@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2468 @attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1081312,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL1091041,CHEMBL1091042,CHEMBL1091764,CHEMBL1091765,CHEMBL1091766,CHEMBL1091784,CHEMBL1091785,CHEMBL1091786,CHEMBL1091787,CHEMBL1092139,CHEMBL1094004,CHEMBL1094005,CHEMBL116070,CHEMBL1164180,CHEMBL1173655,CHEMBL117697,CHEMBL1178727,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1230165,CHEMBL1233887,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375640,CHEMBL1421,CHEMBL1421720,CHEMBL14762,CHEMBL148471,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL17370,CHEMBL1765781,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1870106,CHEMBL1879463,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1949855,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964382,CHEMBL1964399,CHEMBL1964413,CHEMBL1964441,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964718,CHEMBL1964804,CHEMBL1964902,CHEMBL1964937,CHEMBL1964948,CHEMBL1965033,CHEMBL1965131,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965702,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966069,CHEMBL1966175,CHEMBL1966204,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966501,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1967094,CHEMBL1967116,CHEMBL1967252,CHEMBL1967302,CHEMBL1967336,CHEMBL1967513,CHEMBL1967531,CHEMBL1967538,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967612,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1967992,CHEMBL1967998,CHEMBL1968070,CHEMBL1968127,CHEMBL1968130,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968515,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1968868,CHEMBL1968930,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969588,CHEMBL1969664,CHEMBL1969735,CHEMBL1969843,CHEMBL1969879,CHEMBL1969942,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970290,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970352,CHEMBL1970522,CHEMBL1970709,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971132,CHEMBL1971141,CHEMBL1971149,CHEMBL1971172,CHEMBL1971186,CHEMBL1971223,CHEMBL1971245,CHEMBL1971289,CHEMBL1971519,CHEMBL1971534,CHEMBL1971606,CHEMBL1971649,CHEMBL1971694,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972158,CHEMBL1972220,CHEMBL1972221,CHEMBL1972250,CHEMBL1972290,CHEMBL1972339,CHEMBL1972355,CHEMBL1972362,CHEMBL1972454,CHEMBL1972462,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972840,CHEMBL1972849,CHEMBL1972934,CHEMBL1972937,CHEMBL1972988,CHEMBL1973013,CHEMBL1973016,CHEMBL1973098,CHEMBL1973138,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973359,CHEMBL1973395,CHEMBL1973483,CHEMBL1973516,CHEMBL1973540,CHEMBL1973711,CHEMBL1973720,CHEMBL1973793,CHEMBL1973808,CHEMBL1973860,CHEMBL1973868,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974574,CHEMBL1974617,CHEMBL1974664,CHEMBL1974702,CHEMBL1974870,CHEMBL1974875,CHEMBL1974935,CHEMBL1974998,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975212,CHEMBL1975233,CHEMBL1975256,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975503,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1975903,CHEMBL1975921,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976158,CHEMBL1976196,CHEMBL1976220,CHEMBL1976240,CHEMBL1976290,CHEMBL1976328,CHEMBL1976376,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976936,CHEMBL1977041,CHEMBL1977128,CHEMBL1977134,CHEMBL1977135,CHEMBL1977138,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977634,CHEMBL1977681,CHEMBL1977749,CHEMBL1977814,CHEMBL1977931,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978200,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979690,CHEMBL1979718,CHEMBL1979773,CHEMBL1979883,CHEMBL1979933,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980167,CHEMBL1980178,CHEMBL1980246,CHEMBL1980253,CHEMBL1980297,CHEMBL1980329,CHEMBL1980391,CHEMBL1980407,CHEMBL1980435,CHEMBL1980489,CHEMBL1980540,CHEMBL1980562,CHEMBL1980671,CHEMBL1980704,CHEMBL1980715,CHEMBL1980763,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981133,CHEMBL1981215,CHEMBL1981410,CHEMBL1981492,CHEMBL1981671,CHEMBL1981720,CHEMBL1981725,CHEMBL1981744,CHEMBL1981782,CHEMBL1981792,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982271,CHEMBL1982361,CHEMBL1982383,CHEMBL1982413,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1982866,CHEMBL1982874,CHEMBL1982924,CHEMBL1982957,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983070,CHEMBL1983111,CHEMBL1983268,CHEMBL1983348,CHEMBL1983393,CHEMBL1983534,CHEMBL1983573,CHEMBL1983575,CHEMBL1983589,CHEMBL1983595,CHEMBL1983630,CHEMBL1983640,CHEMBL1983715,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1983980,CHEMBL1984038,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984236,CHEMBL1984296,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984548,CHEMBL1984586,CHEMBL1984632,CHEMBL1984633,CHEMBL1984686,CHEMBL1984700,CHEMBL1984711,CHEMBL1984760,CHEMBL1984842,CHEMBL1984847,CHEMBL1985042,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985206,CHEMBL1985311,CHEMBL1985367,CHEMBL1985406,CHEMBL1985469,CHEMBL1985566,CHEMBL1985580,CHEMBL1985681,CHEMBL1985723,CHEMBL1986139,CHEMBL1986143,CHEMBL1986177,CHEMBL1986186,CHEMBL1986263,CHEMBL1986265,CHEMBL1986499,CHEMBL1986503,CHEMBL1986530,CHEMBL1986590,CHEMBL1986597,CHEMBL1986603,CHEMBL1986666,CHEMBL1986756,CHEMBL1986781,CHEMBL1986851,CHEMBL1986855,CHEMBL1986869,CHEMBL1986899,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987073,CHEMBL1987261,CHEMBL1987359,CHEMBL1987430,CHEMBL1987448,CHEMBL1987535,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987793,CHEMBL1987910,CHEMBL1987948,CHEMBL1987998,CHEMBL1988075,CHEMBL1988141,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988581,CHEMBL1988594,CHEMBL1988608,CHEMBL1988692,CHEMBL1988717,CHEMBL1988805,CHEMBL1988838,CHEMBL1988872,CHEMBL1989029,CHEMBL1989043,CHEMBL1989267,CHEMBL1989423,CHEMBL1989471,CHEMBL1989474,CHEMBL1989646,CHEMBL1989708,CHEMBL1989834,CHEMBL1989856,CHEMBL1990162,CHEMBL1990223,CHEMBL1990254,CHEMBL1990288,CHEMBL1990346,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990590,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991377,CHEMBL1991395,CHEMBL1991410,CHEMBL1991429,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991734,CHEMBL1991800,CHEMBL1991818,CHEMBL1991846,CHEMBL1991867,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992220,CHEMBL1992231,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992363,CHEMBL1992371,CHEMBL1992536,CHEMBL1992581,CHEMBL1992607,CHEMBL1992634,CHEMBL1992673,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993166,CHEMBL1993243,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993877,CHEMBL1993904,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994159,CHEMBL1994241,CHEMBL1994308,CHEMBL1994318,CHEMBL1994321,CHEMBL1994361,CHEMBL1994438,CHEMBL1994526,CHEMBL1994538,CHEMBL1994555,CHEMBL1994669,CHEMBL1994693,CHEMBL1994724,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995592,CHEMBL1995712,CHEMBL1995740,CHEMBL1995765,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996176,CHEMBL1996234,CHEMBL1996345,CHEMBL1996390,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996587,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1996780,CHEMBL1996791,CHEMBL1996795,CHEMBL1996817,CHEMBL1996831,CHEMBL1996837,CHEMBL1996931,CHEMBL1996979,CHEMBL1996980,CHEMBL1997007,CHEMBL1997023,CHEMBL1997041,CHEMBL1997119,CHEMBL1997129,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997340,CHEMBL1997534,CHEMBL1997597,CHEMBL1997611,CHEMBL1997617,CHEMBL1997623,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997892,CHEMBL1998110,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998253,CHEMBL1998432,CHEMBL1998470,CHEMBL1998545,CHEMBL1998585,CHEMBL1998611,CHEMBL1998680,CHEMBL1999112,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999484,CHEMBL1999506,CHEMBL1999556,CHEMBL1999590,CHEMBL1999632,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000029,CHEMBL2000071,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000724,CHEMBL2000801,CHEMBL2000832,CHEMBL2000879,CHEMBL2000894,CHEMBL2001019,CHEMBL2001149,CHEMBL2001224,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001398,CHEMBL2001485,CHEMBL2001539,CHEMBL2001547,CHEMBL2001584,CHEMBL2001613,CHEMBL2001641,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001987,CHEMBL2001998,CHEMBL2002099,CHEMBL2002105,CHEMBL2002165,CHEMBL2002322,CHEMBL2002323,CHEMBL2002407,CHEMBL2002446,CHEMBL2002450,CHEMBL2002479,CHEMBL2002586,CHEMBL2002599,CHEMBL2002613,CHEMBL2002649,CHEMBL2002660,CHEMBL2002682,CHEMBL2002690,CHEMBL2002702,CHEMBL2002726,CHEMBL2002736,CHEMBL2002802,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003514,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003689,CHEMBL2003785,CHEMBL2003817,CHEMBL2004025,CHEMBL2004118,CHEMBL2004159,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004515,CHEMBL2004637,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005186,CHEMBL2005216,CHEMBL2005375,CHEMBL2005449,CHEMBL2005475,CHEMBL2005478,CHEMBL2005509,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005699,CHEMBL2005718,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006456,CHEMBL2006493,CHEMBL2006564,CHEMBL2006567,CHEMBL2006581,CHEMBL2006674,CHEMBL2006715,CHEMBL2006765,CHEMBL2006778,CHEMBL2006785,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007073,CHEMBL2007097,CHEMBL2007124,CHEMBL2007151,CHEMBL2007266,CHEMBL2007296,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007592,CHEMBL2017214,CHEMBL202721,CHEMBL2063926,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL21156,CHEMBL213505,CHEMBL215152,CHEMBL2152382,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL221536,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2333365,CHEMBL234085,CHEMBL235157,CHEMBL242865,CHEMBL243088,CHEMBL243298,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL262623,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL289959,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL302449,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL357490,CHEMBL360847,CHEMBL363648,CHEMBL371206,CHEMBL373598,CHEMBL374581,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL386636,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL415049,CHEMBL416056,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL437747,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL451401,CHEMBL451964,CHEMBL458997,CHEMBL461876,CHEMBL464552,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL482538,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL485556,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL504950,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL514499,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL539474,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565286,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576113,CHEMBL576982,CHEMBL579387,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941,CHEMBL95692} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute Br.094 numeric @attribute Br.095 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.007 numeric @attribute C.008 numeric @attribute C.009 numeric @attribute C.010 numeric @attribute C.011 numeric @attribute C.012 numeric @attribute C.013 numeric @attribute C.014 numeric @attribute C.015 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.018 numeric @attribute C.019 numeric @attribute C.020 numeric @attribute C.021 numeric @attribute C.022 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.030 numeric @attribute C.031 numeric @attribute C.032 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.035 numeric @attribute C.036 numeric @attribute C.037 numeric @attribute C.038 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute C.042 numeric @attribute C.043 numeric @attribute C.044 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_DA numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_DP numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AN numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_02_PP numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AN numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DN numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_04_PP numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_06_PN numeric @attribute CATS2D_06_PP numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DN numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_07_PN numeric @attribute CATS2D_07_PP numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DN numeric @attribute CATS2D_08_DP numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_08_PP numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DN numeric @attribute CATS2D_09_DP numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL numeric @attribute CATS2D_09_PL numeric @attribute CATS2D_09_PP numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute Cl.090 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr04 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr08 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute D.Dtr11 numeric @attribute D.Dtr12 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.50 numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.dm. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.dm. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.dm. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.dm. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.081 numeric @attribute F.083 numeric @attribute F.084 numeric @attribute F.085 numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.046 numeric @attribute H.047 numeric @attribute H.048 numeric @attribute H.049 numeric @attribute H.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute H.053 numeric @attribute H.054 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypertens.80 numeric @attribute Hypnotic.50 numeric @attribute Hypnotic.80 numeric @attribute I.099 numeric @attribute I.100 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 numeric @attribute Inflammat.50 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.066 numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.069 numeric @attribute N.070 numeric @attribute N.071 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.074 numeric @attribute N.075 numeric @attribute N.076 numeric @attribute n124.Triazines numeric @attribute n135.Triazines numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaaO numeric @attribute NaaS numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCHO numeric @attribute nArCN numeric @attribute nArC.N numeric @attribute nArCNO numeric @attribute nArCO numeric @attribute nArCONH2 numeric @attribute nArCONHR numeric @attribute nArCONR2 numeric @attribute nArCOOH numeric @attribute nArCOOR numeric @attribute nArNH2 numeric @attribute nArNHR numeric @attribute nArNO2 numeric @attribute nArNR2 numeric @attribute nArOCON numeric @attribute nArOH numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT numeric @attribute nAzetidines numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBR numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCconjX numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nC.N.N. numeric @attribute nC..N.N2 numeric @attribute nCONN numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCRX3 numeric @attribute nCs numeric @attribute nCsp numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nCXr numeric @attribute nCXr. numeric @attribute nDB numeric @attribute NdCH2 numeric @attribute NddsN numeric @attribute NddssS numeric @attribute NdNH numeric @attribute NdO numeric @attribute NdS numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC numeric @attribute NdssS numeric @attribute NdsssP numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nFuranes numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nI numeric @attribute nImidazoles numeric @attribute nIsothiazoles numeric @attribute nIsoxazoles numeric @attribute nN numeric @attribute nN.C.N. numeric @attribute nN.CO.2 numeric @attribute nN.N numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nOHt numeric @attribute nOxazoles numeric @attribute nOxolanes numeric @attribute nP numeric @attribute nPO4 numeric @attribute nPyrazines numeric @attribute nPyrazoles numeric @attribute nPyridazines numeric @attribute nPyridines numeric @attribute nPyrimidines numeric @attribute nPyrroles numeric @attribute