 3.353,22 62.212,23 62.212,24 2.576,25 4.377,26 4.377,27 5.209,28 2.771,29 162.491,30 388.239,31 14.264,32 2.86,33 5.683,34 2.7,35 2.79,36 5,37 12.724,38 2.94,39 2.618,40 3.821,41 0.984,42 0.924,43 4.418,44 1.618,45 25.676,46 2.698,47 3.276,48 28.704,49 2.488,50 1,51 1.072,52 14809,53 2.746,54 2.062,55 24.829,56 0.816,57 2.471,58 0.004,59 7.99,60 3.284,61 41.126,62 4.05,63 109,64 16.38,65 8.72,66 4.922,67 2.926,68 -0.033,69 17.811,70 5.7}
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{0 CHEMBL568922,1 21.539,2 29.423,3 3.247,4 1.967,5 1.328,6 16.043,7 1,8 1,9 175.375,10 2.136,11 2.136,12 152.359,13 0.99,14 92.037,15 8.405,16 3.056,17 1.379,18 2.446,19 1.146,20 1.146,21 5.065,22 70.878,23 70.878,24 2.708,25 2.661,26 2.661,27 8.793,28 2.047,29 166.937,30 399.086,31 28.446,32 2.866,33 6.403,34 2.853,35 2.968,36 4,37 13.502,38 2.963,39 2.113,40 3.985,41 1.284,42 1.159,43 3.838,44 1.1,45 28.222,46 2.797,47 3.185,48 16.614,49 2.541,50 0.936,51 1.249,52 7023,53 2.766,54 1.756,55 17.182,56 0.947,57 2.546,58 0.379,59 4.521,60 3.39,61 37.971,62 4.09,63 60,64 15.654,65 7.989,66 4.687,67 2.219,68 -0.6,69 15.69,70 5.155}
{0 CHEMBL572878,1 36.777,2 58.816,3 4.523,4 2.585,5 2.424,6 23.139,7 1.643,8 1.643,9 245.856,10 4.641,11 4.641,12 222.991,13 1.749,14 134.268,15 12.037,16 3.249,17 2.502,18 3.32,19 2.176,20 2.176,21 6.345,22 99.127,23 99.127,24 3.006,25 6.016,26 6.016,27 10.423,28 2.999,29 237.562,30 571.412,31 35.152,32 3.037,33 8.286,34 3.111,35 3.206,36 2,37 19.653,38 3.189,39 3.097,40 4.195,41 1.513,42 1.429,43 5.019,44 1.996,45 40.762,46 2.941,47 4.241,48 31.31,49 2.91,50 1.902,51 1.448,52 24682,53 2.936,54 2.291,55 40.854,56 1.153,57 2.93,58 0.803,59 7.95,60 3.746,61 56.152,62 3.907,63 162,64 22.356,65 11.612,66 5.113,67 3.23,68 0.772,69 22.786,70 6.086}
{0 CHEMBL572881,1 27.538,2 44.521,3 3.625,4 2.367,5 1.594,6 19.562,7 1.414,8 1.414,9 187.319,10 3.056,11 3.056,12 160.874,13 1.405,14 112.492,15 9.304,16 3.186,17 2.157,18 2.975,19 1.563,20 1.563,21 4.989,22 75.535,23 75.535,24 2.687,25 3.961,26 3.961,27 9.36,28 2.796,29 200.922,30 482.01,31 28.07,32 2.917,33 6.678,34 2.874,35 3.009,36 6,37 15.99,38 3.091,39 2.52,40 3.986,41 1.415,42 1.308,43 4.478,44 1.495,45 34.336,46 2.868,47 3.572,48 28.421,49 2.715,50 1.312,51 1.325,52 15428,53 2.868,54 2.039,55 26.827,56 1.049,57 2.735,58 0.469,59 7.608,60 3.584,61 47.121,62 3.963,63 114,64 18.454,65 10.329,66 4.98,67 2.861,68 -0.033,69 19.562,70 5}