nPyrrolidines numeric @attribute nR03 numeric @attribute nR04 numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR07 numeric @attribute nR08 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR11 numeric @attribute nR12 numeric @attribute nR.C. numeric @attribute nR.CH.X numeric @attribute nRCN numeric @attribute nRC.N numeric @attribute nRCO numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRCOOH numeric @attribute nRCOOR numeric @attribute nR.Cp numeric @attribute nR.Cs numeric @attribute nR.Ct numeric @attribute nRNH2 numeric @attribute nRNHO numeric @attribute nRNHR numeric @attribute nRNR2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsBr numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsF numeric @attribute NsI numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute nSO numeric @attribute nS..O.2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NsSH numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nTB numeric @attribute NtCH numeric @attribute nThiazoles numeric @attribute nThiophenes numeric @attribute NtN numeric @attribute nTriazoles numeric @attribute NtsC numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute O.061 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute P.117 numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_0d numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_0d numeric @attribute Psi_i_1 numeric @attribute Psi_i_1d numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_m_5 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_4 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_p_4 numeric @attribute P_VSA_s_1 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute P_VSA_v_4 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.106 numeric @attribute S.107 numeric @attribute S.108 numeric @attribute S.109 numeric @attribute S.110 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaNH numeric @attribute SaaO numeric @attribute SaaS numeric @attribute SaasC numeric @attribute SaasN numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdCH2 numeric @attribute SddsN numeric @attribute SddssS numeric @attribute SdNH numeric @attribute SdO numeric @attribute SdS numeric @attribute SdsCH numeric @attribute SdsN numeric @attribute SdssC numeric @attribute SdssS numeric @attribute SdsssP numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW03 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsBr numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsF numeric @attribute SsI numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SsSH numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute StCH numeric @attribute StN numeric @attribute StsC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,119 48.8,124 1,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 9,188 8,193 5,196 5,200 8,205 4,208 6,213 1,216 1,218 2,221 14,224 1,225 1,233 18,238 1,239 3,242 1,247 12,253 4,261 4,266 4,278 1123,279 18.361,280 18.361,281 18.361,282 18.361,283 18.361,284 15.561,285 4.368,286 10.837,287 18.876,288 14.814,289 14.814,290 14.814,291 14.814,292 14.814,293 10.659,294 2.498,295 5.164,296 15.642,297 3.744,298 2.087,299 1.302,300 0.762,301 0.669,302 0.669,303 4.038,306 1,307 1,308 1,309 587,310 2.646,313 74.848,314 265.59,321 1.451,322 27.251,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 58,334 271,335 4.568,336 4.698,337 6.747,338 4.172,339 3.204,340 4.301,341 2.95,342 11.08,343 3.103,344 4.196,345 3.207,346 6.1,347 3.769,348 2.819,349 3.802,351 8.88,352 2.706,353 3.986,354 2.897,355 5.879,356 3.558,357 2.592,358 3.578,360 8.043,361 2.526,362 3.913,363 2.729,364 5.772,365 3.479,366 2.553,367 3.377,369 7.837,370 2.294,371 3.621,372 2.51,373 5.054,374 3.176,375 2.229,376 3.038,378 6.071,379 2.091,380 3.253,381 2.432,382 4.69,383 2.752,384 1.805,385 2.55,387 4.948,388 1.696,389 2.997,390 1.854,391 4.272,392 2.455,393 1.527,394 2.177,396 3.75,397 1.403,398 2.727,399 1.488,400 3.913,401 2.169,402 1.23,403 1.772,405 3.032,406 1.139,407 2.5,408 1.172,409 3.711,410 2,411 1,412 1.5,414 2.575,415 1,416 2.5,417 1,418 3.456,419 2,420 1,421 1.5,423 2.275,424 1,425 2.5,426 1,427 3.414,428 1.984,429 1,430 1.5,432 2.275,433 0.983,434 2.44,435 1,436 3.414,437 1.892,438 0.945,439 1.382,441 2.192,442 0.886,443 2.277,444 0.826,445 3.247,446 1.716,447 0.792,448 1.169,450 2.136,451 0.73,452 1.137,453 0.62,454 2.605,455 0.725,456 -0.188,457 -0.236,459 -0.422,460 -0.166,461 0.965,462 0.301,463 2.512,464 0.504,465 -0.453,466 -0.594,468 -1.096,469 -0.422,470 13.152,471 0.487,472 0.644,473 0.024,474 40.5,475 1.5,476 23.5,477 0.87,478 17,479 0.63,480 17.941,481 0.664,482 27.048,483 0.629,484 29.792,485 1.103,486 8.054,487 0.298,488 5.06,489 0.187,490 0.085,492 0.367,495 1,497 0.545,498 0.959,499 0.724,500 0.931,501 0.569,502 0.805,503 0.683,504 1.023,505 1.025,506 1.087,507 0.581,508 0.931,509 1.117,510 1.081,511 1.027,512 1.01,513 1.067,514 1.008,515 1.059,516 1.04,517 1.039,518 0.992,519 0.909,520 1.052,521 0.717,522 0.694,523 0.72,524 0.677,525 0.564,526 0.839,527 0.446,528 0.776,529 0.686,530 0.856,531 0.416,532 0.929,533 0.461,534 0.996,535 0.879,536 1.094,537 0.567,538 1.166,539 0.905,540 0.972,541 0.883,542 0.948,543 0.88,544 1.093,545 5,546 0.136,547 3.333,548 1.41,549 1.466,550 1.202,551 0.457,552 0.28,553 0.357,554 0.275,555 8549,556 27336,557 2.12,558 37.2,560 13,562 2,563 1,568 1.706,569 2,570 3.291,571 -0.346,573 1,578 72.336,579 1.682,580 3.339,581 4.125,582 4.665,583 4.758,584 4.758,585 2.75,586 4.236,587 4.72,588 3.463,589 1215.67,590 8.228,591 15393.9,593 1,595 1,596 233.329,597 1.352,598 4.694,599 0.167,600 0.008,601 0.079,602 0.034,603 0.038,604 0.032,605 0.012,606 0.008,607 0.012,608 0.013,609 0.402,610 0.17,611 1,612 0.704,613 132.502,614 0.018,615 -0.04,616 0.116,617 0.009,618 -0.084,619 0.039,620 -0.009,621 -0.086,622 -0.1,623 -0.115,624 0.026,625 -0.044,626 -0.151,627 -0.103,628 -0.141,629 -0.081,630 -0.09,631 -0.096,632 -0.175,633 -0.093,634 -0.202,635 -0.121,636 -0.112,637 -0.148,638 -0.066,639 0.122,640 0.04,641 0.143,642 -0.04,643 0.12,644 0.137,645 0.077,646 0.099,647 0.015,648 0.074,649 0.039,650 0.218,651 -0.104,652 -0.058,653 -0.179,654 0.091,655 -0.209,656 -0.055,657 -0.064,658 -0.005,659 -0.034,660 -0.053,661 -0.071,662 2.25,663 5.338,664 0.852,665 25.295,666 1.009,667 1.113,668 3.69,669 13.619,670 0.73,671 3.434,672 3.761,673 4.043,674 4.304,675 4.575,676 4.718,677 4.875,678 4.99,679 5.165,680 5.231,681 6.08,682 0.699,683 377.47,684 3.434,685 4.977,686 5.832,687 6.711,688 7.588,689 8.477,690 9.365,691 10.26,692 11.154,693 12.053,694 7,702 1,704 2,709 12,710 2,711 1,714 8,716 23,734 1,735 43,737 24,738 2,739 30,741 46,742 21,743 20,744 4,745 8,748 4,749 4,762 20,763 1,767 1,772 1,777 1,780 1,781 1,783 16,784 4,785 1,786 6,787 1,789 1,792 3,796 1,797 1,808 1,814 1,815 3,842 4,844 1,846 1,848 1,850 27,852 1,871 1,872 2.3,875 1,879 13.5,880 8.126,881 5.889,882 2.38,884 3.419,885 1.461,886 1.04,887 4.763,888 10.831,889 3.773,890 4.404,891 5.025,892 5.633,893 6.205,894 6.579,895 7.074,896 7.513,897 8.009,898 8.403,899 0.857,900 42,901 9.975,903 4.309,904 7.872,905 18.812,907 15.524,909 2.372,910 64.056,913 1,914 176.567,915 167.25,916 50.357,918 22.156,919 14.96,920 19.133,921 148.118,922 198.723,923 65.317,924 7.19,926 113.895,927 81.598,928 57.866,929 17.717,930 153.024,932 176.567,933 198.474,934 37.117,935 19.133,937 191.527,938 22.156,941 39.965,942 124.938,943 33.571,944 19.133,945 191.527,946 72.513,947 167.25,950 195.699,951 28.07,952 120.048,953 16.786,954 70.688,955 176.567,956 87.473,957 167.25,959 0.583,960 0.337,961 0.176,962 0.102,963 21,964 9,965 0.087,966 4,968 1,969 3.869,970 237.009,972 23,973 116.382,977 1,979 17.477,980 7.358,981 3.635,983 70.688,984 20.936,985 8.82,986 3.368,989 5.372,991 16.786,992 431.29,993 42.5,998 11.6,1003 -1.028,1005 43.407,1006 47.87,1007 0.31,1008 0.615,1009 0.76,1010 0.86,1011 0.877,1012 0.877,1013 4.989,1014 1.23,1015 5.814,1016 3.75,1017 4.443,1018 5.091,1019 2.913,1020 6.624,1021 4.347,1022 6.21,1023 1,1024 7.372,1025 3.032,1026 4.007,1027 4.796,1029 7.529,1030 3.829,1031 7.516,1032 1,1033 9.031,1034 2.575,1035 6.033,1036 7.299,1037 5.027,1038 10.63,1039 5.859,1040 8.859,1041 1,1042 10.75,1043 2.275,1044 6.431,1045 7.837,1047 12.386,1048 6.185,1049 10.233,1050 0.945,1051 12.509,1052 2.275,1053 7.917,1054 9.773,1055 7.185,1056 15.002,1057 7.672,1058 11.63,1059 0.792,1060 14.294,1061 2.192,1062 8.694,1063 10.716,1065 17.109,1066 8.392,1067 13.044,1068 -0.188,1069 16.099,1070 2.136,1071 9.961,1072 12.395,1073 9.348,1074 19.567,1075 9.652,1076 3.204,1077 -0.453,1078 17.918,1079 -0.422,1080 10.922,1081 13.557,1083 21.832,1084 10.569,1085 2.819,1086 11.08,1087 19.749,1088 -1.096,1089 12.102,1090 15.108,1091 11.511,1092 24.24,1093 11.733,1094 2.592,1095 8.88,1096 21.589,1097 4.301,1098 13.154,1099 16.393,1101 26.576,1102 12.749,1103 2.553,1104 8.043,1105 23.437,1106 3.802,1107 14.303,1108 17.883,1109 13.675,1110 28.972,1111 13.876,1112 2.229,1113 7.837,1114 25.291,1115 3.578,1116 15.401,1117 19.238,1119 31.342,1120 14.942,1121 1.805,1122 6.071,1123 27.151,1124 3.377,1125 16.542,1126 20.7,1127 15.838,1128 33.738,1129 16.059,1130 1.527,1131 4.948,1132 29.017,1133 3.038,1134 17.665,1135 22.095,1137 36.124,1138 17.151,1139 8183,1140 14750,1141 20.285,1142 31.387,1143 46.121,1144 48.057,1145 46.538,1146 45.542,1147 45.393,1148 63.291,1149 5.9,1150 130.187,1151 43.112,1152 5.267,1153 6.698,1154 6.549,1155 5.207,1156 5.204,1157 7.301,1158 5.9,1159 18.235,1160 5.103,1161 12.043,1162 1.537,1163 1.602,1164 1.551,1165 1.518,1166 1.513,1167 2.11,1168 0.197,1169 4.34,1170 1.437,1171 4.093,1172 4.128,1173 4.34,1174 4.01,1175 8.201,1176 4.007,1177 3.902,1178 3.916,1179 4.036,1180 3.882,1181 7.398,1182 3.847,1183 3.833,1184 3.867,1185 3.785,1186 3.747,1187 5.032,1188 3.748,1189 3.636,1190 3.679,1191 3.708,1192 3.526,1193 4.839,1194 3.494,1195 3.381,1196 3.405,1197 3.463,1198 3.301,1199 4.641,1200 3.239,1201 2.895,1202 2.942,1203 2.853,1204 2.748,1205 4.503,1206 2.755,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.792,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.716,1218 2.715,1219 0.152,1220 0.157,1221 0.225,1222 0.139,1223 0.107,1224 4.568,1225 0.143,1226 4.698,1227 0.098,1228 6.747,1229 0.369,1230 4.172,1231 0.103,1232 3.204,1233 4.301,1234 2.95,1235 11.08,1236 3.103,1237 1.93,1238 1.915,1239 2.012,1240 2.02,1241 1.154,1242 2.022,1243 1.925,1244 1.902,1245 1.992,1246 1.994,1247 1.117,1248 2.009,1249 1.814,1250 1.782,1251 1.921,1252 1.923,1253 0.975,1254 1.928,1255 1.429,1256 1.415,1257 1.552,1258 1.597,1259 0.766,1260 1.633,1261 1.267,1262 1.221,1263 1.409,1264 1.469,1265 0.462,1266 1.481,1267 1.149,1268 1.086,1269 1.259,1270 1.358,1271 0.336,1272 1.335,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 4.111,1287 5.434,1288 2.398,1289 6.952,1290 4.727,1291 8.551,1292 6.862,1293 10.193,1295 1.649,1297 13.338,1312 30.037,1313 72.336,1314 143.581,1315 177.355,1316 200.574,1317 204.574,1318 204.574,1319 45.154,1320 7.412,1321 58.64,1322 77.85,1323 23,1324 12.577,1325 4.644,1326 3.755,1327 39.954,1328 97,1329 102,1330 0.203,1331 187.143,1332 316.15,1333 448.389,1334 14504,1335 2.3,1336 18.803,1337 0.696,1338 0.568,1339 18.221,1340 15.334,1341 13.114,1342 0.437,1343 0.329,1344 8.367,1345 12.075,1346 8.007,1347 6.652,1348 13.464,1349 9.876,1350 11.896,1351 0.283,1352 0.176,1353 12.132,1354 7.41,1355 10.047,1356 0.179,1357 0.093,1358 10.274,1359 5.186,1360 8.173,1361 0.112,1362 0.046,1363 8.451,1364 3.378,1365 6.78,1366 0.071,1367 0.024,1368 6.866,1369 2.284,1370 0.312,1371 88.885,1372 0.222,1373 25.663,1374 0.579,1375 144,1376 466.33,1377 180.557,1378 455.817,1379 618.46,1380 424,1381 170,1382 436.236,1383 204.305,1384 462.651,1385 666.94,1386 434,1387 5} {0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,119 50,121 1,142 10,143 3,144 2,145 2,146 1,147 1,166 1,172 11,175 5,178 1,180 3,183 14,188 7,191 1,193 4,196 10,200 10,205 2,208 8,213 8,218 3,221 13,224 1,225 3,230 1,233 13,238 1,239 3,244 2,247 11,253 3,261 8,266 1,269 1,274 8,278 911,279 17.361,280 17.361,281 17.361,282 17.361,283 17.361,284 14.555,285 18.364,286 10.512,287 17.698,288 13.875,289 13.875,290 13.875,291 13.875,292 13.875,293 9.836,294 28.435,295 5.06,296 14.462,297 3.826,298 2.106,299 1.23,300 0.6,301 0.5,302 0.45,303 3.972,304 1,307 1,308 1,309 572,310 2.345,314 266.179,318 101.355,321 1.856,322 13.492,324 1,325 0.75,326 1,327 1,328 0.6,330 1,331 1,332 0.76,333 52.333,334 260,335 4.596,336 3.258,337 6.707,338 4.135,339 3.153,340 4.543,341 0.68,342 10.902,343 3.096,344 4.03,345 2.961,346 5.8,347 3.622,348 2.659,349 3.625,350 0.4,351 8.069,352 2.567,353 3.92,354 2.823,355 5.423,356 3.508,357 2.531,358 3.467,360 7.166,361 2.46,362 3.64,363 2.533,364 5.255,365 3.188,366 2.251,367 3.075,369 6.536,370 2.109,371 3.404,372 2.184,373 4.905,374 2.943,375 2.007,376 2.76,378 5.669,379 1.851,380 3.274,381 1.907,382 4.658,383 2.783,384 1.831,385 2.591,387 4.855,388 1.673,389 2.887,390 1.516,391 3.792,392 2.382,393 1.44,394 2.053,396 3.102,397 1.355,398 2.777,399 1.288,400 3.598,401 2.267,402 1.281,403 1.913,405 2.852,406 1.26,407 2.5,408 1.076,409 3.562,410 2,411 1.013,412 1.5,414 2.575,415 1,416 2.5,417 1,418 3.414,419 1.994,420 1,421 1.5,423 2.275,424 0.99,425 2.465,426 1,427 3.247,428 1.984,429 1,430 1.449,432 2.136,433 0.983,434 1.729,435 0.741,436 3.101,437 1.405,438 0.449,439 0.552,441 1.119,442 0.42,443 1.313,444 0.426,445 2.764,446 0.935,447 0.02,448 0.025,450 0.048,451 0.016,452 1.014,453 -0.044,454 2.445,455 0.595,456 -0.34,457 -0.435,459 -0.814,460 -0.291,461 0.889,462 -0.429,463 2.304,464 0.391,465 -0.583,466 -0.833,468 -1.455,469 -0.561,470 12.314,471 0.493,472 0.465,473 0.019,474 38.25,475 1.53,476 22.5,477 0.9,478 15.75,479 0.63,480 15.877,481 0.635,482 24.286,483 0.607,484 25.535,485 1.021,486 7.668,487 0.307,488 4.625,489 0.185,490 0.058,492 0.284,497 0.647,498 1,499 0.571,500 0.8,501 0.649,502 0.771,503 0.742,504 1.154,505 0.711,506 0.975,507 0.732,508 0.954,509 1.087,510 1.111,511 1.012,512 1.045,513 1.037,514 1.035,515 1.127,516 1.198,517 0.96,518 1.059,519 1.031,520 1.042,521 1.034,522 1.003,523 0.653,524 0.784,525 0.874,526 0.81,527 1.183,528 0.863,529 0.903,530 0.846,531 1.108,532 0.925,533 0.58,534 0.996,535 0.789,536 1.07,537 0.729,538 1.098,539 0.655,540 1.086,541 0.906,542 1.158,543 0.779,544 1.175,545 4,546 0.029,547 2.222,548 1.188,549 1.24,550 0.542,551 0.405,552 0.302,553 0.2,554 0.117,555 7458,556 21561,557 2.179,558 37.5,560 10,562 2,563 1,564 2,568 1.681,569 2.113,570 3.346,571 -0.356,578 59.835,579 1.496,580 3.216,581 4.091,582 4.722,583 4.822,584 4.872,585 2.953,586 4.324,587 4.61,588 3.486,589 1045.76,590 7.983,591 12517.9,593 1,596 212.877,597 1.078,598 4.606,599 0.143,600 0.002,601 0.058,602 0.031,603 0.038,604 0.016,605 0.012,606 0.01,607 0.01,608 0.008,609 0.329,610 0.33,611 1,612 0.372,613 120.213,614 0.065,615 0.037,616 0.023,617 0.023,618 0.004,619 0.028,620 0.025,621 -0.141,622 -0.022,623 -0.113,624 -0.008,625 -0.107,626 -0.096,627 -0.099,628 -0.117,629 -0.119,630 -0.114,631 -0.118,632 -0.129,633 -0.181,634 -0.088,635 -0.115,636 -0.092,637 -0.086,638 -0.048,639 0.071,640 0.077,641 0.126,642 0.049,643 0.126,644 -0.21,645 0.2,646 -0.136,647 0.051,648 -0.184,649 -0.025,650 0.141,651 -0.049,652 0.001,653 -0.109,654 0.062,655 -0.117,656 0.138,657 -0.184,658 0.054,659 -0.132,660 0.083,661 -0.126,662 0.964,663 1.836,664 0.88,665 23.142,666 1.001,667 1.111,668 4.196,669 17.604,670 0.736,671 3.367,672 3.664,673 3.932,674 4.205,675 4.489,676 4.489,677 4.654,678 4.812,679 4.927,680 4.934,681 6.034,682 0.702,683 346.84,684 3.367,685 4.89,686 5.733,687 6.6,688 7.462,689 8.336,690 9.208,691 10.087,692 10.964,693 11.846,694 10,702 1,704 3,708 2,709 12,710 3,714 5,716 23,728 1,734 1,735 40,737 23,738 2,739 28,741 43,742 20,743 19,744 4,745 8,748 4,749 5,750 1,760 1,762 19,763 1,783 15,784 4,785 1,786 5,787 1,792 4,796 0.75,807 1,808 1,815 4,819 1,842 3,847 1,850 25,856 1,858 1,871 1,879 11.833,880 7.243,881 5.5,882 2.316,884 3.948,885 1.535,886 1.037,887 4.384,888 11.331,889 3.701,890 4.337,891 4.951,892 5.564,893 6.178,894 6.381,895 6.84,896 7.327,897 7.786,898 8.027,899 1,900 38,901 9.15,903 3.847,904 7.611,905 17.582,907 14.353,909 2.111,910 52.778,913 1,914 164.795,915 135.065,916 68.122,917 39.149,921 135.065,922 203.944,923 68.122,925 2.535,926 94.762,927 73.654,928 53.451,929 2.328,930 141.253,931 39.149,932 164.795,933 203.188,935 39.149,937 164.795,941 41.397,942 111.679,943 89.26,945 164.795,946 68.122,947 174.214,950 164.795,951 22.208,952 112.857,953 18.011,954 89.26,955 164.795,956 68.122,957 174.214,959 0.572,960 0.329,961 0.183,962 0.108,963 19,964 7,965 0.093,966 4,967 1,968 1.091,969 3.806,970 209.623,971 0.091,972 22,973 108.096,979 15.707,980 6.978,981 3.506,982 2.127,983 68.122,984 23.267,985 12.929,989 4.465,991 18.011,992 407.132,993 39.5,1005 40.033,1006 44.428,1007 0.281,1008 0.604,1009 0.769,1010 0.887,1011 0.906,1012 0.915,1013 4.896,1014 1.281,1015 5.687,1016 3.102,1017 4.344,1018 5.024,1019 0.809,1020 6.46,1021 4.269,1022 6.102,1023 1.013,1024 7.212,1025 2.852,1026 3.761,1027 4.691,1029 7.273,1030 3.613,1031 7.397,1032 1,1033 8.838,1034 2.575,1035 5.889,1036 7.267,1037 0.391,1038 10.395,1039 5.76,1040 8.73,1041 1,1042 10.528,1043 2.275,1044 6.155,1045 7.805,1047 12.104,1048 5.979,1049 10.095,1050 0.449,1051 12.262,1052 2.136,1053 7.713,1054 9.802,1055 0.187,1056 14.736,1057 7.545,1058 11.486,1059 0.02,1060 14.028,1061 1.119,1062 8.404,1063 10.798,1065 16.832,1066 8.209,1067 12.897,1068 -0.34,1069 15.817,1070 0.048,1071 9.711,1072 12.527,1073 0.089,1074 19.301,1075 9.512,1076 3.153,1077 -0.583,1078 17.626,1079 -0.814,1080 10.624,1081 13.773,1083 21.565,1084 10.407,1085 2.659,1086 10.902,1087 19.45,1088 -1.455,1089 11.821,1090 15.376,1091 0.042,1092 23.98,1093 11.595,1094 2.531,1095 8.069,1096 21.287,1097 4.543,1098 12.848,1099 16.755,1101 26.315,1102 12.606,1103 2.251,1104 7.166,1105 23.134,1106 3.625,1107 14.002,1108 18.301,1109 0.019,1110 28.712,1111 13.748,1112 2.007,1113 6.536,1114 24.99,1115 3.467,1116 15.085,1117 19.747,1119 31.076,1120 14.816,1121 1.831,1122 5.669,1123 26.854,1124 3.075,1125 16.224,1126 21.27,1127 0.009,1128 33.468,1129 15.942,1130 1.44,1131 4.855,1132 28.724,1133 2.76,1134 17.336,1135 22.75,1137 35.845,1138 17.039,1139 7000,1140 12027,1141 19.474,1142 29.449,1143 41.584,1144 41.973,1145 41.88,1146 41.449,1147 41.266,1148 58.109,1149 2.16,1150 114.607,1151 39.561,1152 5.378,1153 5.258,1154 6.509,1155 5.178,1156 5.153,1157 7.543,1158 1.36,1159 18.155,1160 5.096,1161 6.696,1162 1.485,1163 1.499,1164 1.496,1165 1.48,1166 1.474,1167 2.075,1168 0.077,1169 4.093,1170 1.413,1171 4.095,1172 4.126,1173 4.071,1174 4.02,1175 5.089,1176 4.025,1177 3.883,1178 3.913,1179 3.966,1180 3.826,1181 4.932,1182 3.818,1183 3.846,1184 3.882,1185 3.787,1186 3.757,1187 4.886,1188 3.758,1189 3.406,1190 3.47,1191 3.412,1192 3.24,1193 4.544,1194 3.253,1195 3.224,1196 3.285,1197 3.292,1198 3.077,1199 4.375,1200 3.085,1201 2.89,1202 2.946,1203 3.047,1204 2.785,1205 3.996,1206 2.771,1207 2.854,1208 2.925,1209 2.709,1210 2.735,1211 3.775,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.674,1218 2.715,1219 0.164,1220 0.116,1221 0.24,1222 0.148,1223 0.113,1224 4.596,1225 0.162,1226 3.258,1227 0.024,1228 6.707,1229 0.389,1230 4.135,1231 0.111,1232 3.153,1233 4.543,1234 0.68,1235 10.902,1236 3.096,1237 2.047,1238 2.023,1239 2.119,1240 2.141,1241 1.278,1242 2.135,1243 1.872,1244 1.847,1245 1.969,1246 1.966,1247 1.07,1248 1.974,1249 1.827,1250 1.793,1251 1.943,1252 1.929,1253 1.033,1254 1.939,1255 1.354,1256 1.298,1257 1.52,1258 1.553,1259 0.604,1260 1.544,1261 1.18,1262 1.127,1263 1.344,1264 1.376,1265 0.418,1266 1.378,1267 0.886,1268 0.821,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.845,1280 0.803,1281 1.122,1282 1.044,1283 0.202,1284 1.066,1285 4.043,1287 5.342,1289 6.851,1291 8.455,1293 10.108,1296 5.947,1301 0.72,1303 3.323,1312 28.074,1313 59.835,1314 128.638,1315 163.658,1316 188.877,1317 192.877,1318 194.877,1319 28.938,1320 7.383,1321 50.7,1322 50.7,1323 24,1324 12.382,1325 4.585,1326 3.644,1327 35.852,1328 89,1329 97,1330 0.197,1331 176.352,1332 291.69,1333 422.06,1334 15672,1335 2.5,1336 17.062,1337 0.682,1338 0.564,1339 17.562,1340 14.111,1341 12.293,1342 0.439,1343 0.298,1344 7.92,1345 11.714,1346 7.714,1347 6.399,1348 12.582,1349 8.33,1350 10.811,1351 0.285,1352 0.162,1353 11.219,1354 6.141,1355 9.126,1356 0.183,1357 0.085,1358 9.415,1359 4.244,1360 7.644,1361 0.116,1362 0.044,1363 7.811,1364 2.872,1365 6.731,1366 0.076,1367 0.023,1368 6.967,1369 2.061,1370 0.306,1371 78.749,1372 0.227,1373 24.261,1374 0.551,1375 132,1376 355.472,1377 154.458,1378 388.218,1379 533.19,1380 364,1381 154,1382 381.691,1383 171.363,1384 400.645,1385 578.74,1386 378,1387 5} {0 CHEMBL101311,1 1.73,2 14.1,3 5.152,4 26.543,5 120.009,6 8.46,7 0.563,8 4.07,9 4.188,10 3.731,11 3.583,12 5.213,13 3.57,14 4.569,15 4.741,16 4.092,17 3.937,18 5.697,19 3.904,20 4.801,21 4.985,22 4.147,23 4.057,24 5.935,25 3.983,26 4.86,27 5.112,28 4.026,29 3.997,30 5.849,31 3.893,32 4.723,33 4.934,34 4.105,35 3.958,36 5.863,37 3.878,38 4.728,39 4.96,40 3.967,41 3.921,42 5.774,43 3.838,44 4.57,45 4.779,46 3.901,47 3.84,48 5.662,49 3.75,50 4.516,51 4.748,52 3.729,53 3.75,54 5.523,55 3.635,56 0.1,57 0.772,58 9.415,59 4.391,60 12.304,61 5.563,62 0.361,63 1.165,64 19.414,65 7.212,66 29.03,67 9.206,68 0.631,69 1.321,70 29.822,71 9.289,72 56.607,73 11.89,74 0.656,75 1.304,76 37.578,77 10.588,78 52.797,79 14.354,80 0.566,81 1.207,82 31.512,83 8.852,84 60.277,85 11.529,86 0.517,87 1.177,88 29.502,89 9.133,90 50.678,91 12.098,92 0.461,93 1.067,94 24.163,95 7.473,96 38.969,97 10.17,98 0.372,99 0.988,100 23.702,101 7.502,102 32.674,103 10.461,104 31,105 43,106 0.288,107 0.626,108 0.78,109 0.856,110 0.862,111 0.862,112 3.439,113 0.94,114 -4.36,115 -4.29,116 -4.05,119 39.6,124 2,125 2,127 1,142 8,144 5,145 1,147 1,150 1,172 3,174 1,175 4,178 3,180 4,183 6,188 2,191 2,193 4,196 6,199 1,200 5,203 1,204 1,205 3,208 1,213 6,216 1,218 2,221 3,225 5,230 5,233 4,238 2,239 4,244 4,247 2,253 2,257 1,258 2,261 2,266 1,269 2,274 6,278 1624,279 19.825,280 19.825,281 19.825,282 19.825,283 19.825,284 17.549,285 29.83,286 11.886,287 20.591,288 15.826,289 15.826,290 15.826,291 15.826,292 15.826,293 12.499,294 48.136,295 5.741,296 17.215,297 3.998,298 1.973,299 1.047,300 0.595,301 0.557,302 0.557,303 4.121,304 2,307 1,308 1,309 884,310 3.808,314 331.572,321 2.44,322 27.867,325 1,326 1,327 0.83,328 1,329 0.5,330 1,331 1,332 0.9,333 65.167,334 423,335 4.268,336 3.245,337 6.104,338 3.832,339 2.908,340 3.91,341 0.86,342 8.938,343 2.663,344 4.112,345 2.988,346 5.681,347 3.685,348 2.745,349 3.716,350 0.8,351 7.972,352 2.582,353 3.965,354 2.868,355 5.443,356 3.511,357 2.585,358 3.565,359 0.4,360 7.249,361 2.378,362 3.568,363 2.77,364 5.239,365 3.4,366 2.464,367 2.842,368 0.4,369 6.665,370 2.294,371 3.465,372 2.71,373 5.126,374 3.151,375 2.227,376 2.743,378 6.356,379 2.053,380 3.413,381 2.498,382 4.919,383 2.939,384 2.077,385 2.501,387 5.686,388 1.77,389 3.217,390 2.222,391 4.799,392 2.79,393 1.886,394 2.437,396 5.363,397 1.654,398 2.845,399 2.054,400 4.296,401 2.711,402 1.792,403 1.96,405 4.295,406 1.601,407 2.824,408 1.642,409 4.157,410 2.365,411 1.415,412 1.846,414 3.729,415 1.301,416 2.653,417 1.238,418 3.496,419 2.118,420 1.178,421 1.725,423 2.617,424 1.105,425 2.5,426 1.167,427 3.414,428 2,429 1,430 1.5,432 2.275,433 1,434 1.793,435 1,436 3.138,437 1.548,438 0.673,439 0.731,441 1.546,442 0.583,443 1.556,444 0.873,445 2.988,446 1.133,447 0.293,448 0.356,450 0.682,451 0.211,452 1.307,453 0.327,454 2.819,455 1.001,456 0.073,457 0.087,459 0.188,460 0.067,461 1.106,462 0.196,463 2.369,464 0.65,465 -0.176,466 -0.214,468 -0.444,469 -0.128,470 14.595,471 0.487,472 0.787,473 0.026,474 39.5,475 1.317,476 19.5,477 0.65,478 20,479 0.667,480 24.139,481 0.805,482 32.805,483 0.619,484 29.874,485 0.996,486 8.025,487 0.267,488 6.36,489 0.212,490 0.189,492 0.301,497 0.902,498 1.474,499 0.604,500 0.988,501 0.908,502 0.91,503 1.029,504 1.014,505 0.69,506 0.816,507 0.791,508 0.836,509 1.219,510 1.227,511 1.041,512 1.078,513 1.222,514 1.103,515 0.977,516 0.848,517 0.874,518 0.832,519 0.811,520 0.828,521 1.07,522 1.028,523 0.755,524 0.889,525 1.318,526 0.928,527 1.126,528 0.969,529 0.724,530 0.769,531 0.971,532 0.791,533 0.816,534 1.109,535 0.923,536 1.034,537 0.871,538 1.053,539 0.617,540 1.089,541 0.846,542 1.079,543 0.574,544 1.071,545 7.5,546 0.128,547 2.444,548 1.688,549 1.458,550 0.618,551 0.586,552 0.444,553 0.242,554 0.217,555 13122,556 41329,557 2.012,558 43.4,560 19,562 1,563 3,568 1.722,569 1.875,570 3.762,571 0.933,578 91.69,579 1.73,580 3.755,581 4.681,582 5.133,583 5.171,584 5.171,585 3.248,586 4.44,587 4.875,588 3.984,589 1733.18,590 8.471,591 26063.9,596 303.58,597 1.436,598 4.831,599 0.234,600 0.005,601 0.057,602 0.041,603 0.039,604 0.017,605 0.016,606 0.014,607 0.009,608 0.009,609 0.442,610 0.17,611 1,612 1.412,613 159.05,614 -0.106,615 -0.244,616 0.007,617 -0.056,618 -0.161,619 -0.01,620 -0.055,621 0.132,622 0.042,623 0.096,624 0.034,625 0.066,626 -0.077,627 -0.181,628 -0.127,629 -0.128,630 -0.106,631 -0.178,632 0.017,633 0.084,634 0.084,635 0.132,636 0.063,637 0.164,638 -0.021,639 -0.02,640 0.111,641 0.059,642 -0.042,643 0.024,644 -0.093,645 -0.019,646 0.116,647 0.185,648 -0.008,649 0.186,650 0.063,651 -0.057,652 -0.034,653 -0.082,654 -0.008,655 -0.097,656 0.115,657 -0.086,658 0.014,659 -0.113,660 0.074,661 -0.074,662 1.88,663 3.877,664 0.6,665 38.142,666 1.012,667 1.131,668 3.131,669 9.803,670 0.684,671 3.497,672 3.784,673 3.932,674 4.143,675 4.344,676 4.304,677 4.382,678 4.533,679 4.595,680 4.663,681 8.365,682 0.65,683 448.39,684 3.497,685 5.017,686 5.82,687 6.668,688 7.487,689 8.336,690 9.163,691 10.012,692 10.843,693 11.693,694 9.4,697 1,702 2,704 2,709 9,710 2,714 7,716 18,728 2,733 1,734 2,735 53,737 18,738 2,739 32,741 55,742 21,743 16,744 5,745 7,748 3,749 3,750 2,760 1,762 16,763 5,783 23,784 7,785 3,786 9,787 2,792 5,796 1,797 2,799 1,809 1,815 3,838 1,840 1,842 3,846 2,847 2,850 30,855 1,856 2,858 2,859 1,861 1,862 1,871 2,872 3.8,873 1,877 1,879 16,880 9.836,881 6.611,882 2.82,884 3.345,885 1.45,886 0.936,887 8.128,888 10.773,889 3.738,890 4.297,891 4.76,892 5.277,893 5.813,894 5.867,895 6.148,896 6.616,897 6.966,898 7.286,899 1,900 41,901 11.009,903 4.51,904 7.791,905 20.755,907 16.199,909 2.291,910 68.722,913 1,914 235.422,915 130.333,916 72.717,917 78.297,918 53.683,921 130.333,922 367.403,923 72.717,924 16.793,925 6.698,926 118.493,927 45.342,928 76.951,929 4.227,930 223.651,931 78.297,932 235.422,933 203.05,934 53.683,935 78.297,937 235.422,938 11,939 42.683,941 56.79,942 112.689,943 111.868,945 235.422,946 126.4,947 208.631,950 235.422,951 28.683,952 104.774,953 36.022,954 165.552,955 235.422,956 126.4,957 208.631,959 0.576,960 0.306,961 0.159,962 0.088,963 18,964 9,965 0.164,966 9,968 1,969 4.261,970 243.367,972 18,973 139.207,979 22.591,980 10.794,981 7.285,983 126.4,984 15.881,985 8.675,989 4.246,991 78.705,992 570.453,993 41,1005 53.647,1006 59.95,1007 0.302,1008 0.656,1009 0.817,1010 0.896,1011 0.903,1012 0.903,1013 4.952,1014 1.792,1015 5.79,1016 5.363,1017 4.466,1018 4.984,1019 1.406,1020 6.506,1021 4.3,1022 6.137,1023 1.415,1024 7.291,1025 4.295,1026 4.007,1027 4.677,1028 0.325,1029 7.168,1030 3.684,1031 7.412,1032 1.178,1033 8.878,1034 3.729,1035 5.979,1036 7.086,1037 0.977,1038 10.178,1039 5.667,1040 8.714,1041 1,1042 10.513,1043 2.617,1044 6.236,1045 7.499,1046 0.268,1047 11.586,1048 5.762,1049 10.041,1050 0.673,1051 12.177,1052 2.275,1053 7.712,1054 9.436,1055 0.74,1056 14.109,1057 7.254,1058 11.385,1059 0.293,1060 13.861,1061 1.546,1062 8.323,1063 10.217,1064 0.188,1065 15.876,1066 7.713,1067 12.744,1068 0.073,1069 15.559,1070 0.682,1071 9.572,1072 11.918,1073 0.571,1074 18.195,1075 8.962,1076 2.908,1077 -0.176,1078 17.27,1079 0.188,1080 10.375,1081 12.913,1082 0.125,1083 20.152,1084 9.628,1085 2.745,1086 8.938,1087 18.991,1088 -0.444,1089 11.512,1090 14.476,1091 0.439,1092 22.381,1093 10.745,1094 2.585,1095 7.972,1096 20.72,1097 3.91,1098 12.422,1099 15.601,1100 0.082,1101 24.44,1102 11.532,1103 2.464,1104 7.249,1105 22.457,1106 3.716,1107 13.505,1108 17.079,1109 0.334,1110 26.632,1111 12.576,1112 2.227,1113 6.665,1114 24.201,1115 3.565,1116 14.474,1117 18.285,1118 0.054,1119 28.745,1120 13.433,1121 2.077,1122 6.356,1123 25.95,1124 2.842,1125 15.532,1126 19.711,1127 0.252,1128 30.923,1129 14.438,1130 1.886,1131 5.686,1132 27.705,1133 2.743,1134 16.534,1135 20.968,1136 0.035,1137 33.066,1138 15.338,1139 12898,1140 23138,1141 20.978,1142 36.267,1143 47.1,1144 47.768,1145 47.99,1146 46.908,1147 46.635,1148 59.833,1149 4.92,1150 127.123,1151 42.524,1152 5.163,1153 5.245,1154 5.655,1155 4.908,1156 4.908,1157 6.91,1158 1.72,1159 15.188,1160 4.663,1161 17.083,1162 1.472,1163 1.493,1164 1.5,1165 1.466,1166 1.457,1167 1.87,1168 0.154,1169 3.973,1170 1.329,1171 3.979,1172 4.018,1173 4.091,1174 3.882,1175 6.449,1176 3.883,1177 3.896,1178 3.919,1179 3.891,1180 3.824,1181 5.068,1182 3.824,1183 3.764,1184 3.812,1185 3.743,1186 3.609,1187 4.97,1188 3.631,1189 3.705,1190 3.768,1191 3.629,1192 3.503,1193 4.824,1194 3.512,1195 3.383,1196 3.454,1197 3.58,1198 3.13,1199 4.668,1200 3.137,1201 3.121,1202 3.193,1203 3.222,1204 2.921,1205 4.351,1206 2.933,1207 3,1208 3.067,1209 3.049,1210 2.865,1211 4.272,1212 2.853,1213 2.899,1214 3.009,1215 2.918,1216 2.787,1217 4.138,1218 2.781,1219 0.133,1220 0.101,1221 0.191,1222 0.12,1223 0.091,1224 4.268,1225 0.122,1226 3.245,1227 0.027,1228 6.104,1229 0.279,1230 3.832,1231 0.083,1232 2.908,1233 3.91,1234 0.86,1235 8.938,1236 2.663,1237 1.903,1238 1.876,1239 1.997,1240 2.041,1241 1.164,1242 2.026,1243 1.874,1244 1.853,1245 1.938,1246 1.971,1247 1.066,1248 1.972,1249 1.699,1250 1.653,1251 1.894,1252 1.903,1253 1.054,1254 1.905,1255 1.654,1256 1.589,1257 1.786,1258 1.842,1259 0.788,1260 1.837,1261 1.338,1262 1.259,1263 1.647,1264 1.616,1265 0.773,1266 1.627,1267 1.037,1268 0.975,1269 1.417,1270 1.304,1271 0.469,1272 1.308,1273 0.942,1274 0.881,1275 1.239,1276 1.239,1277 0.407,1278 1.286,1279 0.934,1280 0.827,1281 1.191,1282 1.191,1283 0.239,1284 1.192,1285 4.174,1287 5.468,1289 6.932,1291 8.476,1293 10.06,1295 3.805,1296 12.216,1300 9.877,1301 0.773,1303 6.276,1304 5.611,1306 -0.547,1307 1.907,1312 34.46,1313 91.69,1314 198.997,1315 248.07,1316 272.07,1317 274.07,1318 274.07,1319 54.969,1320 7.428,1321 82.54,1322 82.54,1323 18,1324 12.255,1325 4.248,1326 3.322,1327 55.744,1328 151,1329 148,1330 0.177,1331 222.313,1332 381.32,1333 534.203,1334 18794,1335 3.8,1336 21.51,1337 0.717,1338 0.605,1339 22.51,1340 18.153,1341 14.385,1342 0.45,1343 0.313,1344 9.17,1345 13.213,1346 8.837,1347 7.372,1348 14.962,1349 10.022,1350 13.224,1351 0.308,1352 0.18,1353 14.004,1354 7.735,1355 9.727,1356 0.195,1357 0.091,1358 10.369,1359 4.54,1360 7.907,1361 0.128,1362 0.048,1363 8.361,1364 2.987,1365 6.325,1366 0.083,1367 0.026,1368 7.051,1369 1.974,1370 0.29,1371 96.607,1372 0.218,1373 29.209,1374 0.455,1375 150,1376 469.893,1377 196.205,1378 513.683,1379 674.71,1380 478,1381 168,1382 442.65,1383 205.1,1384 469.595,1385 676.64,1386 438,1387 5.3} {0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,119 40.8,120 4,123 1,125 6,142 11,143 3,144 3,146 1,153 1,159 1,166 1,172 15,175 7,178 3,179 1,180 3,183 18,187 2,188 11,191 1,193 3,196 14,199 1,200 11,203 1,205 8,208 6,212 1,213 8,216 2,218 9,221 6,224 1,225 11,230 6,233 11,238 1,239 13,242 1,244 7,247 11,253 9,256 1,258 1,261 12,265 1,266 8,271 1,274 23,278 3163,279 26.126,280 26.126,281 26.126,282 26.126,283 26.126,284 23.423,285 36.989,286 15.44,287 26.724,288 21.281,289 21.281,290 21.281,291 21.281,292 21.281,293 17.125,294 47.755,295 7.396,296 22.217,297 4.772,298 2.742,299 1.666,300 1.109,301 0.948,302 0.922,303 4.396,308 1,309 1298,310 4.359,313 114.727,314 481.223,318 186.324,321 2.479,322 29.015,325 0.75,326 0.83,327 0.83,328 0.9,329 0.5,330 0.83,331 1,332 0.81,333 83.5,334 598,335 4.594,336 3.613,337 7.139,338 4.35,339 3.366,340 4.54,341 1.656,342 11.836,343 3.316,344 4.578,345 3.536,346 6.702,347 4.127,348 3.145,349 4.211,350 0.86,351 10.879,352 3.09,353 4.199,354 3.227,355 6.493,356 3.921,357 2.963,358 3.597,359 0.86,360 10.131,361 2.833,362 3.865,363 3.067,364 5.74,365 3.496,366 2.54,367 3.226,368 0.8,369 7.766,370 2.449,371 3.751,372 2.893,373 5.388,374 3.436,375 2.505,376 3.142,377 0.247,378 6.968,379 2.325,380 3.541,381 2.607,382 5.339,383 3.358,384 2.387,385 2.819,387 6.89,388 2.29,389 3.493,390 2.558,391 5.051,392 3.117,393 2.149,394 2.652,396 6.04,397 2.068,398 3.333,399 2.177,400 4.897,401 2.913,402 1.937,403 2.516,405 5.529,406 1.887,407 3.228,408 2.106,409 4.668,410 2.794,411 1.8,412 2.453,414 4.897,415 1.783,416 2.784,417 2.025,418 4.433,419 2.444,420 1.557,421 1.922,423 3.995,424 1.373,425 2.669,426 1.571,427 3.952,428 2.293,429 1.327,430 1.71,432 3.269,433 1.286,434 2.6,435 1.484,436 3.81,437 2.267,438 1.289,439 