{0 CHEMBL573339,1 12.611,2 16.024,3 3.613,4 2.246,5 1.504,6 17.51,7 1.31,8 1.31,9 196.404,10 2.914,11 2.914,12 163.654,13 1.325,14 93.122,15 8.468,16 2.992,17 2.101,18 2.947,19 1.552,20 1.552,21 4.488,22 69.012,23 69.012,24 2.804,25 4.001,26 4.001,27 6.593,28 2.648,29 168.877,30 403.821,31 18.373,32 2.863,33 7.995,34 2.922,35 2.967,37 13.922,38 2.94,39 2.505,40 4.004,41 1.125,42 1.101,43 4.335,44 1.474,45 28.955,46 2.746,47 3.559,48 26.764,49 2.735,50 1.256,51 1.131,52 11755,53 2.75,54 1.989,55 19.935,56 0.942,57 2.714,58 0.237,59 7.429,60 3.427,61 46.388,62 4.047,63 75,64 15.558,65 10.241,66 4.965,67 2.842,68 -0.263,69 17.51,70 5}
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{0 CHEMBL578601,1 22.465,2 31.923,3 3.414,4 1.984,5 1.362,6 16.914,7 1,8 1,9 181.82,10 2.275,11 2.275,12 157.998,13 1.072,14 96.664,15 8.847,16 3.147,17 1.537,18 2.547,19 1.301,20 1.301,21 5.488,22 74.432,23 74.432,24 2.831,25 3.614,26 3.614,27 9.492,28 2.06,29 176.529,30 422.492,31 31.498,32 2.866,33 6.627,34 2.919,35 3.013,36 4,37 14.157,38 3.035,39 2.248,40 4.036,41 1.294,42 1.217,43 4.267,44 1.225,45 29.983,46 2.828,47 3.186,48 16.85,49 2.662,50 0.941,51 1.334,52 7880,53 2.802,54 1.909,55 18.696,56 0.966,57 2.659,58 0.436,59 4.327,60 3.455,61 40.16,62 4.09,63 75,64 16.618,65 8.4,66 4.732,67 2.422,68 -0.658,69 16.56,70 5.155}
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{0 CHEMBL590109,1 7.443,2 5,3 4.494,4 2.464,5 1.549,6 21.303,7 1.532,8 1.532,9 254.54,10 4.312,11 4.312,12 214.808,13 1.528,14 126.379,15 10.806,16 3.26,17 2.434,18 3.156,19 1.763,20 1.763,21 6.708,22 77.789,23 77.789,24 2.921,25 5.211,26 5.211,27 10.138,28 3.032,29 210.596,30 505.615,31 26.562,32 3.08,33 10.412,34 2.906,35 2.961,36 5,37 17.356,38 3.177,39 2.71,40 4.225,41 1.359,42 1.33,43 4.846,44 1.666,45 36.256,46 2.944,47 4.414,48 33.478,49 2.805,50 1.496,51 1.417,52 18837,53 2.962,54 2.222,55 27.007,56 1.216,57 2.851,58 0.335,59 8.695,60 3.691,61 56.725,62 4.168,63 117,64 18.636,65 12.544,66 5.196,67 3.049,68 0.495,69 20.949,70 5.35}
{0 CHEMBL592030,1 9.487,2 7.5,3 4.495,4 2.474,5 1.55,6 22.01,7 1.532,8 1.532,9 258.513,10 4.312,11 4.312,12 218.808,13 1.528,14 131.245,15 11.306,16 3.305,17 2.436,18 3.159,19 1.788,20 1.788,21 6.941,22 81.651,23 81.651,24 2.926,25 5.22,26 5.22,27 10.943,28 3.032,29 220.188,30 529.02,31 29.262,32 3.157,33 10.577,34 2.945,35 3.063,36 5,37 18.063,38 3.234,39 2.742,40 4.244,41 1.363,42 1.346,43 4.846,44 1.702,45 38.017,46 3.004,47 4.414,48 34.059,49 2.806,50 1.532,51 1.421,52 20372,53 3.028,54 2.222,55 29.563,56 1.218,57 2.851,58 0.393,59 8.701,60 3.734,61 58.105,62 4.168,63 141,64 19.56,65 12.813,66 5.212,67 3.049,68 0.514,69 21.656,70 5.7}