1.609,441 2.868,442 1.251,443 2.5,444 1.287,445 3.647,446 2.093,447 1.173,448 1.5,450 2.824,451 1.07,452 2.471,453 1.256,454 3.596,455 2,456 1,457 1.461,459 2.727,460 1,461 2.387,462 1.078,463 3.414,464 1.952,465 1,466 1.337,468 2.275,469 0.946,470 18.5,471 0.474,472 1.069,473 0.027,474 48.25,475 1.237,476 23,477 0.59,478 25.25,479 0.647,480 39.35,481 1.009,482 42.7,483 0.562,484 40.967,485 1.05,486 9.39,487 0.241,488 9.385,489 0.241,490 0.126,491 0.027,492 0.286,497 0.823,498 1.355,499 0.848,500 1.168,501 0.701,502 1.032,503 1.066,504 1.074,505 0.877,506 0.93,507 0.65,508 0.888,509 1.194,510 1.173,511 1.133,512 1.094,513 0.997,514 1.101,515 0.848,516 1.07,517 0.894,518 0.991,519 0.789,520 0.946,521 1.337,522 0.979,523 0.964,524 0.871,525 1.263,526 0.863,527 1.433,528 1.037,529 1.075,530 0.924,531 1.478,532 0.939,533 0.944,534 1.197,535 1.016,536 1.117,537 1.482,538 1.078,539 1.284,540 0.945,541 1.167,542 0.976,543 2.046,544 1.041,545 8.5,546 0.325,547 4.444,548 2.438,549 2.225,550 1.507,551 1.122,552 0.646,553 0.637,554 0.365,555 26024,556 58050,557 2.088,558 48.7,559 12,560 23,563 2,568 1.794,569 1.958,570 3.818,571 0.111,578 112.148,579 1.476,580 3.506,581 4.582,582 5.139,583 5.3,584 5.326,585 3.329,586 4.785,587 5.253,588 4.051,589 3002.02,590 9.269,591 52076,596 474.842,597 1.496,598 5.213,599 0.198,600 0.007,601 0.073,602 0.04,603 0.038,604 0.026,605 0.02,606 0.011,607 0.012,608 0.007,609 0.431,610 0.17,611 0.75,612 0.651,613 220.011,614 0.029,615 -0.126,616 0.071,617 -0.067,618 -0.056,619 -0.005,620 0.06,621 0.049,622 0.102,623 0.09,624 0.119,625 0.094,626 -0.074,627 -0.076,628 -0.149,629 -0.098,630 -0.071,631 -0.131,632 0.045,633 -0.067,634 0.091,635 -0.024,636 0.071,637 0.032,638 -0.034,639 0.03,640 0.066,641 0.065,642 0.065,643 0.078,644 -0.118,645 0.032,646 -0.06,647 0.044,648 -0.046,649 0.01,650 0.049,651 -0.131,652 -0.043,653 -0.107,654 0.091,655 -0.089,656 -0.195,657 0.079,658 -0.175,659 0.005,660 -0.305,661 -0.068,662 2.005,663 6.244,664 0.692,665 51.546,666 0.995,667 1.128,668 3.837,669 14.725,670 0.652,671 3.784,672 4.127,673 4.369,674 4.635,675 4.89,676 4.977,677 5.075,678 5.165,679 5.313,680 5.366,681 8.816,682 0.614,683 527.73,684 3.784,685 5.342,686 6.188,687 7.074,688 7.942,689 8.832,690 9.711,691 10.604,692 11.488,693 12.383,694 6.6,697 1,701 2,702 1,704 1,708 2,709 11,710 1,714 6,715 1,716 22,733 1,735 76,737 23,738 3,739 43,741 80,742 31,743 19,744 6,745 10,748 5,749 6,753 1,754 4,755 1,762 20,763 11,767 1,772 1,776 1,783 37,784 7,785 2,786 8,792 5,796 0.8,797 3,806 1,814 1,815 4,819 1,838 1,841 1,842 4,846 4,850 39,856 6,858 2,859 2,862 1,863 1,872 3.9,875 1,876 1,877 1,879 19.917,880 14.767,881 8.389,882 4.573,884 4.045,885 1.479,886 0.975,887 8.336,888 12.497,889 4.025,890 4.627,891 5.201,892 5.808,893 6.349,894 6.657,895 7.013,896 7.346,897 7.713,898 7.802,899 1,900 61,901 14.458,903 6.092,904 7.583,905 28.075,907 23.074,909 2.083,910 81.25,914 411.989,915 188.083,916 57.585,918 47.145,921 188.083,922 459.133,923 57.585,924 35.301,925 56.116,926 104.239,927 52.808,928 40.074,929 4.276,930 411.989,932 411.989,933 245.668,934 47.145,937 411.989,938 36.145,939 11,941 101.402,942 127.603,943 16.663,945 411.989,946 104.73,947 188.083,950 411.989,951 48.543,952 144.44,953 36.022,954 63.808,955 411.989,956 104.73,957 188.083,959 0.586,960 0.329,961 0.176,962 0.103,963 29,964 13,965 0.1,966 8,967 1,968 1.074,969 4.894,970 385.073,971 0.074,972 27,973 193.376,979 27.35,980 11.887,981 6.683,982 1.871,983 102.954,984 21.784,985 4.812,989 5.055,990 1.781,991 36.022,992 704.801,993 55,998 13.244,1002 -0.338,1005 75.629,1006 85.763,1007 0.236,1008 0.561,1009 0.733,1010 0.822,1011 0.848,1012 0.853,1013 5.281,1014 1.937,1015 6.196,1016 6.04,1017 4.812,1018 5.316,1019 2.274,1020 7.029,1021 4.737,1022 6.494,1023 1.8,1024 7.772,1025 5.529,1026 4.511,1027 5.182,1028 1.305,1029 8.116,1030 4.43,1031 7.813,1032 1.557,1033 9.458,1034 4.897,1035 6.46,1036 7.526,1037 2.627,1038 11.162,1039 6.326,1040 9.168,1041 1.327,1042 11.212,1043 3.995,1044 6.976,1045 8.228,1046 2.354,1047 13.082,1048 6.845,1049 10.558,1050 1.289,1051 13.012,1052 3.269,1053 8.428,1054 10.072,1055 3.315,1056 15.702,1057 8.256,1058 11.972,1059 1.173,1060 14.844,1061 2.868,1062 9.309,1063 11.176,1064 3.414,1065 17.936,1066 9.137,1067 13.406,1068 1,1069 16.699,1070 2.824,1071 10.577,1072 12.813,1073 4.177,1074 20.428,1075 10.378,1076 3.366,1077 1,1078 18.572,1079 2.727,1080 11.623,1081 14.116,1082 4.466,1083 22.783,1084 11.419,1085 3.145,1086 11.836,1087 20.459,1088 2.275,1089 12.826,1090 15.665,1091 5.117,1092 25.235,1093 12.603,1094 2.963,1095 10.879,1096 22.356,1097 4.54,1098 13.946,1099 17.066,1100 5.504,1101 27.64,1102 13.716,1103 2.54,1104 10.131,1105 24.263,1106 4.211,1107 15.13,1108 18.579,1109 6.093,1110 30.083,1111 14.884,1112 2.505,1113 7.766,1114 26.176,1115 3.597,1116 16.285,1117 20.028,1118 6.531,1119 32.509,1120 16.029,1121 2.387,1122 6.968,1123 28.094,1124 3.226,1125 17.466,1126 21.529,1127 7.084,1128 34.951,1129 17.197,1130 2.149,1131 6.89,1132 30.018,1133 3.142,1134 18.638,1135 23.001,1136 7.551,1137 37.389,1138 18.358,1139 24443,1140 36729,1141 28.72,1142 49.574,1143 65.312,1144 66.112,1145 65.558,1146 64.61,1147 64.651,1148 82.321,1149 8.846,1150 187.972,1151 62.139,1152 5.594,1153 5.613,1154 6.941,1155 5.453,1156 5.366,1157 7.54,1158 2.912,1159 19.07,1160 5.316,1161 19.333,1162 1.519,1163 1.537,1164 1.525,1165 1.503,1166 1.504,1167 1.914,1168 0.206,1169 4.371,1170 1.445,1171 4.112,1172 4.142,1173 4.073,1174 4.047,1175 7.431,1176 4.048,1177 4.037,1178 4.073,1179 4,1180 3.922,1181 4.985,1182 3.933,1183 3.82,1184 3.869,1185 3.743,1186 3.737,1187 4.932,1188 3.734,1189 3.807,1190 3.859,1191 3.685,1192 3.586,1193 4.647,1194 3.601,1195 3.593,1196 3.656,1197 3.496,1198 3.417,1199 4.629,1200 3.424,1201 3.5,1202 3.546,1203 3.392,1204 3.374,1205 4.501,1206 3.374,1207 3.427,1208 3.478,1209 3.321,1210 3.194,1211 4.288,1212 3.213,1213 3.289,1214 3.343,1215 3.166,1216 3.059,1217 4.219,1218 3.081,1219 0.107,1220 0.084,1221 0.166,1222 0.101,1223 0.078,1224 4.594,1225 0.106,1226 3.613,1227 0.039,1228 7.139,1229 0.275,1230 4.35,1231 0.077,1232 3.366,1233 4.54,1234 1.656,1235 11.836,1236 3.316,1237 2.066,1238 2.051,1239 2.137,1240 2.136,1241 1.294,1242 2.136,1243 1.925,1244 1.894,1245 2.04,1246 2.032,1247 1.249,1248 2.033,1249 1.784,1250 1.737,1251 1.992,1252 1.982,1253 1.211,1254 1.977,1255 1.735,1256 1.673,1257 1.955,1258 1.919,1259 1.145,1260 1.946,1261 1.523,1262 1.477,1263 1.687,1264 1.765,1265 0.925,1266 1.73,1267 1.46,1268 1.413,1269 1.645,1270 1.656,1271 0.825,1272 1.662,1273 1.353,1274 1.295,1275 1.598,1276 1.576,1277 0.72,1278 1.584,1279 1.222,1280 1.154,1281 1.513,1282 1.464,1283 0.689,1284 1.472,1285 4.466,1287 5.802,1288 2.398,1289 7.323,1290 4.727,1291 8.929,1292 6.862,1293 10.581,1295 8.366,1301 4.856,1303 6.053,1304 11.589,1307 2.346,1308 -0.17,1312 46.68,1313 112.148,1314 266.431,1315 348.22,1316 390.539,1317 402.803,1318 404.803,1319 68.386,1320 8.452,1321 80.65,1322 80.65,1323 29,1324 12.911,1325 4.585,1326 3.7,1327 61.501,1328 207,1329 229,1330 0.142,1331 284.925,1332 491.79,1333 686.977,1334 65902,1336 27.407,1337 0.703,1338 0.594,1339 27.407,1340 23.16,1341 18.775,1342 0.437,1343 0.314,1344 13.293,1345 18.05,1346 12.824,1347 10.687,1348 18.775,1349 13.481,1350 17.699,1351 0.29,1352 0.18,1353 17.699,1354 10.951,1355 13.957,1356 0.179,1357 0.088,1358 13.957,1359 6.899,1360 11.568,1361 0.113,1362 0.045,1363 11.568,1364 4.605,1365 9.739,1366 0.074,1367 0.024,1368 9.739,1369 3.204,1370 0.228,1371 117.51,1372 0.187,1373 35.501,1374 0.379,1375 208,1376 552.808,1377 227.848,1378 532.378,1379 740.08,1380 502,1381 243,1382 556.217,1383 263.768,1384 563.342,1385 824.66,1386 529,1387 5} {0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,119 43.6,121 2,122 1,125 1,142 5,143 1,144 6,158 1,168 1,172 6,175 2,178 1,180 3,183 5,187 1,188 4,193 6,196 3,200 2,203 1,204 1,205 4,208 3,213 2,216 1,218 1,221 5,225 3,230 1,233 7,239 4,244 4,247 7,253 3,258 2,261 3,266 1,271 1,274 2,278 1031,279 16.499,280 16.499,281 16.499,282 16.499,283 16.499,284 14.722,285 16.843,286 9.551,287 17.054,288 13.256,289 13.256,290 13.256,291 13.256,292 13.256,293 10.619,294 19.271,295 4.509,296 14.337,297 3.302,298 1.356,299 0.657,300 0.308,301 0.308,302 0.308,303 3.932,304 1,307 1,308 1,309 524,310 3.317,311 51.118,314 170.887,321 1.485,322 42.023,325 0.75,326 0.83,327 1,328 0.8,329 0.5,330 1,331 1,332 0.84,333 55.733,334 247,335 4.52,336 4.041,337 6.732,338 4.133,339 3.167,340 4.211,341 2.095,342 10.87,343 3.063,344 4.208,345 3.49,346 6.052,347 3.738,348 2.821,349 3.862,350 0.776,351 8.685,352 2.636,353 3.839,354 3.218,355 5.862,356 3.652,357 2.662,358 3.193,359 0.4,360 7.781,361 2.547,362 3.654,363 3.189,364 5.492,365 3.461,366 2.496,367 2.787,369 7.387,370 2.371,371 3.475,372 2.638,373 5.038,374 2.985,375 2.138,376 2.658,378 5.926,379 1.771,380 3.169,381 2.623,382 4.887,383 2.738,384 1.829,385 2.366,387 5.201,388 1.487,389 2.872,390 2.437,391 4.209,392 2.474,393 1.519,394 1.964,396 3.779,397 1.423,398 2.82,399 1.985,400 4.146,401 2.33,402 1.414,403 1.946,405 3.641,406 1.226,407 2.241,408 1.85,409 3.475,410 2.022,411 1.065,412 1.187,414 2.393,415 0.999,416 1.75,417 1.153,418 3.246,419 1.412,420 0.548,421 0.629,423 1.357,424 0.415,425 1.375,426 1.013,427 2.793,428 1.135,429 0.174,430 0.193,432 0.394,433 0.158,434 1.225,435 0.664,436 2.687,437 0.941,438 0.072,439 0.082,441 0.165,442 0.047,443 1.171,444 0.378,445 2.417,446 0.721,447 -0.199,448 -0.25,450 -0.481,451 -0.117,452 0.797,453 0.195,454 2.359,455 0.255,456 -0.514,457 -0.621,459 -1.242,460 -0.207,461 0.427,462 -0.151,463 2.114,464 0.223,465 -0.742,466 -0.817,468 -1.619,469 -0.623,470 12.895,471 0.516,472 0.72,473 0.029,474 29.75,475 1.19,476 14,477 0.56,478 15.75,479 0.63,480 22.959,481 0.918,482 26.705,483 0.685,484 21.203,485 0.848,486 5.645,487 0.226,488 6.307,489 0.252,490 0.253,492 0.349,495 2,497 0.58,498 0.846,499 0.467,500 0.56,501 0.516,502 0.716,503 0.758,504 1.038,505 0.575,506 0.692,507 0.609,508 0.911,509 0.816,510 0.989,511 0.951,512 0.953,513 0.752,514 0.933,515 1.243,516 0.96,517 0.713,518 0.725,519 1.133,520 0.79,521 1.27,522 0.935,523 0.351,524 0.491,525 1.313,526 0.702,527 1.042,528 1.118,529 0.598,530 0.728,531 1.132,532 0.838,533 1.249,534 1.123,535 0.595,536 0.71,537 1.459,538 0.976,539 1.157,540 1.085,541 1.055,542 1.051,543 1.182,544 1.055,545 5.5,546 0.09,547 3.611,548 1.91,549 1.623,550 0.976,551 0.691,552 0.441,553 0.261,554 0.148,555 6836,556 26239,557 2.015,558 35.9,559 4,560 7,563 2,565 1,568 1.685,569 1.852,570 3.247,571 0.352,576 1,578 77.341,579 1.983,580 3.93,581 4.629,582 4.978,583 4.978,584 4.978,585 2.713,586 4.484,587 4.61,588 3.422,589 1026.7,590 8.004,591 12430.5,596 206.131,597 1.516,598 4.555,599 0.204,600 0.008,601 0.103,602 0.05,603 0.048,604 0.029,605 0.019,606 0.014,607 0.011,608 0.009,609 0.495,610 0.33,611 0.75,612 0.65,613 119.967,614 0.003,615 0.042,616 -0.002,617 0.03,618 -0.014,619 0.043,620 -0.034,621 -0.177,622 0.009,623 -0.003,624 0.014,625 -0.066,626 0.148,627 -0.026,628 -0.043,629 -0.031,630 0.167,631 0.005,632 -0.151,633 0.005,634 0.059,635 0.106,636 -0.11,637 0.12,638 -0.1,639 0.097,640 0.009,641 0.06,642 -0.058,643 0.08,644 0.169,645 -0.015,646 -0.016,647 -0.013,648 0.153,649 0.01,650 -0.017,651 -0.032,652 -0.005,653 0.008,654 -0.085,655 -0.127,656 -0.131,657 -0.081,658 0.035,659 0.011,660 -0.157,661 -0.033,662 2.829,663 6.277,664 0.6,665 22.128,666 1.034,667 1.13,668 4.357,669 18.986,670 0.754,671 3.332,672 3.664,673 3.85,674 4.025,675 4.234,676 4.29,677 4.277,678 4.304,679 4.369,680 4.29,681 5.899,682 0.708,683 478.68,684 3.332,685 4.875,686 5.72,687 6.592,688 7.454,689 8.329,690 9.198,691 10.075,692 10.947,693 11.826,694 5.1,701 1,702 1,709 5,714 7,716 12,728 1,734 4,735 39,737 13,738 2,739 27,741 41,742 17,743 12,744 7,745 5,746 1,748 3,749 3,750 1,757 2,758 1,760 2,762 13,763 4,764 1,767 1,772 1,776 1,781 2,783 14,784 6,785 2,786 8,787 2,788 1,792 2,796 1,797 2,812 1,815 2,836 1,842 3,847 1,848 2,849 1,850 25,856 3,858 2,859 1,861 1,871 4,872 5.1,875 1,876 1,879 13.5,880 6.905,881 5.472,882 2.282,884 2.424,885 1.356,886 0.995,887 6.015,888 9.226,889 3.555,890 4.143,891 4.635,892 5.119,893 5.636,894 5.809,895 5.966,896 6.235,897 6.586,898 6.773,899 0.857,900 38,901 9.366,903 4.171,904 8.176,905 17.112,907 14.073,909 2.676,910 66.898,914 141.253,915 150.631,916 38.636,917 39.149,918 36.364,919 29.92,920 56.782,921 93.849,922 216.766,923 68.556,925 30.287,926 47.381,927 41.068,928 50.112,929 29.92,930 198.035,931 39.149,932 141.253,933 132.485,934 66.284,935 39.149,936 56.782,937 159.402,938 36.916,939 11.219,941 48.297,942 84.187,943 39.149,944 56.782,945 171.173,946 75,947 132.997,948 56.782,950 141.253,951 46.467,952 104.163,953 38.636,954 105.433,955 141.253,956 104.92,957 132.997,958 56.782,959 0.59,960 0.327,961 0.16,962 0.086,963 18,964 9,965 0.146,966 6,968 1,969 3.689,970 201.789,972 15,973 114.096,979 18.668,980 8.055,981 4.954,983 104.92,984 7.132,989 -1.033,991 38.636,992 435.952,993 34,998 12.261,1002 -0.663,1005 40.345,1006 44.081,1007 0.375,1008 0.744,1009 0.876,1010 0.942,1011 0.942,1012 0.942,1013 4.804,1014 1.414,1015 5.72,1016 3.779,1017 4.344,1018 4.828,1019 2.425,1020 6.526,1021 4.201,1022 6.027,1023 1.065,1024 7.292,1025 3.641,1026 4.111,1027 4.783,1029 7.493,1030 3.865,1031 7.346,1032 0.548,1033 8.964,1034 2.393,1035 5.964,1036 7.004,1037 3.697,1038 10.527,1039 5.74,1040 8.695,1041 0.174,1042 10.69,1043 1.357,1044 6.463,1045 7.7,1047 12.261,1048 6.162,1049 10.072,1050 0.072,1051 12.45,1052 0.394,1053 7.855,1054 9.477,1055 5.14,1056 14.869,1057 7.563,1058 11.468,1059 -0.199,1060 14.234,1061 0.165,1062 8.679,1063 10.52,1065 16.941,1066 8.328,1067 12.88,1068 -0.514,1069 16.036,1070 -0.481,1071 9.898,1072 12.113,1073 6.612,1074 19.4,1075 9.54,1076 3.167,1077 -0.742,1078 17.852,1079 -1.242,1080 10.876,1081 13.332,1083 21.633,1084 10.471,1085 2.821,1086 10.87,1087 19.679,1088 -1.619,1089 12.028,1090 14.839,1091 8.09,1092 24.038,1093 11.606,1094 2.662,1095 8.685,1096 21.516,1097 4.211,1098 13.08,1099 16.152,1101 26.348,1102 12.619,1103 2.496,1104 7.781,1105 23.362,1106 3.862,1107 14.21,1108 17.615,1109 9.57,1110 28.735,1111 13.726,1112 2.138,1113 7.387,1114 25.215,1115 3.193,1116 15.3,1117 18.978,1119 31.082,1120 14.782,1121 1.829,1122 5.926,1123 27.074,1124 2.787,1125 16.425,1126 20.421,1127 11.049,1128 33.464,1129 15.882,1130 1.519,1131 5.201,1132 28.938,1133 2.658,1134 17.536,1135 21.811,1137 35.83,1138 16.961,1139 6676,1140 13255,1141 17.512,1142 29.404,1143 40.142,1144 44.575,1145 41.981,1146 40.177,1147 39.811,1148 50.157,1149 6.542,1150 115.158,1151 36.289,1152 5.489,1153 6.041,1154 6.296,1155 5.183,1156 5.167,1157 7.211,1158 4.191,1159 18.175,1160 5.063,1161 13.855,1162 1.487,1163 1.651,1164 1.555,1165 1.488,1166 1.474,1167 1.858,1168 0.242,1169 4.265,1170 1.344,1171 4.002,1172 4.027,1173 10.695,1174 4.034,1175 8.239,1176 3.925,1177 3.897,1178 3.945,1179 4.017,1180 3.851,1181 8.161,1182 3.8,1183 3.841,1184 3.858,1185 3.88,1186 3.788,1187 7.429,1188 3.775,1189 3.395,1190 3.426,1191 3.768,1192 3.381,1193 4.937,1194 3.15,1195 3.093,1196 3.156,1197 3.361,1198 3.089,1199 4.681,1200 2.986,1201 2.991,1202 3.04,1203 3.249,1204 2.796,1205 4.487,1206 2.77,1207 2.879,1208 2.922,1209 2.945,1210 2.768,1211 4.32,1212 2.735,1213 2.794,1214 2.844,1215 2.872,1216 2.716,1217 4.161,1218 2.678,1219 0.167,1220 0.15,1221 0.249,1222 0.153,1223 0.117,1224 4.52,1225 0.156,1226 4.041,1227 0.078,1228 6.732,1229 0.403,1230 4.133,1231 0.113,1232 3.167,1233 4.211,1234 2.095,1235 10.87,1236 3.063,1237 1.93,1238 1.912,1239 1.975,1240 2.036,1241 1.118,1242 2.022,1243 1.823,1244 1.809,1245 1.866,1246 1.883,1247 1.031,1248 1.896,1249 1.429,1250 1.379,1251 1.676,1252 1.699,1253 1.015,1254 1.68,1255 1.153,1256 1.123,1257 1.513,1258 1.425,1259 0.825,1260 1.429,1261 1.147,1262 1.064,1263 1.26,1264 1.376,1265 0.284,1266 1.385,1267 1.028,1268 0.979,1269 1.163,1270 1.232,1271 0.252,1272 1.234,1273 0.868,1274 0.824,1275 1.093,1276 1.016,1277 0.17,1278 1.059,1279 0.735,1280 0.702,1281 1.006,1282 0.995,1283 0.134,1284 0.973,1285 4.007,1286 1.946,1287 5.333,1288 3.714,1289 6.849,1290 5.416,1291 8.454,1292 7.086,1293 10.105,1296 6.12,1297 27.921,1298 2.081,1301 2.541,1303 4.968,1304 5.118,1306 0.452,1312 27.598,1313 77.341,1314 153.26,1315 180.521,1316 194.131,1317 194.131,1318 194.131,1319 67.312,1320 6.802,1321 50.36,1322 50.36,1323 15,1324 12.364,1325 3.807,1326 3,1327 41.529,1328 83,1329 98,1330 0.234,1331 181.063,1332 317.51,1333 433.555,1334 7431,1335 10.3,1336 17.974,1337 0.719,1338 0.633,1339 18.234,1340 15.827,1341 11.952,1342 0.443,1343 0.335,1344 7.543,1345 10.41,1346 7.35,1347 6.016,1348 12.286,1349 9.033,1350 10.984,1351 0.289,1352 0.194,1353 11.547,1354 7.371,1355 8.673,1356 0.189,1357 0.096,1358 8.734,1359 4.406,1360 6.499,1361 0.118,1362 0.053,1363 7.314,1364 2.937,1365 5.021,1366 0.074,1367 0.026,1368 5.349,1369 1.741,1370 0.36,1371 92.629,1372 0.239,1373 24.228,1374 0.661,1375 130,1376 542.211,1377 310.958,1378 536.301,1379 679.55,1380 494,1381 152,1382 425.256,1383 229.623,1384 439.453,1385 642.94,1386 412,1387 5} {0 CHEMBL1081312,1 1.489,2 7.958,3 2.304,4 5.309,5 92.691,6 7.79,7 0.714,8 3.866,9 4.003,10 3.491,11 3.399,12 4.96,13 3.4,14 4.407,15 4.584,16 3.888,17 3.84,18 5.44,19 3.815,20 4.643,21 4.878,22 3.879,23 3.889,24 5.601,25 3.835,26 4.61,27 4.859,28 3.871,29 3.839,30 5.648,31 3.801,32 4.502,33 4.713,34 3.767,35 3.819,36 5.509,37 3.769,38 4.489,39 4.694,40 3.756,41 3.813,42 5.553,43 3.754,44 4.569,45 4.813,46 3.609,47 3.763,48 5.529,49 3.667,50 4.503,51 4.8,52 3.246,53 3.543,54 5.388,55 3.395,56 0.062,57 0.723,58 7.957,59 3.144,60 8.736,61 4.265,62 0.179,63 1.171,64 15.127,65 5.744,66 16.883,67 7.983,68 0.198,69 1.331,70 21.872,71 7.058,72 23.12,73 10.536,74 0.403,75 1.29,76 21.926,77 6.297,78 35.715,79 9.404,80 0.221,81 1.2,82 17.915,83 5.727,84 23.036,85 8.266,86 0.248,87 1.192,88 17.375,89 5.998,90 29.147,91 8.497,92 0.221,93 1.181,94 20.587,95 6.635,96 28.31,97 9.852,98 0.339,99 0.99,100 21.629,101 6.355,102 36.932,103 9.737,104 2,105 41,106 0.257,107 0.658,108 0.792,109 0.834,110 0.834,111 0.834,112 3.231,113 0.882,114 -4.58,115 -4.5,116 -4.23,119 41.5,121 4,127 1,142 2,143 3,145 1,146 1,147 1,148 1,151 1,161 2,163 1,164 1,165 1,166 1,172 6,174 2,175 9,177 1,178 2,180 3,183 6,185 1,187 1,188 8,193 1,196 2,199 3,200 9,202 3,203 3,205 2,208 3,210 1,212 1,213 6,218 1,221 5,223 1,224 2,225 5,227 1,228 2,230 4,233 4,235 3,239 6,242 1,244 3,247 4,249 3,253 2,256 2,257 1,260 1,261 4,271 2,274 2,278 760,279 16.792,280 16.792,281 16.792,282 16.792,283 16.792,284 14.548,285 9.487,286 9.779,287 17.155,288 13.858,289 13.858,290 13.858,291 13.858,292 13.858,293 10.422,294 7.5,295 4.637,296 14.457,297 3.869,298 1.552,299 0.78,300 0.537,301 0.537,302 0.537,303 3.945,306 1,307 1,308 1,309 437,310 2.121,313 139.283,314 102.98,317 160.199,321 1.135,322 17.774,323 1,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 51.5,334 191,335 4.766,336 3.389,337 7.051,338 4.312,339 3.349,340 4.738,342 12.147,343 3.227,344 4.415,345 2.95,346 6.293,347 3.903,348 2.936,349 4.353,351 9.503,352 2.839,353 3.904,354 2.766,355 6.145,356 3.644,357 2.677,358 3.312,360 8.961,361 2.587,362 3.761,363 2.405,364 5.751,365 3.342,366 2.38,367 3.198,369 7.634,370 2.29,371 3.239,372 2.038,373 5.079,374 2.949,375 1.996,376 2.366,378 5.69,379 1.899,380 3.051,381 1.552,382 4.519,383 2.488,384 1.552,385 2.322,387 4.384,388 1.451,389 3.033,390 1.533,391 4.333,392 2.479,393 1.533,394 2.3,396 4.052,397 1.445,398 2.654,399 1.41,400 4.234,401 2.308,402 1.345,403 1.72,405 3.529,406 1.292,407 2.601,408 1.154,409 3.672,410 2.091,411 1.151,412 1.636,414 2.661,415 1.08,416 2.411,417 0.973,418 3.431,419 1.918,420 0.966,421 1.376,423 2.308,424 0.917,425 1.911,426 0.702,427 3.248,428 1.659,429 0.683,430 0.792,432 1.74,433 0.666,434 1.837,435 0.618,436 3.036,437 1.618,438 0.618,439 0.618,441 1.372,442 0.618,443 1.618,444 0.4,445 3,446 1.339,447 0.395,448 0.584,450 0.983,451 0.372,452 1.061,453 -0.153,454 2.652,455 0.629,456 -0.286,457 -0.364,459 -0.672,460 -0.261,461 0.846,462 -0.589,463 2.461,464 0.372,465 -0.59,466 -0.817,468 -1.644,469 -0.565,470 11.3,471 0.471,472 0.534,473 0.022,474 33.5,475 1.396,476 16.5,477 0.688,478 17,479 0.708,480 18.11,481 0.755,482 24.7,483 0.602,484 21.894,485 0.912,486 6.092,487 0.254,488 5.718,489 0.238,490 0.035,492 0.389,497 0.935,498 1.279,499 0.738,500 0.979,501 0.944,502 0.853,503 0.768,504 1.116,505 0.802,506 1.013,507 0.598,508 0.931,509 0.966,510 1.255,511 0.864,512 1.058,513 0.697,514 0.964,515 1.1,516 0.771,517 0.857,518 0.688,519 0.983,520 0.726,521 1.284,522 1.116,523 1.114,524 1.034,525 1.151,526 1.044,527 1.031,528 1.085,529 1.133,530 1.152,531 1.299,532 1.158,533 1.082,534 1.19,535 1.148,536 1.206,537 1.356,538 1.191,539 1.052,540 0.785,541 1.138,542 0.96,543 1.288,544 1.045,545 3.5,547 2.889,548 1.764,549 1.522,550 0.716,551 0.469,552 0.348,553 0.148,554 0.047,555 6351,556 14821,557 2.262,558 41.5,559 4,560 3,561 1,562 2,563 3,565 4,568 1.676,569 2.182,570 3.02,571 1.039,572 1,573 1,575 1,578 61.034,579 1.489,580 3.805,581 4.577,582 4.821,583 4.821,584 4.821,585 2.44,586 4.22,587 4.558,588 3.145,589 868.043,590 7.902,591 9735.16,592 1,593 1,595 1,596 219.66,597 1.175,598 4.543,599 0.125,601 0.07,602 0.045,603 0.039,604 0.02,605 0.014,606 0.012,607 0.008,608 0.005,609 0.339,610 0.33,611 0.88,612 0.382,613 110.695,614 -0.028,615 -0.089,616 0.063,617 0.013,618 -0.035,619 0.046,620 0.148,621 -0.005,622 0.061,623 -0.022,624 0.177,626 0.002,627 -0.269,628 0.1,629 -0.082,630 0.158,631 0.006,632 0.078,633 0.247,634 0.138,635 0.235,636 0.112,637 0.203,638 -0.244,639 -0.048,640 -0.197,641 -0.082,642 -0.182,643 -0.124,644 -0.029,645 -0.013,646 -0.229,647 -0.191,648 -0.131,649 -0.233,650 -0.118,651 -0.221,652 -0.178,653 -0.233,654 -0.218,655 -0.218,656 -0.026,657 0.091,658 -0.077,659 0.002,660 -0.108,661 -0.037,662 1.201,663 2.168,664 0.958,665 17.167,666 1.003,667 1.136,668 3.347,669 11.2,670 0.679,671 3.367,672 3.738,673 4.111,674 4.466,675 4.682,676 4.883,677 5.081,678 5.268,679 5.328,680 5.384,681 5.036,682 0.653,683 319.41,684 3.367,685 4.934,686 5.832,687 6.746,688 7.662,689 8.584,690 9.507,691 10.433,692 11.359,693 12.288,694 17.1,698 1,702 2,704 4,708 4,709 5,710 4,711 1,714 3,715 1,716 20,727 1,735 41,737 20,739 28,741 45,742 17,743 12,748 5,749 7,757 5,760 5,762 12,763 5,779 1,780 1,783 17,784 5,785 3,786 7,792 7,796 0.6,806 1,808 1,809 1,810 1,814 3,815 2,818 2,842 3,850 24,851 1,856 4,861 1,879 11,880 7.333,881 5.111,882 2.626,884 3.983,885 1.515,886 1.081,887 3.068,888 11.719,889 3.664,890 4.363,891 5.091,892 5.796,893 6.355,894 6.837,895 7.362,896 7.89,897 8.22,898 8.651,899 1,900 39,901 8.85,903 3.92,904 7.563,905 17.239,907 15.011,909 2.063,910 49.5,913 1,914 164.795,915 72.651,916 118.479,921 72.651,922 164.795,923 118.479,925 10.138,926 60.897,927 93.992,928 47.316,929 14.099,930 129.482,932 164.795,933 191.13,937 117.711,938 47.084,941 52.554,942 71.557,943 67.02,945 164.795,946 118.479,947 72.651,950 164.795,951 26.985,952 47.442,953 16.786,954 99.917,955 164.795,956 118.479,957 72.651,959 0.589,960 0.362,961 0.212,962 0.108,963 24,964 9,965 0.044,966 2,967 2,968 1.174,969 3.633,970 219.375,971 0.174,972 23,973 106.039,979 13.937,980 5.283,981 2.139,982 3.55,983 99.917,984 9.302,985 17.992,986 3.111,989 2.212,990 2.039,991 49.683,992 355.925,993 38,1005 41.131,1006 46.564,1007 0.278,1008 0.71,1009 0.854,1010 0.9,1011 0.9,1012 0.9,1013 4.913,1014 1.345,1015 5.826,1016 4.052,1017 4.419,1018 5.05,1020 6.706,1021 4.338,1022 6.145,1023 1.151,1024 7.419,1025 3.529,1026 4.007,1027 4.956,1029 7.722,1030 3.897,1031 7.481,1032 0.966,1033 9.116,1034 2.661,1035 6.066,1036 7.401,1038 10.895,1039 5.914,1040 8.863,1041 0.683,1042 10.877,1043 2.308,1044 6.553,1045 8.224,1047 12.785,1048 6.372,1049 10.282,1050 0.618,1051 12.678,1052 1.74,1053 8.038,1054 10.1,1056 15.47,1057 7.816,1058 11.728,1059 0.395,1060 14.509,1061 1.372,1062 8.916,1063 11.326,1065 17.706,1066 8.663,1067 13.194,1068 -0.286,1069 16.359,1070 0.983,1071 10.195,1072 12.989,1074 20.243,1075 9.903,1076 3.349,1077 -0.59,1078 18.225,1079 -0.672,1080 11.245,1081 14.392,1083 22.624,1084 10.919,1085 2.936,1086 12.147,1087 20.102,1088 -1.644,1089 12.454,1090 15.973,1092 25.12,1093 12.09,1094 2.677,1095 9.503,1096 21.99,1097 4.738,1098 13.579,1099 17.452,1101 27.562,1102 13.179,1103 2.38,1104 8.961,1105 23.885,1106 4.353,1107 14.768,1108 19.004,1110 30.05,1111 14.33,1112 1.996,1113 7.634,1114 25.787,1115 3.312,1116 15.928,1117 20.516,1119 32.52,1120 15.454,1121 1.552,1122 5.69,1123 27.695,1124 3.198,1125 17.114,1126 22.058,1128 35.008,1129 16.602,1130 1.533,1131 4.384,1132 29.608,1133 2.366,1134 18.292,1135 23.586,1137 37.491,1138 17.743,1139 5770,1140 8972,1141 19.592,1142 27.847,1143 43.113,1144 43.039,1145 43.439,1146 43.217,1147 43.162,1148 58.631,1150 129.925,1151 41.363,1152 5.668,1153 5.389,1154 6.646,1155 5.387,1156 5.349,1157 7.738,1159 19.687,1160 5.201,1161 5.845,1162 1.54,1163 1.537,1164 1.551,1165 1.543,1166 1.541,1167 2.094,1169 4.64,1170 1.477,1171 4.173,1172 4.219,1173 4.149,1174 4.042,1175 5.26,1176 4.062,1177 4.024,1178 4.075,1179 3.987,1180 3.873,1181 5.058,1182 3.895,1183 3.793,1184 3.851,1185 3.667,1186 3.677,1187 4.848,1188 3.669,1189 3.413,1190 3.477,1191 3.35,1192 3.256,1193 4.517,1194 3.27,1195 3.219,1196 3.31,1197 3.135,1198 2.938,1199 4.312,1200 2.979,1201 2.976,1202 3.082,1203 2.869,1204 2.72,1205 4.158,1206 2.744,1207 2.869,1208 2.979,1209 2.746,1210 2.671,1211 3.866,1212 2.642,1213 2.852,1214 2.937,1215 2.583,1216 2.619,1217 3.664,1218 2.635,1219 0.17,1220 0.121,1221 0.252,1222 0.154,1223 0.12,1224 4.766,1225 0.169,1226 3.389,1228 7.051,1229 0.434,1230 4.312,1231 0.115,1232 3.349,1233 4.738,1235 12.147,1236 3.227,1237 1.924,1238 1.898,1239 1.976,1240 2.041,1241 1.243,1242 2.021,1243 1.789,1244 1.743,1245 1.888,1246 1.985,1247 1.211,1248 1.955,1249 1.59,1250 1.532,1251 1.86,1252 1.791,1253 1.107,1254 1.793,1255 1.577,1256 1.507,1257 1.746,1258 1.751,1259 0.852,1260 1.78,1261 1.464,1262 1.396,1263 1.639,1264 1.691,1265 0.611,1266 1.686,1267 1.179,1268 1.126,1269 1.286,1270 1.392,1271 0.364,1272 1.372,1273 0.913,1274 0.819,1275 1.179,1276 1.245,1277 0.125,1278 1.237,1279 0.769,1280 0.695,1281 0.998,1282 1.083,1283 0.094,1284 1.07,1285 4.043,1287 5.398,1288 3.434,1289 6.948,1290 5.733,1291 8.592,1292 7.803,1293 10.289,1299 6.168,1301 4.738,1306 0.388,1312 26.784,1313 61.034,1314 156.011,1315 187.66,1316 197.66,1317 197.66,1318 197.66,1319 27.997,1320 7.736,1321 98.3,1322 98.3,1323 27,1324 12.792,1325 4.392,1326 3.459,1327 30.081,1328 71,1329 66,1330 0.208,1331 161.014,1332 253.14,1333 384.635,1334 22600,1336 16.096,1337 0.671,1338 0.546,1339 16.096,1340 13.106,1341 11.81,1342 0.422,1343 0.294,1344 8.12,1345 11.361,1346 8.011,1347 6.597,1348 11.81,1349 8.233,1350 10.782,1351 0.263,1352 0.154,1353 10.782,1354 6.328,1355 9.878,1356 0.165,1357 0.081,1358 9.878,1359 4.862,1360 8.93,1361 0.104,1362 0.043,1363 8.93,1364 3.67,1365 6.856,1366 0.064,1367 0.02,1368 6.856,1369 2.11,1370 0.312,1371 73.909,1372 0.226,1373 22.753,1374 0.622,1375 138,1376 353.871,1377 150.933,1378 351.69,1379 506.05,1380 332,1381 170,1382 403.73,1383 184.793,1384 407.791,1385 606.58,1386 386,1387 5.3} {0 CHEMBL1082440,1 1.636,2 7.182,3 1.577,4 2.486,5 87.781,6 7.43,7 0.458,8 3.852,9 3.966,10 3.602,11 3.427,12 4.807,13 3.36,14 4.444,15 4.629,16 3.909,17 3.84,18 5.605,19 3.754,20 4.74,21 4.939,22 4.135,23 4.105,24 5.724,25 3.985,26 4.931,27 5.139,28 4.141,29 4.152,30 6.034,31 4.013,32 4.902,33 5.105,34 3.92,35 4.008,36 6.155,37 3.895,38 4.751,39 5.001,40 3.491,41 3.806,42 5.851,43 3.678,44 4.467,45 4.708,46 3.283,47 3.746,48 5.21,49 3.568,50 4.555,51 4.858,52 2.916,53 3.575,54 5.252,55 3.325,56 0.072,57 0.669,58 12.495,59 4.37,60 14.089,61 5.588,62 0.33,63 1.088,64 20.456,65 7.238,66 46.522,67 9.593,68 0.202,69 1.439,70 31.894,71 11.065,72 30.048,73 13.579,74 0.406,75 1.578,76 42.807,77 13.116,78 67.944,79 15.481,80 0.562,81 1.403,82 40.448,83 12.051,84 106.788,85 14.446,86 0.629,87 1.151,88 28.436,89 8.975,90 97.933,91 12.306,92 0.057,93 1.01,94 18.731,95 8.121,96 16.046,97 11.726,98 0.132,99 1,100 22.632,101 8.108,102 27.377,103 12.214,104 17,105 35,106 0.286,107 0.601,108 0.804,109 0.87,110 0.87,111 0.87,112 3.149,113 1.127,114 -2.43,115 -2.46,116 -2.41,119 37.2,120 2,121 1,125 3,127 1,142 3,143 3,144 1,145 2,172 6,174 3,175 4,180 1,183 6,188 9,191 1,193 1,196 5,200 14,208 4,213 7,216 2,221 5,224 3,230 2,233 6,244 3,247 4,253 2,258 2,269 1,278 574,279 14.584,280 14.584,281 14.584,282 14.584,283 14.584,284 13.012,285 17.457,286 8.514,287 14.907,288 11.818,289 11.818,290 11.818,291 11.818,292 11.818,293 9.392,294 25.392,295 3.973,296 12.346,297 3.791,298 1.994,299 0.832,300 0.454,301 0.454,302 0.454,303 3.824,306 1,307 1,308 1,309 336,310 3,314 98.279,315 70.95,318 84.434,321 1.017,322 28.663,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 47.5,334 158,335 5.006,336 4.751,337 7.789,338 4.525,339 3.595,340 4.908,341 0.4,342 14.252,343 3.325,344 4.425,345 3.07,346 6.668,347 3.971,348 2.984,349 4.265,350 0.4,351 10.52,352 2.94,353 3.53,354 2.794,355 5.823,356 3.343,357 2.399,358 2.851,360 7.446,361 2.251,362 3.447,363 2.142,364 5.046,365 3.011,366 2.015,367 2.682,369 5.706,370 2.007,371 3.175,372 1.907,373 4.825,374 2.686,375 1.717,376 2.373,378 4.755,379 1.662,380 2.769,381 1.692,382 4.075,383 2.557,384 1.585,385 1.902,387 3.392,388 1.539,389 2.589,390 1.516,391 3.827,392 2.252,393 1.321,394 1.589,396 3.165,397 1.241,398 2.49,399 1.275,400 3.706,401 2.243,402 1.268,403 1.485,405 2.957,406 1.218,407 2.361,408 1.096,409 3.459,410 1.935,411 0.97,412 1.307,414 2.293,415 0.932,416 1.188,417 0.373,418 3,419 1.089,420 0.13,421 0.134,423 0.292,424 0.124,425 1.18,426 0.157,427 2.623,428 0.76,429 -0.213,430 -0.28,432 -0.49,433 -0.207,434 1,435 -0.032,436 2.432,437 0.678,438 -0.277,439 -0.285,441 -0.643,442 -0.263,443 0.965,444 -0.119,445 2.35,446 0.464,447 -0.503,448 -0.716,450 -1.427,451 -0.48,452 0.75,453 -0.646,454 2.272,455 0.231,456 -0.738,457 -1.052,459 -1.77,460 -0.707,461 0.701,462 -0.963,463 2,465 -1,466 -1.097,468 -2.475,469 -1,470 10.7,471 0.486,472 0.657,473 0.03,474 27,475 1.227,476 13,477 0.591,478 14,479 0.636,480 19.532,481 0.888,482 24.7,483 0.574,484 19.584,485 0.89,486 4.942,487 0.225,488 5.573,489 0.253,490 0.156,491 0.078,492 0.271,497 0.517,498 1.483,499 0.863,500 1.321,501 0.642,502 1.051,503 0.711,504 0.999,505 0.809,506 0.829,507 0.539,508 0.865,509 0.902,510 1.08,511 1.133,512 1.122,513 0.737,514 0.951,515 1.508,516 1.073,517 1.445,518 1.267,519 1.522,520 1.035,521 1.802,522 1.15,523 1.441,524 1.304,525 2.132,526 1.11,527 1.637,528 0.639,529 0.866,530 0.614,531 1.904,532 0.884,533 0.229,534 1.23,535 0.766,536 1.121,537 0.148,538 1.318,539 0.322,540 1.211,541 0.761,542 1.058,543 0.195,544 1.254,545 4.5,547 3.556,548 2.875,549 1.764,550 0.851,551 0.428,552 0.183,553 0.09,554 0.007,555 4109,556 10220,557 2.032,558 48.8,559 3,560 10,562 2,563 1,565 3,566 2,568 1.654,569 1.872,570 2.853,571 -0.265,572 1,573 1,575 1,578 70.336,579 1.636,580 3.433,581 4.594,582 4.973,583 4.973,584 4.973,585 2.204,586 3.754,587 4.437,588 2.953,589 682.077,590 7.667,591 7175.9,593 1,595 1,596 233.329,597 1.661,598 4.366,599 0.188,601 0.102,602 0.068,603 0.045,604 0.025,605 0.018,606 0.009,607 0.008,608 0.003,609 0.466,610 0.5,611 1,612 0.65,613 97.41,614 0.138,615 -0.216,616 0.248,617 -0.098,618 -0.128,619 0.013,620 0.231,621 0.144,622 0.137,623 0.166,624 0.248,625 0.108,626 -0.021,627 0.043,628 0.058,629 0.043,630 0.034,631 0.068,632 -0.184,633 -0.023,634 -0.115,635 -0.069,636 -0.073,637 -0.042,638 -0.148,639 -0.192,640 -0.245,641 -0.213,642 -0.121,643 -0.15,644 -0.192,645 0.229,646 -0.118,647 0.158,648 -0.232,649 0.022,650 0.048,651 -0.28,652 -0.141,653 -0.258,654 0.015,655 -0.29,656 0.066,657 -0.347,658 -0.076,659 -0.258,660 0.019,661 -0.27,662 4.435,663 6.194,664 0.773,665 12.818,666 1,667 1.13,668 1.196,669 1.43,670 0.661,671 3.219,672 3.584,673 3.892,674 4.174,675 4.369,676 4.394,677 4.419,678 4.431,679 4.477,680 4.317,681 4.523,682 0.614,683 319.47,684 3.219,685 4.779,686 5.652,687 6.564,688 7.46,689 8.378,690 9.283,691 10.204,692 11.113,693 12.035,694 7,696 1,697 1,704 1,708 2,709 5,710 1,714 2,716 11,735 43,737 13,738 1,739 24,741 45,742 16,743 9,744 3,745 3,748 3,749 4,754 2,757 2,760 2,762 9,763 7,767 2,770 1,772 2,779 1,780 1,783 21,784 5,785 1,786 6,787 1,792 3,796 0.667,797 2,808 1,815 2,816 1,819 1,837 1,842 2,844 1,846 2,850 22,854 1,856 4,858 1,861 1,862 1,872 4.7,875 2,879 11.75,880 8.15,881 4.778,882 2.674,884 2.413,885 1.352,886 0.986,887 4.175,888 9.277,889 3.481,890 4.135,891 4.721,892 5.335,893 5.889,894 6.135,895 6.517,896 6.815,897 7.161,898 6.995,899 0.8,900 42,901 8.43,903 3.852,904 7.792,905 15.897,907 13.568,909 2.292,910 50.417,914 235.422,915 88.715,916 36.315,918 