{0 CHEMBL601719,1 23.489,2 28.517,3 4.116,4 2.364,5 2.021,6 21.38,7 1.414,8 1.414,9 233.7,10 3.494,11 3.494,12 207.403,13 1.354,14 118.112,15 10.501,16 3.157,17 2.251,18 3.117,19 1.869,20 1.869,21 6.003,22 92.467,23 92.467,24 2.927,25 4.921,26 4.921,27 11.066,28 2.657,29 215.049,30 516.478,31 39.648,32 3.11,33 7.001,34 2.939,35 3.019,36 1,37 17.92,38 3.057,39 2.796,40 4.332,41 1.416,42 1.198,43 4.634,44 1.589,45 35.75,46 2.847,47 4.032,48 28.006,49 2.829,50 1.564,51 1.429,52 20405,53 2.83,54 2.059,55 28.804,56 1.153,57 2.811,58 0.494,59 7.035,60 3.612,61 51.655,62 3.928,63 128,64 21.378,65 11.471,66 5.006,67 2.889,68 0.676,69 21.25,70 5.456}
{0 CHEMBL607707,1 30.281,2 40.331,3 4.27,4 2.358,5 2.23,6 23.587,7 1.439,8 1.439,9 222.203,10 3.788,11 3.788,12 199.045,13 1.738,14 127.416,15 10.538,16 3.191,17 2.6,18 3.302,19 2.103,20 2.103,21 4.866,22 97.521,23 97.521,24 3.019,25 5.264,26 5.264,27 10.338,28 3.003,29 235.173,30 565.581,31 27.665,32 3.244,33 7.446,34 3.088,35 3.155,37 19.203,38 3.12,39 3.062,40 4.271,41 1.417,42 1.293,43 4.805,44 1.979,45 38.347,46 2.927,47 4.041,48 38.803,49 2.909,50 2.053,51 1.308,52 25112,53 2.944,54 2.102,55 38.123,56 1.052,57 2.884,58 0.469,59 9.092,60 3.654,61 53.867,62 4.023,63 165,64 24.473,65 11.196,66 5.119,67 3.216,68 0.665,69 23.957,70 5}
{0 CHEMBL608154,1 12.855,2 14.608,3 3.643,4 2.224,5 1.514,6 18.759,7 1.305,8 1.305,9 198.778,10 2.929,11 2.929,12 169.828,13 1.398,14 98.273,15 8.325,16 3.204,17 2.189,18 2.972,19 1.505,20 1.505,21 4.58,22 70.346,23 70.346,24 2.875,25 4.148,26 4.148,27 8.34,28 2.754,29 177.68,30 425.299,31 26.997,32 2.954,33 7.419,34 2.856,35 2.91,36 1,37 14.886,38 3.133,39 2.451,40 4.123,41 1.275,42 1,43 4.503,44 1.408,45 29.358,46 2.905,47 3.597,48 28.173,49 2.704,50 1.31,51 1.314,52 12194,53 2.913,54 1.953,55 19.509,56 1.079,57 2.713,58 0.276,59 7.675,60 3.435,61 46.677,62 4.132,63 84,64 16.824,65 10.141,66 4.965,67 2.861,68 0.042,69 18.259,70 5}
{0 CHEMBL7064,1 1.291,2 0.417,3 3.208,4 1.439,5 1,6 11.405,7 0.414,8 0.414,9 132.572,10 1.053,11 1.053,12 105.545,13 0.944,14 65.355,15 5.473,16 2.548,17 1.5,18 2.5,19 1,20 1,21 3.266,22 36.793,23 36.793,24 2.221,25 2.511,26 2.511,27 3.708,28 1.994,29 109.655,30 259.319,31 9.301,32 2.377,33 5.812,34 2.33,35 2.377,37 8.897,38 2.493,39 1.98,40 3.619,41 0.812,42 0.545,43 3.609,44 0.978,45 18.75,46 2.269,47 2.634,48 15.886,49 2.039,50 -0.254,51 0.754,52 3482,53 2.289,54 1.518,55 7.031,56 0.584,57 1.98,59 5.235,60 3.091,61 32.252,62 4.101,63 24,64 8.854,65 7.292,66 4.644,67 2.481,68 -1.481,69 11.405,70 6.8}