44.313,920 5.807,921 82.908,922 279.735,923 36.315,924 17.65,925 8.852,926 52.247,927 84.641,928 29.496,930 211.88,932 235.422,933 119.223,934 44.313,935 5.807,937 176.567,938 103.168,941 64.126,942 38.311,943 22.593,945 235.422,946 80.628,947 88.715,949 5.807,950 235.422,951 18.734,952 65.693,953 18.011,954 61.098,955 235.422,956 80.628,957 88.715,959 0.591,960 0.361,961 0.203,962 0.108,963 18,964 8,965 0.044,966 2,967 1,968 1.118,969 3.192,970 183.379,971 0.118,972 17,973 92.107,978 1,979 15.417,980 5.958,981 2.777,982 1.642,983 80.628,984 8.831,985 4.16,989 1.274,991 18.011,992 404.765,993 31.5,996 -3.518,998 26.389,1005 42.989,1006 48.571,1007 0.301,1008 0.633,1009 0.847,1010 0.916,1011 0.916,1012 0.916,1013 4.743,1014 1.268,1015 5.694,1016 3.165,1017 4.263,1018 4.82,1019 0.495,1020 6.627,1021 4.175,1022 5.994,1023 0.97,1024 7.34,1025 2.957,1026 4.111,1027 5.027,1029 8.023,1030 3.952,1031 7.373,1032 0.13,1033 9.116,1034 2.293,1035 6.009,1036 7.23,1037 0.097,1038 11.168,1039 5.809,1040 8.803,1041 -0.213,1042 10.973,1043 0.292,1044 6.711,1045 8.281,1047 13.401,1048 6.418,1049 10.277,1050 -0.277,1051 12.882,1052 -0.49,1053 8.155,1054 10.053,1055 0.016,1056 16.178,1057 7.814,1058 11.782,1059 -0.503,1060 14.826,1061 -0.643,1062 9.207,1063 11.426,1065 18.684,1066 8.771,1067 13.311,1068 -0.738,1069 16.795,1070 -1.427,1071 10.513,1072 13.061,1073 0.003,1074 21.367,1075 10.015,1076 3.595,1077 -1,1078 18.782,1079 -1.77,1080 11.698,1081 14.555,1083 23.966,1084 11.109,1085 2.984,1086 14.252,1087 20.782,1088 -2.475,1089 12.968,1090 16.147,1092 26.625,1093 12.305,1094 2.399,1095 10.52,1096 22.792,1097 4.908,1098 14.203,1099 17.688,1101 29.257,1102 13.453,1103 2.015,1104 7.446,1105 24.81,1106 4.265,1107 15.467,1108 19.267,1110 31.912,1111 14.637,1112 1.717,1113 5.706,1114 26.834,1115 2.851,1116 16.723,1117 20.828,1119 34.558,1120 15.807,1121 1.585,1122 4.755,1123 28.864,1124 2.682,1125 17.99,1126 22.405,1128 37.212,1129 16.991,1130 1.321,1131 3.392,1132 30.897,1133 2.373,1134 19.255,1135 23.976,1137 39.864,1138 18.17,1139 4072,1140 6560,1141 15.603,1142 28.426,1143 35.958,1144 36.872,1145 38.106,1146 35.971,1147 35.969,1148 46.99,1149 1.6,1150 109.556,1151 34.476,1152 5.957,1153 6.751,1154 7.544,1155 5.603,1156 5.595,1157 7.908,1158 0.8,1159 22.854,1160 5.325,1161 10.621,1162 1.498,1163 1.536,1164 1.588,1165 1.499,1166 1.499,1167 1.958,1168 0.067,1169 4.565,1170 1.437,1171 4.173,1172 4.169,1173 4.749,1174 4.154,1175 7.715,1176 4.101,1177 3.886,1178 3.927,1179 3.951,1180 3.778,1181 6.999,1182 3.734,1183 3.632,1184 3.641,1185 3.61,1186 3.504,1187 4.957,1188 3.46,1189 3.424,1190 3.479,1191 3.332,1192 3.32,1193 4.43,1194 3.298,1195 3.38,1196 3.45,1197 3.176,1198 3.236,1199 4.384,1200 3.209,1201 3.129,1202 3.22,1203 2.979,1204 2.948,1205 3.983,1206 2.939,1207 3.055,1208 3.142,1209 2.881,1210 2.799,1211 3.907,1212 2.788,1213 2.733,1214 2.852,1215 2.509,1216 2.516,1217 3.742,1218 2.492,1219 0.209,1220 0.198,1221 0.325,1222 0.189,1223 0.15,1224 5.006,1225 0.204,1226 4.751,1227 0.017,1228 7.789,1229 0.594,1230 4.525,1231 0.139,1232 3.595,1233 4.908,1234 0.4,1235 14.252,1236 3.325,1237 2.091,1238 2.089,1239 2.12,1240 2.148,1241 1.361,1242 2.168,1243 1.738,1244 1.718,1245 1.896,1246 1.915,1247 1.216,1248 1.936,1249 1.631,1250 1.554,1251 1.888,1252 1.853,1253 1.174,1254 1.872,1255 1.483,1256 1.439,1257 1.691,1258 1.633,1259 0.781,1260 1.665,1261 1.326,1262 1.321,1263 1.435,1264 1.476,1265 0.624,1266 1.528,1267 1.086,1268 1.018,1269 1.409,1270 1.337,1271 0.536,1272 1.373,1273 1.007,1274 0.895,1275 1.172,1276 1.29,1277 0.399,1278 1.329,1279 0.708,1280 0.619,1281 1.105,1282 0.982,1283 0.344,1284 1.044,1285 3.892,1287 5.242,1289 6.804,1290 2.708,1291 8.471,1292 5.094,1293 10.196,1295 3.858,1301 2.922,1303 3.283,1306 -0.051,1307 1.627,1312 26.422,1313 70.336,1314 147.607,1315 197.555,1316 213.82,1317 213.82,1318 213.82,1319 46.67,1320 6.864,1321 62.3,1322 70.68,1323 19,1324 12.545,1325 3.807,1326 3.087,1327 34.076,1328 59,1329 50,1330 0.293,1331 166.937,1332 282.37,1333 399.086,1334 7764,1336 15.742,1337 0.716,1338 0.624,1339 15.992,1340 13.728,1341 10.515,1342 0.438,1343 0.376,1344 7.607,1345 9.41,1346 7.241,1347 6.028,1348 11.304,1349 9.015,1350 9.826,1351 0.281,1352 0.22,1353 11.108,1354 7.692,1355 8.263,1356 0.172,1357 0.13,1358 9.602,1359 6.241,1360 7.147,1361 0.112,1362 0.078,1363 8.565,1364 5.021,1365 5.574,1366 0.071,1367 0.044,1368 6.783,1369 3.466,1370 0.43,1371 73.491,1372 0.253,1373 20.831,1374 0.901,1375 118,1376 325.955,1377 167.718,1378 336.662,1379 459.78,1380 310,1381 142,1382 311.625,1383 203.207,1384 354.758,1385 522.04,1386 332,1387 5.9} {0 CHEMBL1084546,1 2.002,2 12.6,3 3.111,4 9.678,5 125.221,6 9.228,7 0.474,8 4.149,9 4.255,10 3.99,11 3.651,12 5.359,13 3.667,14 4.704,15 4.855,16 4.362,17 4.024,18 6.412,19 4.039,20 4.88,21 5.041,22 4.333,23 4.128,24 6.214,25 4.132,26 4.996,27 5.202,28 4.37,29 4.122,30 6.476,31 4.104,32 4.942,33 5.154,34 4.237,35 4.101,36 6.192,37 4.067,38 4.961,39 5.186,40 4.17,41 4.037,42 6.312,43 4.009,44 4.841,45 5.061,46 4.216,47 3.971,48 6.151,49 3.981,50 4.804,51 4.988,52 4.381,53 3.967,54 6.417,55 4.004,56 0.3,57 1.116,58 9.7,59 4.813,60 46.73,61 4.839,62 1.24,63 2.018,64 21.456,65 8.37,66 185.089,67 8.88,68 0.961,69 1.881,70 24.984,71 9.247,72 127.495,73 9.892,74 1.523,75 2.036,76 28.937,77 9.548,78 160.785,79 11.319,80 1.09,81 1.855,82 33.221,83 10.813,84 143.801,85 12.56,86 1.497,87 1.812,88 34.095,89 10.189,90 182.529,91 12.01,92 1.095,93 1.864,94 27.831,95 9.082,96 145.429,97 10.729,98 1.225,99 2.122,100 22.524,101 8.623,102 119.111,103 9.044,104 70,105 57,106 0.327,107 0.666,108 0.831,109 0.877,110 0.883,111 0.883,112 3.588,113 0.949,114 -3.85,115 -3.81,116 -3.62,119 38.2,121 1,124 2,125 1,132 1,142 5,143 3,144 2,145 2,147 2,150 1,158 1,172 5,174 5,175 6,178 4,180 7,183 4,188 3,193 5,196 3,199 2,200 10,203 3,204 1,205 3,208 2,213 8,217 1,221 1,224 2,225 8,228 3,230 3,233 3,239 1,242 2,244 3,247 2,252 6,253 3,256 2,258 2,261 3,270 1,271 1,274 4,278 2486,279 22.408,280 22.408,281 22.408,282 22.408,283 22.408,284 19.762,285 36.58,286 12.742,287 23.106,288 18.766,289 18.766,290 18.766,291 18.766,292 18.766,293 14.563,294 61.621,295 6.079,296 20.019,297 3.779,298 1.7,299 0.689,300 0.405,301 0.368,302 0.368,303 4.274,308 1,309 939,310 4.743,313 92.93,314 342.611,317 159.647,321 1.954,322 69.355,325 0.75,326 0.67,327 0.83,328 0.7,330 0.83,331 1,332 0.68,333 81,334 441,335 4.782,336 4.47,337 7.249,338 4.311,339 3.384,340 4.543,341 3.825,342 12.246,343 3.147,344 4.553,345 4.38,346 7.219,347 4.253,348 3.37,349 4.065,350 1.987,351 12.041,352 2.984,353 4.341,354 3.683,355 6.259,356 3.993,357 3.009,358 3.952,359 0.657,360 9.524,361 2.955,362 4.151,363 3.099,364 6.15,365 3.697,366 2.74,367 3.77,368 0.4,369 8.933,370 2.619,371 3.916,372 2.962,373 5.738,374 3.543,375 2.638,376 3.224,377 0.4,378 8.008,379 2.401,380 3.637,381 2.812,382 5.416,383 3.262,384 2.327,385 2.92,386 0.324,387 7.052,388 2.132,389 3.338,390 2.512,391 4.956,392 2.956,393 1.998,394 2.514,396 5.777,397 1.895,398 3.181,399 2.162,400 4.753,401 2.756,402 1.778,403 2.374,405 5.096,406 1.712,407 2.987,408 1.978,409 4.734,410 2.592,411 1.652,412 2.14,414 4.807,415 1.542,416 2.915,417 1.792,418 4.406,419 2.5,420 1.514,421 2.074,423 4.275,424 1.491,425 2.874,426 1.629,427 4.186,428 2.446,429 1.483,430 2.007,432 3.565,433 1.422,434 2.712,435 1.454,436 3.784,437 2.219,438 1.298,439 1.794,441 3.12,442 1.181,443 2.113,444 1.048,445 3.546,446 1.726,447 0.793,448 1.002,450 1.913,451 0.737,452 1.819,453 0.82,454 3.22,455 1.528,456 0.603,457 0.708,459 1.456,460 0.556,461 1.739,462 0.755,463 3.196,464 1.469,465 0.507,466 0.604,468 1.297,469 0.486,470 15.99,471 0.457,472 1.344,473 0.038,474 48.5,475 1.386,476 24.5,477 0.7,478 24,479 0.686,480 28.887,481 0.825,482 39.21,483 0.713,484 44.312,485 1.266,486 9.603,487 0.274,488 6.811,489 0.195,490 0.179,491 0.083,492 0.306,494 3,497 0.608,498 1.223,499 0.716,500 1.255,501 0.621,502 0.935,503 0.46,504 0.784,505 0.838,506 0.976,507 0.416,508 0.863,509 0.94,510 1.124,511 1.066,512 1.181,513 0.859,514 1.12,515 0.797,516 0.681,517 0.936,518 0.827,519 0.815,520 1.032,521 0.852,522 1.008,523 1.077,524 1.155,525 0.764,526 1.081,527 0.975,528 0.795,529 1.009,530 0.816,531 1.007,532 0.947,533 0.986,534 1.112,535 0.728,536 0.832,537 0.921,538 0.814,539 0.989,540 1.139,541 0.795,542 0.913,543 1.013,544 0.899,545 10.5,546 0.285,547 4.667,548 3.417,549 2.084,550 1.459,551 0.894,552 0.849,553 0.689,554 0.624,555 17627,556 67899,557 1.994,558 36.4,560 13,562 2,563 3,564 2,568 1.77,569 1.81,570 3.588,571 0.962,578 110.136,579 2.002,580 4.081,581 5.093,582 5.377,583 5.413,584 5.413,585 3.065,586 4.686,587 5.103,588 3.807,589 2265.17,590 8.975,591 35659.4,596 317.975,597 1.763,598 5.017,599 0.276,600 0.007,601 0.082,602 0.061,603 0.039,604 0.03,605 0.019,606 0.017,607 0.013,608 0.013,609 0.557,610 0.33,611 0.75,612 1.016,613 189.229,614 -0.04,615 -0.2,616 0.14,617 -0.113,618 -0.114,619 0.003,620 0.375,621 0.263,622 0.068,623 0.057,624 0.378,625 0.059,626 -0.195,627 -0.264,628 -0.193,629 -0.202,630 -0.116,631 -0.177,632 0.094,633 0.255,634 -0.061,635 0.044,636 0.018,637 -0.109,638 -0.094,639 -0.153,640 -0.065,641 -0.138,642 -0.046,643 -0.044,644 -0.051,645 0.084,646 -0.06,647 0.09,648 -0.104,649 0.051,650 -0.102,651 -0.179,652 0.17,653 0.07,654 -0.085,655 0.193,656 0.124,657 0.086,658 0.103,659 0.028,660 0.044,661 0.004,662 5.984,663 5.604,664 0.6,665 36.485,666 1.043,667 1.152,668 2.618,669 6.856,670 0.672,671 3.664,672 4.06,673 4.263,674 4.511,675 4.691,676 4.745,677 4.883,678 5.037,679 5.075,680 5.215,681 7.658,682 0.67,683 507.55,684 3.664,685 5.252,686 6.098,687 7.004,688 7.867,689 8.77,690 9.64,691 10.54,692 11.414,693 12.312,694 12.7,699 1,700 1,701 1,702 1,704 3,709 7,710 3,714 8,716 18,728 2,735 55,737 21,738 1,739 38,741 58,742 21,743 15,744 3,745 3,748 4,749 5,754 1,757 1,759 1,760 1,762 16,763 5,767 3,770 1,772 3,776 1,781 3,783 20,784 13,785 3,786 14,787 1,792 7,796 0.75,797 3,808 1,809 1,814 1,815 3,818 1,828 1,842 3,844 1,846 2,848 3,850 35,854 1,856 2,858 3,862 1,863 1,871 3,872 5.5,875 3,879 19.333,880 10.479,881 7.278,882 2.884,884 3.702,885 1.459,886 1.002,887 6.694,888 11.775,889 3.932,890 4.58,891 5.026,892 5.571,893 6.08,894 6.249,895 6.584,896 6.97,897 7.233,898 7.636,899 1,900 56,901 13.822,903 6.844,904 8.405,905 23.438,907 19.304,909 2.905,910 101.667,914 200.109,915 125.6,916 105.907,918 69.458,919 44.88,920 5.807,921 119.792,922 269.567,923 150.788,924 15.587,925 22.651,926 53.189,927 166.072,928 97.575,929 6.555,930 176.567,931 7.76,932 200.109,933 225.7,934 114.338,935 5.807,937 200.109,938 114.338,941 68.415,942 88.917,943 74.175,945 244.989,946 175.365,947 125.6,949 5.807,950 207.868,951 30.97,952 82.581,953 54.032,954 164.695,955 200.109,956 220.246,957 125.6,959 0.607,960 0.334,961 0.171,962 0.091,963 28,964 14,965 0.121,966 7,967 1,968 1.095,969 4.383,970 333.241,971 0.095,972 21,973 172.77,978 1,979 24.864,980 9.422,981 5.706,983 220.246,984 10.128,985 11.817,989 0.639,991 54.032,992 545.954,993 50,996 -3.64,998 35.375,1002 -0.147,1005 57.378,1006 63.377,1007 0.346,1008 0.706,1009 0.881,1010 0.93,1011 0.936,1012 0.936,1013 5.218,1014 1.778,1015 6.168,1016 5.777,1017 4.745,1018 5.268,1019 3.378,1020 7.052,1021 4.62,1022 6.484,1023 1.652,1024 7.789,1025 5.096,1026 4.691,1027 5.407,1028 3.979,1029 8.326,1030 4.439,1031 7.85,1032 1.514,1033 9.522,1034 4.807,1035 6.491,1036 7.549,1037 5.512,1038 11.325,1039 6.227,1040 9.25,1041 1.483,1042 11.322,1043 4.275,1044 7.179,1045 8.416,1046 6.718,1047 13.356,1048 6.783,1049 10.68,1050 1.298,1051 13.165,1052 3.565,1053 8.564,1054 10.145,1055 8.081,1056 15.989,1057 8.137,1058 12.13,1059 0.793,1060 15.037,1061 3.12,1062 9.551,1063 11.325,1064 9.397,1065 18.299,1066 9.007,1067 13.597,1068 0.603,1069 16.931,1070 1.913,1071 10.802,1072 12.901,1073 10.74,1074 20.83,1075 10.204,1076 3.384,1077 0.507,1078 18.841,1079 1.456,1080 11.912,1081 14.228,1082 12.077,1083 23.248,1084 11.21,1085 3.37,1086 12.246,1087 20.764,1088 1.297,1089 13.122,1090 15.742,1091 13.418,1092 25.75,1093 12.349,1094 3.009,1095 12.041,1096 22.697,1097 4.543,1098 14.284,1099 17.143,1100 14.759,1101 28.212,1102 13.415,1103 2.74,1104 9.524,1105 24.638,1106 4.065,1107 15.484,1108 18.634,1109 16.1,1110 30.706,1111 14.535,1112 2.638,1113 8.933,1114 26.585,1115 3.952,1116 16.669,1117 20.074,1118 17.441,1119 33.187,1120 15.628,1121 2.327,1122 8.008,1123 28.538,1124 3.77,1125 17.87,1126 21.559,1127 18.783,1128 35.681,1129 16.743,1130 1.998,1131 7.052,1132 30.495,1133 3.224,1134 19.066,1135 23.021,1136 20.125,1137 38.171,1138 17.849,1139 16985,1140 33557,1141 24.156,1142 36.955,1143 58.647,1144 59.497,1145 59.703,1146 58.504,1147 58.306,1148 75.516,1149 15.187,1150 178.544,1151 54.62,1152 5.651,1153 6.47,1154 6.932,1155 5.386,1156 5.384,1157 7.543,1158 5.335,1159 19.963,1160 5.147,1161 22.665,1162 1.543,1163 1.566,1164 1.571,1165 1.54,1166 1.534,1167 1.987,1168 0.4,1169 4.699,1170 1.437,1171 4.056,1172 4.08,1173 4.722,1174 3.979,1175 8.513,1176 3.939,1177 4,1178 4.013,1179 3.984,1180 3.916,1181 7.999,1182 3.879,1183 3.884,1184 3.917,1185 3.879,1186 3.749,1187 7.999,1188 3.736,1189 3.776,1190 3.78,1191 3.787,1192 3.667,1193 7.716,1194 3.648,1195 3.474,1196 3.518,1197 3.431,1198 3.276,1199 7.429,1200 3.299,1201 3.285,1202 3.359,1203 3.277,1204 3.043,1205 6.999,1206 3.048,1207 3.231,1208 3.297,1209 3.118,1210 2.934,1211 4.997,1212 2.994,1213 3.159,1214 3.26,1215 2.97,1216 2.92,1217 4.863,1218 2.903,1219 0.126,1220 0.118,1221 0.191,1222 0.113,1223 0.089,1224 4.782,1225 0.12,1226 4.47,1227 0.101,1228 7.249,1229 0.322,1230 4.311,1231 0.083,1232 3.384,1233 4.543,1234 3.825,1235 12.246,1236 3.147,1237 1.91,1238 1.886,1239 1.994,1240 2.06,1241 1.158,1242 2.058,1243 1.89,1244 1.868,1245 1.972,1246 2.009,1247 1.15,1248 2.006,1249 1.756,1250 1.731,1251 1.802,1252 1.918,1253 0.979,1254 1.911,1255 1.663,1256 1.67,1257 1.662,1258 1.797,1259 0.851,1260 1.84,1261 1.415,1262 1.376,1263 1.597,1264 1.67,1265 0.744,1266 1.64,1267 1.215,1268 1.136,1269 1.531,1270 1.478,1271 0.612,1272 1.487,1273 1.158,1274 1.062,1275 1.467,1276 1.452,1277 0.574,1278 1.476,1279 1.114,1280 1.051,1281 1.236,1282 1.434,1283 0.296,1284 1.364,1285 4.344,1287 5.72,1288 2.398,1289 7.268,1290 4.727,1291 8.892,1292 6.804,1293 10.557,1295 2.294,1297 40.812,1301 0.01,1303 8.172,1307 0.94,1308 -4.734,1312 36.846,1313 110.136,1314 224.475,1315 280.1,1316 295.71,1317 297.71,1318 297.71,1319 98.569,1320 8.073,1321 129.21,1322 137.59,1323 23,1324 12.84,1325 4.459,1326 3.7,1327 59.334,1328 156,1329 171,1330 0.176,1331 227.636,1332 403.41,1333 547.193,1334 39726,1335 5.5,1336 25.38,1337 0.725,1338 0.552,1339 23.13,1340 19.328,1341 16.414,1342 0.432,1343 0.316,1344 10.088,1345 14.681,1346 9.716,1347 8.008,1348 16.097,1349 12.021,1350 16.864,1351 0.296,1352 0.171,1353 16.279,1354 9.759,1355 12.413,1356 0.177,1357 0.091,1358 12.471,1359 6.358,1360 10.196,1361 0.113,1362 0.043,1363 9.722,1364 3.887,1365 8.013,1366 0.074,1367 0.024,1368 7.978,1369 2.559,1370 0.278,1371 114.441,1372 0.203,1373 32.13,1374 0.482,1375 190,1376 825.979,1377 260.761,1378 732.386,1379 955.62,1380 672,1381 222,1382 652.937,1383 292.737,1384 672.364,1385 994.15,1386 626,1387 6} {0 CHEMBL1090356,1 1.601,2 17.093,3 6.24,4 38.943,5 169.241,6 8.163,7 0.673,8 4.398,9 4.509,10 4.085,11 3.997,12 5.506,13 3.973,14 4.916,15 5.065,16 4.454,17 4.381,18 6.004,19 4.342,20 5.142,21 5.34,22 4.431,23 4.491,24 6.154,25 4.42,26 5.153,27 5.367,28 4.421,29 4.484,30 6.17,31 4.405,32 5.193,33 5.404,34 4.516,35 4.521,36 6.267,37 4.446,38 5.178,39 5.387,40 4.48,41 4.509,42 6.228,43 4.421,44 5.087,45 5.289,46 4.409,47 4.428,48 6.127,49 4.34,50 5.045,51 5.26,52 4.321,53 4.38,54 6.056,55 4.295,56 0.031,57 1.102,58 13,59 6.182,60 8.767,61 7.457,62 0.348,63 1.837,64 26.442,65 10.354,66 29.446,67 12.642,68 0.463,69 2.184,70 35.72,71 13.37,72 44.975,73 16.76,74 0.26,75 2.198,76 35.573,77 14.089,78 41.244,79 18.681,80 0.449,81 2.297,82 39.082,83 14.663,84 58.807,85 18.722,86 0.447,87 2.274,88 41.263,89 15.103,90 54.788,91 18.506,92 0.443,93 2.112,94 36.923,95 13.288,96 48.287,97 16.898,98 0.388,99 2.014,100 35.305,101 12.691,102 37.098,103 16.235,104 2,105 68,106 0.243,107 0.567,108 0.725,109 0.829,110 0.858,111 0.858,112 3.788,113 0.919,114 -4.76,115 -4.68,116 -4.39,119 45.8,121 1,125 4,142 14,143 2,144 3,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 13,174 2,175 8,178 3,180 5,183 14,187 2,188 7,193 5,196 9,199 1,200 13,205 4,208 5,212 1,213 15,216 3,218 2,221 9,224 1,225 7,228 2,230 2,233 11,238 3,239 7,242 1,244 5,247 13,252 1,253 7,256 1,258 1,261 10,265 1,266 10,269 1,270 1,271 1,274 14,278 4620,279 30.032,280 30.032,281 30.032,282 30.032,283 30.032,284 26.078,285 30.357,286 18.052,287 30.882,288 24.323,289 24.323,290 24.323,291 24.323,292 24.323,293 18.386,294 47.09,295 8.692,296 25.713,297 4.569,298 2.438,299 1.402,300 0.717,301 0.528,302 0.528,303 4.514,308 1,309 1652,310 3.464,313 209.351,314 687.437,316 170.28,321 2.852,322 30.152,325 0.75,326 0.5,327 0.83,328 0.5,330 0.83,331 1,332 0.63,333 91.5,334 735,335 4.738,336 3.628,337 7.021,338 4.267,339 3.327,340 4.68,341 1.987,342 12.063,343 3.144,344 4.167,345 3.328,346 6.143,347 3.825,348 2.878,349 3.759,350 0.86,351 9.058,352 2.731,353 4.127,354 3.126,355 6.027,356 3.735,357 2.759,358 3.744,359 0.8,360 8.634,361 2.695,362 4.04,363 2.838,364 5.815,365 3.61,366 2.679,367 3.625,368 0.4,369 8.149,370 2.574,371 3.955,372 2.72,373 5.566,374 3.564,375 2.591,376 3.475,377 0.324,378 7.588,379 2.44,380 3.732,381 2.601,382 5.502,383 3.346,384 2.411,385 3.105,387 7.317,388 2.25,389 3.646,390 2.49,391 5.306,392 3.272,393 2.3,394 2.944,396 6.806,397 2.219,398 3.443,399 2.321,400 5.044,401 2.998,402 2.055,403 2.736,405 5.983,406 1.942,407 3.309,408 2.25,409 4.684,410 2.892,411 1.899,412 2.564,414 5.07,415 1.854,416 2.974,417 2.039,418 4.543,419 2.696,420 1.772,421 2.105,423 4.499,424 1.632,425 2.905,426 1.561,427 4.42,428 2.427,429 1.447,430 2.081,432 4.185,433 1.418,434 2.874,435 1.556,436 4.344,437 2.341,438 1.419,439 1.987,441 3.85,442 1.326,443 2.83,444 1.461,445 3.575,446 2.322,447 1.353,448 1.954,450 2.987,451 1.274,452 2.657,453 1.411,454 3.525,455 2.148,456 1.182,457 1.728,459 2.71,460 1.138,461 2.612,462 1.256,463 3.498,464 2.041,465 1.147,466 1.666,468 2.611,469 1.016,470 20.8,471 0.484,472 0.824,473 0.019,474 62.25,475 1.448,476 33,477 0.767,478 29.25,479 0.68,480 35.686,481 0.83,482 43.4,483 0.603,484 51.415,485 1.196,486 12.231,487 0.284,488 8.961,489 0.208,490 0.016,492 0.303,497 0.851,498 1.272,499 0.708,500 0.943,501 0.638,502 0.856,503 1.015,504 1.134,505 0.908,506 1.003,507 0.701,508 0.942,509 1.22,510 1.008,511 0.968,512 0.881,513 1.143,514 0.947,515 0.803,516 1.11,517 0.789,518 0.945,519 0.765,520 0.974,521 1.035,522 0.951,523 0.844,524 0.872,525 1.318,526 0.888,527 1.129,528 0.993,529 1.068,530 0.977,531 1.192,532 0.933,533 0.916,534 1.105,535 1.041,536 1.078,537 0.932,538 1.025,539 0.875,540 1.05,541 1.031,542 0.976,543 0.843,544 0.945,545 7,546 0.287,547 3.333,548 2.694,549 1.864,550 1.074,551 0.974,552 0.522,553 0.545,554 0.24,555 37147,556 93798,557 2.225,558 40.3,560 22,561 2,562 1,563 2,564 2,568 1.817,569 2.168,570 4.006,571 0.114,578 115.237,579 1.601,580 3.732,581 4.768,582 5.453,583 5.642,584 5.642,585 3.489,586 4.961,587 5.39,588 4.204,589 3796.62,590 9.544,591 70880.2,596 444.235,597 1.031,598 5.392,599 0.143,600 0.005,601 0.049,602 0.04,603 0.028,604 0.015,605 0.015,606 0.009,607 0.009,608 0.004,609 0.317,610 0.17,611 0.75,612 0.252,613 250.255,614 -0.044,615 -0.179,616 0.07,617 -0.026,618 -0.043,619 0.01,620 0.056,621 -0.051,622 -0.012,623 -0.065,624 0.028,625 -0.057,626 -0.142,627 0.019,628 -0.079,629 0.034,630 -0.124,631 -0.016,632 0.005,633 -0.116,634 0.063,635 -0.034,636 0.104,637 -0.004,638 0.002,639 0.057,640 0.1,641 0.077,642 -0.006,643 0.073,644 -0.07,645 0.033,646 -0.004,647 0.042,648 -0.051,649 0.038,650 0.039,651 -0.072,652 -0.013,653 -0.074,654 -0.005,655 -0.06,657 -0.005,658 -0.031,659 0.002,660 -0.017,661 0.019,662 1.737,663 5.744,664 0.884,665 66.581,666 1.002,667 1.117,668 3.532,669 12.478,670 0.708,671 3.912,672 4.234,673 4.533,674 4.852,675 5.088,676 5.198,677 5.403,678 5.553,679 5.694,680 5.826,681 9.626,682 0.674,683 587.76,684 3.912,685 5.46,686 6.319,687 7.203,688 8.079,689 8.971,690 9.857,691 10.756,692 11.649,693 12.553,694 9.7,700 1,701 1,702 2,704 3,708 1,709 17,710 3,713 1,714 9,716 33,728 1,730 1,735 72,737 34,738 3,739 49,741 78,742 33,743 27,744 5,745 13,748 7,749 8,760 1,762 28,763 5,767 1,772 1,776 1,783 29,784 8,785 2,786 10,787 1,789 1,792 7,796 0.857,797 2,809 1,814 2,815 5,817 1,828 1,841 1,842 6,844 1,850 43,856 5,858 2,859 1,862 1,866 1,872 2.8,875 1,876 1,879 19.833,880 12.917,881 9.333,882 4.254,884 6.374,885 1.669,886 1.048,887 8.038,888 15.902,889 4.212,890 4.828,891 5.439,892 6.09,893 6.638,894 6.999,895 7.517,896 7.949,897 8.394,898 8.807,899 0.917,900 67,901 15.879,903 6.831,904 7.597,905 30.686,907 25.585,909 2.097,910 90.167,914 317.82,915 235.135,916 90.789,918 36.145,920 31.278,921 203.857,922 353.965,923 90.789,925 33.941,926 149.364,927 102.977,928 51.624,929 28.198,930 313.784,932 317.82,933 294.646,934 36.145,935 31.278,937 317.82,938 25.145,939 11,941 69.699,942 174.591,943 50.357,944 31.278,945 317.82,946 126.934,947 235.135,950 317.82,951 76.724,952 162.822,953 36.022,954 86.501,955 317.82,956 126.934,957 235.135,959 0.575,960 0.335,961 0.193,962 0.106,963 34,964 13,965 0.103,966 8,967 1,968 1.053,969 5.392,970 454.754,971 0.053,972 38,973 221.329,975 1,979 27.566,980 12.539,981 6.262,982 0.857,983 125.647,984 33.426,985 14.315,988 1.559,989 7.516,991 36.022,992 679.889,993 66.5,998 12.744,1002 -0.07,1005 72.163,1006 80.394,1007 0.259,1008 0.605,1009 0.773,1010 0.884,1011 0.914,1012 0.914,1013 5.439,1014 2.055,1015 6.282,1016 6.806,1017 4.92,1018 5.517,1019 2.373,1020 7.084,1021 4.819,1022 6.636,1023 1.899,1024 7.822,1025 5.983,1026 4.369,1027 5.198,1028 1.668,1029 7.936,1030 4.225,1031 7.933,1032 1.772,1033 9.463,1034 5.07,1035 6.494,1036 7.719,1037 3.17,1038 11.084,1039 6.299,1040 9.268,1041 1.447,1042 11.167,1043 4.499,1044 6.815,1045 8.29,1046 3.181,1047 12.854,1048 6.564,1049 10.637,1050 1.419,1051 12.915,1052 4.185,1053 8.357,1054 10.234,1055 4.326,1056 15.512,1057 8.065,1058 12.032,1059 1.353,1060 14.696,1061 3.85,1062 9.101,1063 11.256,1064 4.656,1065 17.688,1066 8.746,1067 13.448,1068 1.182,1069 16.501,1070 2.987,1071 10.402,1072 12.951,1073 5.604,1074 20.204,1075 10.005,1076 3.327,1077 1.147,1078 18.326,1079 2.71,1080 11.36,1081 14.218,1082 6.091,1083 22.559,1084 10.898,1085 2.878,1086 12.063,1087 20.167,1088 2.611,1089 12.565,1090 15.805,1091 6.928,1092 25.041,1093 12.057,1094 2.759,1095 9.058,1096 22.023,1097 4.68,1098 13.631,1099 17.202,1100 7.501,1101 27.472,1102 13.06,1103 2.679,1104 8.634,1105 23.892,1106 3.759,1107 14.805,1108 18.748,1109 8.273,1110 29.952,1111 14.182,1112 2.591,1113 8.149,1114 25.77,1115 3.744,1116 15.928,1117 20.213,1118 8.894,1119 32.415,1120 15.241,1121 2.411,1122 7.588,1123 27.659,1124 3.625,1125 17.097,1126 21.747,1127 9.631,1128 34.897,1129 16.355,1130 2.3,1131 7.317,1132 29.555,1133 3.475,1134 18.249,1135 23.247,1136 10.279,1137 37.375,1138 17.446,1139 33514,1140 53511,1141 34.383,1142 50.972,1143 73.698,1144 74.444,1145 74.016,1146 73.002,1147 73.111,1148 98.355,1149 8.742,1150 207.399,1151 69.372,1152 5.738,1153 5.628,1154 6.823,1155 5.412,1156 5.327,1157 7.68,1158 3.497,1159 19.437,1160 5.144,1161 9.183,1162 1.504,1163 1.519,1164 1.511,1165 1.49,1166 1.492,1167 2.007,1168 0.178,1169 4.233,1170 1.416,1171 4.161,1172 4.196,1173 4.359,1174 4.068,1175 7.429,1176 4.057,1177 3.962,1178 4.003,1179 3.931,1180 3.873,1181 5.102,1182 3.868,1183 3.929,1184 3.962,1185 3.875,1186 3.849,1187 4.925,1188 3.849,1189 3.849,1190 3.881,1191 3.819,1192 3.792,1193 4.762,1194 3.776,1195 3.765,1196 3.819,1197 3.754,1198 3.614,1199 4.735,1200 3.618,1201 3.657,1202 3.702,1203 3.554,1204 3.475,1205 4.695,1206 3.484,1207 3.463,1208 3.497,1209 3.413,1210 3.276,1211 4.579,1212 3.294,1213 3.175,1214 3.215,1215 3.27,1216 3.103,1217 4.125,1218 3.081,1219 0.097,1220 0.074,1221 0.143,1222 0.087,1223 0.068,1224 4.738,1225 0.096,1226 3.628,1227 0.041,1228 7.021,1229 0.246,1230 4.267,1231 0.064,1232 3.327,1233 4.68,1234 1.987,1235 12.063,1236 3.144,1237 1.944,1238 1.917,1239 2.051,1240 2.066,1241 1.236,1242 2.057,1243 1.92,1244 1.887,1245 2.033,1246 2.034,1247 1.17,1248 2.037,1249 1.901,1250 1.873,1251 2.007,1252 1.991,1253 1.124,1254 1.997,1255 1.773,1256 1.731,1257 1.874,1258 1.94,1259 1.024,1260 1.928,1261 1.628,1262 1.574,1263 1.825,1264 1.833,1265 0.918,1266 1.834,1267 1.471,1268 1.42,1269 1.592,1270 1.694,1271 0.825,1272 1.664,1273 1.403,1274 1.371,1275 1.576,1276 1.62,1277 0.709,1278 1.603,1279 1.35,1280 1.339,1281 1.513,1282 1.43,1283 0.637,1284 1.461,1285 4.595,1287 5.916,1288 3.045,1289 7.428,1290 5.416,1291 9.027,1292 7.535,1293 10.673,1301 3.601,1303 6.381,1304 5.472,1307 2.321,1312 48.561,1313 115.237,1314 268.716,1315 343.322,1316 392.625,1317 406.235,1318 406.235,1319 59.813,1320 9.529,1321 96.68,1322 124.92,1323 40,1324 13.075,1325 5.129,1326 4.209,1327 58.258,1328 238,1329 280,1330 0.112,1331 295.409,1332 498.39,1333 712.558,1334 262428,1336 29.012,1337 0.675,1338 0.561,1339 29.365,1340 24.128,1341 21.192,1342 0.432,1343 0.306,1344 14.017,1345 20.009,1346 13.69,1347 11.271,1348 21.646,1349 15.005,1350 18.912,1351 0.278,1352 0.163,1353 19.496,1354 11.066,1355 16.149,1356 0.176,1357 0.087,1358 16.773,1359 8.044,1360 14.356,1361 0.113,1362 0.047,1363 15.064,1364 5.933,1365 11.665,1366 0.072,1367 0.025,1368 12.279,1369 3.962,1370 0.18,1371 136.469,1372 0.171,1373 38.548,1374 0.297,1375 234,1376 643.223,1377 277.808,1378 649.404,1379 910.02,1380 614,1381 277,1382 672.969,1383 316.622,1384 696.182,1385 1024.59,1386 658,1387 5.9} {0 CHEMBL1090360,1 1.601,2 16.395,3 6.24,4 38.943,5 169.241,6 8.163,7 0.673,8 4.398,9 4.509,10 4.085,11 3.997,12 5.506,13 3.973,14 4.916,15 5.065,16 4.454,17 4.381,18 6.004,19 4.342,20 5.142,21 5.34,22 4.431,23 4.491,24 6.152,25 4.42,26 5.153,27 5.367,28 4.435,29 4.485,30 6.171,31 4.408,32 5.198,33 5.405,34 4.539,35 4.53,36 6.274,37 4.462,38 5.205,39 5.409,40 4.524,41 4.543,42 6.263,43 4.459,44 5.157,45 5.365,46 4.456,47 4.48,48 6.189,49 4.391,50 5.111,51 5.332,52 4.352,53 4.421,54 6.116,55 4.338,56 0.031,57 1.102,58 13,59 6.182,60 8.767,61 7.457,62 0.348,63 1.837,64 26.442,65 10.354,66 29.558,67 12.642,68 0.463,69 2.184,70 35.72,71 13.37,72 44.904,73 16.76,74 0.269,75 2.205,76 35.584,77 14.149,78 40.819,79 18.788,80 0.446,81 2.327,82 38.901,83 14.309,84 57.17,85 18.16,86 0.496,87 2.364,88 41.584,89 15.256,90 55.131,91 18.633,92 0.46,93 2.247,94 39.764,95 14.174,96 53.153,97 18.259,98 0.435,99 2.136,100 38.312,101 13.346,102 44.229,103 16.901,104 2,105 68,106 0.243,107 0.567,108 0.732,109 0.84,110 0.87,111 0.875,112 3.788,113 0.919,114 -4.76,115 -4.68,116 -4.39,119 45.8,121 1,125 4,142 14,143 2,144 3,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 13,174 2,175 8,178 3,180 5,183 15,187 2,188 6,193 4,196 8,199 1,200 14,203 1,205 5,208 5,212 1,213 13,216 2,218 2,221 9,224 3,225 8,228 2,230 2,233 11,238 1,239 8,242 2,244 5,247 12,252 1,253 7,258 1,261 11,265 4,266 9,269 1,270 1,271 1,274 13,278 4506,279 30.032,280 30.032,281 30.032,282 30.032,283 30.032,284 26.078,285 30.357,286 18.093,287 30.882,288 24.34,289 24.34,290 24.34,291 24.34,292 24.34,293 18.392,294 49.59,295 8.719,296 25.728,297 4.569,298 2.438,299 1.356,300 0.644,301 0.444,302 0.417,303 4.514,308 1,309 1583,310 3.464,313 204.642,314 664.425,316 166.47,321 2.795,322 30.368,325 0.75,326 0.5,327 0.83,328 0.5,330 0.83,331 1,332 0.63,333 91.5,334 705,335 4.738,336 3.628,337 7.021,338 4.267,339 3.327,340 4.68,341 1.987,342 12.063,343 3.144,344 4.196,345 3.328,346 6.17,347 3.853,348 2.905,349 3.778,350 0.86,351 9.189,352 2.759,353 4.127,354 3.143,355 6.027,356 3.735,357 2.758,358 3.75,359 0.8,360 8.634,361 2.695,362 4.036,363 2.825,364 5.813,365 3.601,366 2.664,367 3.634,368 0.4,369 8.13,370 2.572,371 3.954,372 2.72,373 5.564,374 3.556,375 2.59,376 3.475,377 0.324,378 7.583,379 2.417,380 3.71,381 2.601,382 5.493,383 3.324,384 2.391,385 3.094,387 7.279,388 2.229,389 3.614,390 2.49,391 5.305,392 3.268,393 2.296,394 2.875,396 6.802,397 2.213,398 3.434,399 2.315,400 5.047,401 2.997,402 2.055,403 2.708,405 5.99,406 1.941,407 3.308,408 2.236,409 4.685,410 2.892,411 1.899,412 2.561,414 5.071,415 1.854,416 2.967,417 2.029,418 4.544,419 2.653,420 1.73,421 2.115,423 4.392,424 1.592,425 2.905,426 1.561,427 4.368,428 2.427,429 1.448,430 2.084,432 4.138,433 1.418,434 2.864,435 1.55,436 4.336,437 2.344,438 1.423,439 1.982,441 3.846,442 1.327,443 2.829,444 1.459,445 3.575,446 2.326,447 1.354,448 1.951,450 2.987,451 1.282,452 2.664,453 1.4,454 3.549,455 2.212,456 1.259,457 1.733,459 2.811,460 1.195,461 2.646,462 1.256,463 3.511,464 2.145,465 1.172,466 1.706,468 2.613,469 1.135,470 20.8,471 0.484,472 0.824,473 0.019,474 62.25,475 1.448,476 33,477 0.767,478 29.25,479 0.68,480 36.003,481 0.837,482 43.4,483 0.603,484 51.705,485 1.202,486 12.231,487 0.284,488 8.961,489 0.208,490 0.016,492 0.303,497 0.851,498 1.272,499 0.708,500 0.943,501 0.638,502 0.856,503 1.015,504 1.134,505 0.908,506 1.003,507 0.7,508 0.942,509 1.22,510 1.008,511 0.968,512 0.881,513 1.151,514 0.947,515 0.764,516 1.107,517 0.765,518 0.942,519 0.743,520 0.962,521 1.12,522 0.982,523 0.854,524 0.856,525 1.338,526 0.871,527 1.116,528 0.982,529 1.08,530 0.986,531 1.176,532 0.953,533 0.89,534 1.143,535 1.012,536 1.069,537 0.902,538 1.017,539 1.087,540 0.983,541 1.047,542 0.911,543 0.949,544 0.903,545 7,546 0.333,547 3.111,548 2.819,549 1.864,550 1.074,551 0.955,552 0.454,553 0.493,554 0.267,555 36139,556 91438,557 2.225,558 40.3,560 22,561 2,562 1,563 2,564 2,568 1.818,569 2.168,570 3.962,571 0.114,578 115.237,579 1.601,580 3.732,581 4.813,582 5.526,583 5.725,584 5.753,585 3.472,586 5.054,587 5.392,588 4.15,589 3747.48,590 9.553,591 69173.3,596 444.235,597 1.031,598 5.392,599 0.143,600 0.006,601 0.046,602 0.042,603 0.028,604 0.015,605 0.014,606 0.007,607 0.008,608 0.004,609 0.313,610 0.17,611 0.75,612 0.252,613 249.226,614 -0.044,615 -0.179,616 0.07,617 -0.026,618 -0.043,619 0.01,620 0.056,621 -0.051,622 -0.012,623 -0.065,624 0.029,625 -0.057,626 -0.142,627 0.019,628 -0.079,629 0.034,630 -0.132,631 -0.016,632 0.045,633 -0.113,634 0.088,635 -0.031,636 0.124,637 0.008,638 -0.049,639 0.045,640 0.085,641 0.082,642 -0.028,643 0.075,644 -0.044,645 0.061,646 -0.032,647 0.019,648 -0.052,649 0.002,650 0.05,651 -0.116,652 0.007,653 -0.073,654 0.009,655 -0.047,656 -0.114,657 0.061,658 -0.044,659 0.058,660 -0.082,661 0.058,662 1.737,663 5.755,664 0.884,665 62.919,666 1.002,667 1.117,668 3.532,669 12.478,670 0.708,671 3.912,672 4.234,673 4.533,674 4.86,675 5.094,676 5.204,677 5.407,678 5.557,679 5.7,680 5.832,681 9.336,682 0.674,683 587.76,684 3.912,685 5.46,686 6.319,687 7.204,688 8.081,689 8.975,690 9.861,691 10.761,692 11.655,693 12.56,694 9.7,700 1,701 1,702 2,704 3,708 1,709 17,710 3,713 1,714 9,716 33,728 1,730 1,735 72,737 34,738 3,739 49,741 78,742 33,743 27,744 5,745 13,748 7,749 8,760 1,762 28,763 5,767 1,772 1,776 1,783 29,784 8,785 2,786 10,787 1,789 1,792 7,796 0.857,797 2,809 1,814 2,815 5,817 1,828 1,841 1,842 6,844 1,850 43,856 5,858 2,859 1,862 1,866 1,872 2.8,875 1,876 1,879 19.833,880 12.917,881 9.333,882 4.254,884 6.423,885 1.674,886 1.048,887 8.038,888 15.952,889 4.212,890 4.828,891 5.439,892 6.095,893 6.638,894 7,895 7.518,896 7.95,897 8.396,898 8.81,899 1,900 67,901 15.881,903 6.832,904 7.597,905 30.686,907 25.585,909 2.097,910 90.167,914 317.82,915 235.135,916 90.789,918 36.145,920 31.278,921 203.857,922 353.965,923 90.789,925 33.941,926 149.364,927 102.977,928 51.624,929 28.198,930 313.784,932 317.82,933 294.646,934 36.145,935 31.278,937 317.82,938 25.145,939 11,941 69.699,942 174.591,943 50.357,944 31.278,945 317.82,946 126.934,947 235.135,950 317.82,951 76.724,952 162.822,953 36.022,954 86.501,955 317.82,956 126.934,957 235.135,959 0.575,960 0.334,961 0.195,962 0.107,963 34,964 13,965 0.103,966 8,967 1,968 1.053,969 5.346,970 458.459,971 0.053,972 38,973 225.329,975 1,979 27.566,980 12.539,981 6.262,982 0.856,983 125.647,984 33.416,985 14.369,988 1.559,989 7.486,991 36.022,992 679.889,993 66.5,998 12.755,1002 -0.071,1005 72.163,1006 80.394,1007 0.259,1008 0.605,1009 0.78,1010 0.896,1011 0.928,1012 0.932,1013 5.439,1014 2.055,1015 6.282,1016 6.802,1017 4.92,1018 5.517,1019 2.373,1020 7.086,1021 4.819,1022 6.636,1023 1.899,1024 7.822,1025 5.99,1026 4.369,1027 5.198,1028 1.668,1029 7.936,1030 4.225,1031 7.933,1032 1.73,1033 9.463,1034 5.071,1035 6.494,1036 7.719,1037 3.17,1038 11.09,1039 6.299,1040 9.268,1041 1.448,1042 11.168,1043 4.392,1044 6.815,1045 8.29,1046 3.181,1047 12.859,1048 6.564,1049 10.637,1050 1.423,1051 12.917,1052 4.138,1053 8.358,1054 10.235,1055 4.326,1056 15.521,1057 8.067,1058 12.032,1059 1.354,1060 