{0 CHEMBL91829,1 21.829,2 21.51,3 4.751,4 2.783,5 2.249,6 24.104,7 1.857,8 1.857,9 260.744,10 4.662,11 4.662,12 214.27,13 1.876,14 135.851,15 12.038,16 3.37,17 2.63,18 3.384,19 1.996,20 1.996,21 6.994,22 94.602,23 94.602,24 3.068,25 5.936,26 5.936,27 17.453,28 3.149,29 241.96,30 582.143,31 47.271,32 3.191,33 10.619,34 3.202,35 3.257,36 4,37 19.953,38 3.311,39 2.97,40 4.344,41 1.467,42 1.416,43 5.217,44 1.928,45 42.523,46 3.119,47 4.436,48 39.403,49 3.068,50 1.923,51 1.546,52 22158,53 3.125,54 2.234,55 24.898,56 1.299,57 3.075,58 0.647,59 8.837,60 3.811,61 63.769,62 4.127,63 119,64 22.293,65 13.639,66 5.263,67 3.325,68 1.005,69 24.104,70 5}
{0 CHEMBL939,1 28.856,2 41.089,3 3.948,4 2.319,5 2.123,6 21.261,7 1.414,8 1.414,9 220.188,10 3.451,11 3.451,12 196.338,13 1.433,14 117.539,15 10.493,16 3.206,17 2.22,18 2.999,19 1.675,20 1.675,21 5.373,22 97.073,23 97.073,24 2.963,25 4.444,26 4.444,27 11.224,28 2.767,29 217.506,30 522.475,31 34.793,32 3.021,33 7.494,34 3.108,35 3.174,37 17.992,38 3.111,39 2.589,40 4.228,41 1.391,42 1.259,43 4.505,44 1.524,45 36.557,46 2.927,47 3.696,48 29.763,49 2.89,50 1.618,51 1.417,52 23153,53 2.91,54 2.032,55 36.081,56 1.127,57 2.882,58 0.498,59 7.851,60 3.608,61 51.011,62 3.977,63 152,64 22.028,65 11.237,66 4.999,67 2.82,68 0.734,69 21.631,70 5.35}
{0 CHEMBL941,1 30.255,2 48.345,3 4.413,4 2.731,5 2.27,6 25.614,7 1.773,8 1.773,9 240.37,10 4.415,11 4.415,12 209.481,13 1.786,14 146.651,15 12.457,16 3.335,17 2.551,18 3.434,19 2.123,20 2.123,21 6.573,22 99.834,23 99.834,24 2.962,25 6.246,26 6.246,27 12.896,28 3.033,29 265.482,30 639.535,31 39.659,32 3.084,33 9.213,34 3.111,35 3.206,36 2,37 21.185,38 3.242,39 3.087,40 4.239,41 1.546,42 1.429,43 5.127,44 2.046,45 45.631,46 3.036,47 4.15,48 41.044,49 2.91,50 1.829,51 1.503,52 35900,53 3.031,54 2.27,55 52.079,56 1.223,57 2.941,58 0.691,59 10.312,60 3.85,61 61.655,62 3.932,63 228,64 24.883,65 13.45,66 5.231,67 3.203,68 1,69 25.614,70 5}
{0 CHEMBL95692,1 18.59,2 22.813,3 3.489,4 2,5 1.306,6 17.062,7 1,8 1,9 180.448,10 2.465,11 2.465,12 154.672,13 1.148,14 96.762,15 8.669,16 3.09,17 1.788,18 2.701,19 1.421,20 1.421,21 4.672,22 75.325,23 75.325,24 2.687,25 3.547,26 3.547,27 8.414,28 2.5,29 179.198,30 429.003,31 23.96,32 2.866,33 6.691,34 2.854,35 2.925,37 14.522,38 3.005,39 2.358,40 3.932,41 1.297,42 1.131,43 4.227,44 1.326,45 30.512,46 2.793,47 3.47,48 25.136,49 2.715,50 1.04,51 1.363,52 11745,53 2.807,54 1.916,55 21.166,56 1.153,57 2.735,58 0.362,59 6.824,60 3.452,61 44.536,62 3.958,63 97,64 16.984,65 9.689,66 4.877,67 2.655,68 -0.326,69 17.933,70 5.7}