14.698,1061 3.846,1062 9.104,1063 11.259,1064 4.656,1065 17.695,1066 8.749,1067 13.449,1068 1.259,1069 16.504,1070 2.987,1071 10.406,1072 12.954,1073 5.604,1074 20.213,1075 10.01,1076 3.327,1077 1.172,1078 18.329,1079 2.811,1080 11.366,1081 14.222,1082 6.091,1083 22.566,1084 10.905,1085 2.905,1086 12.063,1087 20.172,1088 2.613,1089 12.572,1090 15.809,1091 6.928,1092 25.048,1093 12.065,1094 2.758,1095 9.189,1096 22.028,1097 4.68,1098 13.64,1099 17.207,1100 7.501,1101 27.478,1102 13.069,1103 2.664,1104 8.634,1105 23.897,1106 3.778,1107 14.814,1108 18.752,1109 8.273,1110 29.957,1111 14.193,1112 2.59,1113 8.13,1114 25.776,1115 3.75,1116 15.937,1117 20.217,1118 8.894,1119 32.42,1120 15.253,1121 2.391,1122 7.583,1123 27.664,1124 3.634,1125 17.106,1126 21.751,1127 9.631,1128 34.901,1129 16.367,1130 2.296,1131 7.279,1132 29.561,1133 3.475,1134 18.259,1135 23.251,1136 10.279,1137 37.378,1138 17.458,1139 32648,1140 52183,1141 34.383,1142 50.972,1143 73.742,1144 74.379,1145 73.975,1146 72.922,1147 73.016,1148 98.223,1149 8.742,1150 207.131,1151 69.28,1152 5.738,1153 5.628,1154 6.823,1155 5.412,1156 5.327,1157 7.68,1158 3.497,1159 19.437,1160 5.144,1161 9.164,1162 1.505,1163 1.518,1164 1.51,1165 1.488,1166 1.49,1167 2.005,1168 0.178,1169 4.227,1170 1.414,1171 4.161,1172 4.196,1173 4.359,1174 4.068,1175 7.429,1176 4.057,1177 3.963,1178 4.004,1179 3.933,1180 3.873,1181 5.102,1182 3.869,1183 3.93,1184 3.962,1185 3.875,1186 3.849,1187 4.925,1188 3.849,1189 3.849,1190 3.881,1191 3.818,1192 3.792,1193 4.762,1194 3.776,1195 3.761,1196 3.815,1197 3.752,1198 3.613,1199 4.734,1200 3.617,1201 3.659,1202 3.704,1203 3.552,1204 3.475,1205 4.695,1206 3.484,1207 3.463,1208 3.497,1209 3.413,1210 3.276,1211 4.58,1212 3.294,1213 3.176,1214 3.216,1215 3.27,1216 3.104,1217 4.125,1218 3.081,1219 0.097,1220 0.074,1221 0.143,1222 0.087,1223 0.068,1224 4.738,1225 0.096,1226 3.628,1227 0.041,1228 7.021,1229 0.246,1230 4.267,1231 0.064,1232 3.327,1233 4.68,1234 1.987,1235 12.063,1236 3.144,1237 1.944,1238 1.917,1239 2.051,1240 2.067,1241 1.237,1242 2.058,1243 1.92,1244 1.888,1245 2.033,1246 2.034,1247 1.17,1248 2.037,1249 1.901,1250 1.873,1251 2.007,1252 1.99,1253 1.124,1254 1.997,1255 1.772,1256 1.73,1257 1.872,1258 1.939,1259 1.023,1260 1.926,1261 1.628,1262 1.574,1263 1.828,1264 1.833,1265 0.918,1266 1.835,1267 1.472,1268 1.421,1269 1.593,1270 1.696,1271 0.825,1272 1.666,1273 1.403,1274 1.371,1275 1.577,1276 1.62,1277 0.709,1278 1.603,1279 1.35,1280 1.339,1281 1.513,1282 1.43,1283 0.637,1284 1.461,1285 4.595,1287 5.916,1288 3.045,1289 7.428,1290 5.416,1291 9.028,1292 7.535,1293 10.675,1301 3.511,1303 6.418,1304 5.505,1307 2.316,1312 48.561,1313 115.237,1314 268.716,1315 346.567,1316 397.87,1317 412.235,1318 414.235,1319 59.941,1320 9.529,1321 96.68,1322 124.92,1323 40,1324 13.081,1325 5.129,1326 4.209,1327 58.174,1328 232,1329 269,1330 0.115,1331 295.409,1332 498.39,1333 712.558,1334 262428,1336 29.012,1337 0.675,1338 0.561,1339 29.365,1340 24.128,1341 21.192,1342 0.432,1343 0.306,1344 14.017,1345 20.009,1346 13.689,1347 11.272,1348 21.646,1349 15.005,1350 18.924,1351 0.278,1352 0.163,1353 19.508,1354 11.069,1355 16.081,1356 0.175,1357 0.087,1358 16.705,1359 8.023,1360 14.436,1361 0.113,1362 0.047,1363 15.143,1364 5.958,1365 11.705,1366 0.072,1367 0.025,1368 12.319,1369 3.983,1370 0.184,1371 136.469,1372 0.171,1373 38.353,1374 0.308,1375 234,1376 643.223,1377 277.808,1378 649.469,1379 910.04,1380 614,1381 277,1382 672.969,1383 316.622,1384 696.318,1385 1024.86,1386 658,1387 5.9} {0 CHEMBL1091041,1 1.715,2 8.55,3 2.911,4 8.473,5 78.797,6 11.35,7 0.545,8 3.505,9 3.575,10 3.436,11 3.179,12 4.763,13 3.171,14 3.945,15 4.037,16 3.85,17 3.527,18 5.277,19 3.502,20 4.094,21 4.237,22 3.819,23 3.552,24 5.355,25 3.485,26 4.036,27 4.209,28 3.698,29 3.377,30 5.203,31 3.325,32 3.865,33 3.983,34 3.8,35 3.238,36 5.275,37 3.257,38 3.813,39 3.922,40 3.608,41 3.167,42 5.282,43 3.155,44 3.551,45 3.673,46 3.467,47 2.983,48 4.942,49 2.94,50 3.417,51 3.568,52 2.995,53 2.904,54 4.534,55 2.785,56 0.057,57 0.353,58 0.894,59 2.123,60 3.967,61 2.191,62 0.235,63 0.566,64 2.179,65 3.475,66 17.802,67 3.466,68 0.212,69 0.657,70 15.137,71 5.2,72 18.068,73 5.409,74 0.286,75 0.637,76 14.382,77 5.022,78 28.076,79 4.845,80 0.253,81 0.528,82 12.304,83 3.761,84 15.786,85 3.145,86 0.344,87 0.476,88 4.867,89 3.44,90 38.114,91 2.54,92 0.191,93 0.35,94 5.82,95 2.966,96 21.446,97 2.631,98 0.126,99 0.316,100 7.632,101 2.772,102 14.387,103 2.799,104 5,105 30,106 0.322,107 0.602,108 0.786,109 0.9,110 0.913,111 0.913,112 3.058,113 0.914,114 -4.53,115 -4.46,116 -4.2,117 1,119 51.7,135 1,138 1,142 6,143 2,144 1,145 2,158 2,172 7,174 2,175 5,183 8,187 1,188 9,196 5,200 6,208 2,212 1,213 9,221 3,224 2,225 3,233 4,239 3,247 6,253 2,261 5,266 1,274 3,278 460,279 13.585,280 13.585,281 13.585,282 13.585,283 13.585,284 11.614,285 8.833,286 8.185,287 13.961,288 10.899,289 10.899,290 10.899,291 10.899,292 10.899,293 7.939,294 8.438,295 3.954,296 11.558,297 3.143,298 1.657,299 0.673,300 0.069,303 3.738,307 1,308 1,309 369,310 2,313 53.148,314 131.591,321 1.495,322 18.692,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 42.75,334 171,335 4.413,336 3.783,337 6.339,338 3.998,339 3.049,340 3.944,341 1.759,342 9.751,343 2.889,344 4.076,345 3.07,346 5.89,347 3.644,348 2.669,349 3.639,350 0.918,351 8.241,352 2.599,353 3.823,354 2.778,355 5.297,356 3.386,357 2.418,358 3.309,360 6.786,361 2.339,362 3.495,363 2.55,364 5.007,365 3.001,366 2.104,367 2.784,369 5.883,370 1.79,371 3.002,372 2.008,373 4.196,374 2.482,375 1.523,376 2.148,378 3.734,379 1.453,380 2.847,381 1.698,382 4.11,383 2.265,384 1.323,385 1.921,387 3.422,388 1.177,389 2.67,390 1.392,391 3.572,392 2.148,393 1.196,394 1.647,396 2.913,397 1.122,398 2.539,399 1.166,400 3.47,401 1.994,402 1.029,403 1.5,405 2.483,406 0.985,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.485,414 2.136,415 0.953,416 1.302,417 0.789,418 2.81,419 0.891,420 -0.063,421 -0.081,423 -0.169,424 -0.06,425 0.947,426 0.18,427 2.517,428 0.45,429 -0.398,430 -0.503,432 -0.885,433 -0.21,434 0.895,435 -0.046,436 2,437 0.353,438 -0.617,439 -0.814,441 -1.486,442 -0.592,443 0.699,444 -0.597,445 1.873,446 0.225,447 -0.727,448 -1.068,450 -1.945,451 -0.697,452 0.5,453 -0.751,454 1.712,455 -0.024,456 -1,457 -1.5,459 -2.347,460 -0.973,461 0.446,462 -1,463 1.555,464 -0.093,465 -1.082,466 -1.538,468 -2.713,469 -1.057,470 10.3,471 0.515,472 0.452,473 0.023,474 29.25,475 1.463,476 16.5,477 0.825,478 12.75,479 0.638,480 12.589,481 0.629,482 19.1,483 0.659,484 17.985,485 0.899,486 5.839,487 0.292,488 3.881,489 0.194,490 0.162,492 0.291,497 0.7,498 1.099,499 0.454,500 0.739,501 0.594,502 0.732,503 0.641,504 1.047,505 0.589,506 0.785,507 0.566,508 0.857,509 0.807,510 1.157,511 1.063,512 1.145,513 0.732,514 1.125,515 1.358,516 0.941,517 0.862,518 0.821,519 1.061,520 0.846,521 1.287,522 1.073,523 0.957,524 1.135,525 1.15,526 0.902,527 1.979,528 0.799,529 0.759,530 0.694,531 2.493,532 0.828,533 1.307,534 0.898,535 0.834,536 0.987,537 1.792,538 0.982,539 0.964,540 1.034,541 1.104,542 1.11,543 1.18,544 1.281,545 4,546 0.033,547 1.778,548 1.229,549 1.023,550 0.508,551 0.408,552 0.146,553 0.058,554 0.063,555 3923,556 13580,557 2.107,558 31,560 7,562 2,568 1.616,569 2,570 3.119,571 -0.738,573 1,575 1,578 49.749,579 1.715,580 3.201,581 4.185,582 4.789,583 4.858,584 4.858,585 2.546,586 3.822,587 4.293,588 3.246,589 616.671,590 7.329,591 6302.75,592 1,593 1,594 1,595 1,596 140.881,597 1.295,598 4.266,599 0.182,600 0.005,601 0.059,602 0.046,603 0.044,604 0.021,605 0.02,606 0.01,607 0.005,608 0.006,609 0.399,610 0.5,611 1,612 0.548,613 88.69,614 -0.039,615 -0.157,616 0.001,617 -0.054,618 -0.08,619 -0.018,620 0.21,621 -0.06,622 -0.001,623 -0.029,624 0.1,625 -0.096,626 0.019,627 -0.2,628 -0.094,629 -0.199,630 0.067,631 -0.173,632 -0.227,633 0.07,634 -0.012,635 0.145,636 -0.132,637 0.163,638 0.009,639 -0.036,640 -0.006,641 -0.215,642 0.075,643 -0.052,644 -0.275,645 0.199,646 -0.028,647 0.204,648 -0.326,649 -0.001,650 -0.083,651 -0.004,652 0.055,653 -0.031,654 -0.078,655 -0.044,656 -0.199,657 -0.145,658 -0.137,659 -0.132,660 -0.274,661 -0.273,662 2.121,663 4.81,664 0.85,665 14.8,666 1.021,667 1.101,668 3.301,669 10.896,670 0.77,671 3.135,672 3.434,673 3.664,674 3.912,675 4.094,676 4.06,677 4.159,678 4.22,679 4.22,680 4.159,681 5.213,682 0.745,683 329.16,684 3.135,685 4.654,686 5.485,687 6.347,688 7.198,689 8.066,690 8.926,691 9.797,692 10.662,693 11.535,694 6.9,703 1,704 1,709 8,710 1,714 3,716 12,734 1,735 29,737 15,738 1,739 22,740 1,741 31,742 15,743 11,744 2,745 4,746 4,748 3,749 3,762 15,767 3,772 1,774 1,775 1,776 3,780 1,783 9,784 4,786 5,787 1,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,845 1,850 20,859 1,871 1,872 6.9,875 1,877 1,879 10,880 5.376,881 4.389,882 1.63,884 3.026,885 1.46,886 1.007,887 3.549,888 9.604,889 3.466,890 4.043,891 4.595,892 5.134,893 5.658,894 5.795,895 6.205,896 6.556,897 6.921,898 7.133,899 0.833,900 27,901 7.331,903 3.096,904 7.863,905 13.682,907 10.881,909 2.363,910 47.25,914 105.94,915 108.618,916 79.525,918 36.145,921 154.572,922 142.085,923 33.571,926 66.334,927 80.235,928 55.307,930 82.398,931 45.954,932 105.94,933 142.189,934 36.145,936 45.954,937 105.94,938 36.145,941 34.88,942 78.29,943 29.019,944 45.954,945 105.94,946 69.716,947 154.572,950 105.94,951 24.189,952 84.429,953 45.954,954 69.716,955 105.94,956 69.716,957 154.572,959 0.576,960 0.326,961 0.177,962 0.099,963 15,964 6,965 0.065,966 2,968 1,969 3.323,970 147.676,972 17,973 86.439,979 12.918,980 5.494,981 2.926,983 69.716,984 14.415,985 3.989,989 2.458,992 330.227,993 31,998 11.81,1000 1.653,1001 4.233,1002 0.128,1005 29.622,1006 31.918,1007 0.353,1008 0.659,1009 0.862,1010 0.986,1011 1,1012 1,1013 4.673,1014 1.029,1015 5.451,1016 2.913,1017 4.111,1018 4.727,1019 2.183,1020 6.213,1021 4.001,1022 5.879,1023 1,1024 6.974,1025 2.483,1026 3.611,1027 4.35,1029 6.969,1030 3.41,1031 7.172,1032 -0.063,1033 8.595,1034 2.136,1035 5.652,1036 6.864,1037 3.072,1038 10.059,1039 5.458,1040 8.499,1041 -0.398,1042 10.273,1043 -0.169,1044 5.969,1045 7.267,1047 11.655,1048 5.696,1049 9.855,1050 -0.617,1051 11.987,1052 -0.885,1053 7.473,1054 9.243,1055 4.119,1056 14.23,1057 7.195,1058 11.233,1059 -0.727,1060 13.727,1061 -1.486,1062 8.181,1063 10.039,1065 16.187,1066 7.83,1067 12.627,1068 -1,1069 15.486,1070 -1.945,1071 9.449,1072 11.746,1073 5.224,1074 18.57,1075 9.081,1076 3.049,1077 -1.082,1078 17.259,1079 -2.347,1080 10.352,1081 12.764,1083 20.69,1084 9.914,1085 2.669,1086 9.751,1087 19.042,1088 -2.713,1089 11.517,1090 14.321,1091 6.346,1092 22.999,1093 11.049,1094 2.418,1095 8.241,1096 20.834,1097 3.944,1098 12.518,1099 15.47,1101 25.197,1102 11.984,1103 2.104,1104 6.786,1105 22.633,1106 3.639,1107 13.641,1108 16.942,1109 7.474,1110 27.478,1111 13.066,1112 1.523,1113 5.883,1114 24.438,1115 3.309,1116 14.692,1117 18.172,1119 29.713,1120 14.054,1121 1.323,1122 3.734,1123 26.248,1124 2.784,1125 15.798,1126 19.594,1127 8.603,1128 31.985,1129 15.113,1130 1.196,1131 3.422,1132 28.061,1133 2.148,1134 16.875,1135 20.873,1137 34.238,1138 16.128,1139 3798,1140 7188,1141 14.909,1142 22.318,1143 33.364,1144 34.197,1145 33.328,1146 32.811,1147 32.62,1148 44.755,1149 5.354,1150 90.694,1151 30.615,1152 5.28,1153 5.783,1154 6.141,1155 5.048,1156 5.049,1157 6.944,1158 3.519,1159 16.386,1160 4.889,1161 7.578,1162 1.517,1163 1.554,1164 1.515,1165 1.491,1166 1.483,1167 2.034,1168 0.243,1169 4.122,1170 1.392,1171 3.981,1172 4.002,1173 6.88,1174 3.905,1175 7.433,1176 3.901,1177 3.861,1178 3.892,1179 3.923,1180 3.793,1181 4.958,1182 3.79,1183 3.632,1184 3.648,1185 3.762,1186 3.455,1187 4.856,1188 3.485,1189 3.026,1190 3.064,1191 3.553,1192 2.959,1193 4.607,1194 2.931,1195 2.875,1196 2.915,1197 2.923,1198 2.836,1199 3.998,1200 2.784,1201 2.864,1202 2.886,1203 2.801,1204 2.699,1205 3.787,1206 2.709,1207 2.752,1208 2.833,1209 2.619,1210 2.521,1211 3.769,1212 2.539,1213 2.491,1214 2.532,1215 2.524,1216 2.2,1217 3.606,1218 2.249,1219 0.201,1220 0.172,1221 0.288,1222 0.182,1223 0.139,1224 4.413,1225 0.179,1226 3.783,1227 0.08,1228 6.339,1229 0.443,1230 3.998,1231 0.131,1232 3.049,1233 3.944,1234 1.759,1235 9.751,1236 2.889,1237 1.897,1238 1.876,1239 1.975,1240 1.982,1241 1.088,1242 1.985,1243 1.856,1244 1.826,1245 1.954,1246 1.949,1247 1.008,1248 1.96,1249 1.415,1250 1.391,1251 1.515,1252 1.588,1253 0.55,1254 1.559,1255 1.124,1256 1.118,1257 1.221,1258 1.387,1259 0.277,1260 1.319,1261 0.872,1262 0.83,1263 1.065,1264 1.041,1265 0.175,1266 1.057,1267 0.84,1268 0.806,1269 1.043,1270 0.995,1271 0.084,1272 1.041,1273 0.695,1274 0.622,1275 0.946,1276 0.96,1278 0.965,1279 0.556,1280 0.5,1281 0.79,1282 0.796,1284 0.818,1285 3.807,1287 5.106,1288 2.398,1289 6.592,1290 4.727,1291 8.156,1292 6.804,1293 9.76,1294 3.375,1304 5.189,1312 21.605,1313 49.749,1314 92.842,1315 121.372,1316 138.881,1317 140.881,1318 140.881,1319 25.716,1320 6.578,1321 55.99,1322 55.99,1323 17,1324 12.078,1325 4,1326 3.322,1327 29.989,1328 63,1329 56,1330 0.241,1331 139.624,1332 244.28,1333 332.442,1334 5542,1335 3.4,1336 13.949,1337 0.697,1338 0.594,1339 14.949,1340 11.871,1341 9.72,1342 0.442,1343 0.305,1344 5.882,1345 8.832,1346 5.724,1347 4.741,1348 10.298,1349 6.701,1350 8.74,1351 0.291,1352 0.168,1353 9.557,1354 5.048,1355 7.089,1356 0.187,1357 0.084,1358 7.614,1359 3.173,1360 5.861,1361 0.12,1362 0.044,1363 6.368,1364 2.173,1365 4.668,1366 0.079,1367 0.023,1368 5.097,1369 1.364,1370 0.372,1371 68.996,1372 0.259,1373 19.972,1374 0.673,1375 104,1376 349.416,1377 179.955,1378 374.277,1379 498.23,1380 348,1381 120,1382 339.572,1383 158.517,1384 356,1385 518.85,1386 334,1387 6.829} {0 CHEMBL1091042,1 1.747,2 9.818,3 2.894,4 8.378,5 85.26,6 10.885,7 0.5,8 3.632,9 3.702,10 3.524,11 3.246,12 4.888,13 3.25,14 4.092,15 4.196,16 3.929,17 3.587,18 5.393,19 3.579,20 4.194,21 4.316,22 4.035,23 3.666,24 5.467,25 3.62,26 4.218,27 4.364,28 4.144,29 3.56,30 5.435,31 3.521,32 4.128,33 4.291,34 3.931,35 3.499,36 5.384,37 3.451,38 4.027,39 4.148,40 3.81,41 3.319,42 5.495,43 3.29,44 3.71,45 3.818,46 3.371,47 3.092,48 5.023,49 3.073,50 3.699,51 3.84,52 3.451,53 3.111,54 4.958,55 3.04,56 0.087,57 0.419,58 1.806,59 2.691,60 4.723,61 2.685,62 0.355,63 0.662,64 6.443,65 4.497,66 25.069,67 4.295,68 0.285,69 0.727,70 11.844,71 5.616,72 21.491,73 5.501,74 0.415,75 0.731,76 19.846,77 6.046,78 28.782,79 5.511,80 0.31,81 0.689,82 15.702,83 5.57,84 23.938,85 5.583,86 0.536,87 0.567,88 23.727,89 5.28,90 44.243,91 4.478,92 0.218,93 0.419,94 8.846,95 3.421,96 23.74,97 2.912,98 0.316,99 0.433,100 6.027,101 3.324,102 25.918,103 2.995,104 11,105 33,106 0.32,107 0.678,108 0.811,109 0.886,110 0.898,111 0.898,112 3.147,113 0.904,114 -4.25,115 -4.19,116 -3.96,117 1,119 48.5,124 1,135 1,138 1,142 5,143 2,144 2,145 2,158 2,172 5,174 2,175 7,183 7,187 1,188 8,196 3,200 12,208 2,212 1,213 4,221 2,224 4,225 5,233 5,239 1,247 5,252 1,253 2,261 4,266 4,274 3,278 624,279 14.955,280 14.955,281 14.955,282 14.955,283 14.955,284 12.984,285 13.146,286 8.857,287 15.478,288 11.793,289 11.793,290 11.793,291 11.793,292 11.793,293 8.75,294 14.595,295 4.162,296 12.589,297 3.297,298 1.344,299 0.617,300 0.205,301 0.144,302 0.144,303 3.826,306 1,307 1,308 1,309 461,310 2.345,313 60.565,314 148.533,321 1.562,322 22.469,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 47.75,334 216,335 4.468,336 3.79,337 6.52,338 4.047,339 3.107,340 4.067,341 1.759,342 10.246,343 2.909,344 4.176,345 3.246,346 6.05,347 3.742,348 2.781,349 3.715,350 0.918,351 8.704,352 2.657,353 3.854,354 2.795,355 5.382,356 3.425,357 2.457,358 3.344,359 0.86,360 7.029,361 2.371,362 3.61,363 2.564,364 5.274,365 3.209,366 2.258,367 2.936,369 6.636,370 2.132,371 3.117,372 2.496,373 4.796,374 2.564,375 1.709,376 2.27,378 4.895,379 1.46,380 2.999,381 1.938,382 4.152,383 2.466,384 1.507,385 2.128,387 3.653,388 1.332,389 2.726,390 1.5,391 3.928,392 2.167,393 1.202,394 1.749,396 3.073,397 1.134,398 2.62,399 1.383,400 3.571,401 2.115,402 1.174,403 1.574,405 2.906,406 1.09,407 2.5,408 1.052,409 3.247,410 1.956,411 1,412 1.5,414 2.136,415 0.953,416 1.672,417 1,418 2.924,419 1.354,420 0.487,421 0.55,423 0.777,424 0.417,425 1.311,426 0.797,427 2.799,428 0.896,429 -0.051,430 -0.065,432 -0.131,433 -0.045,434 1.07,435 0.357,436 2.554,437 0.64,438 -0.189,439 -0.225,441 -0.424,442 -0.119,443 0.892,444 -0.059,445 2.214,446 0.351,447 -0.645,448 -0.858,450 -1.517,451 -0.539,452 0.679,453 -0.288,454 1.873,455 0.2,456 -0.705,457 -1.025,459 -1.678,460 -0.656,461 0.5,462 -0.675,463 1.829,464 -0.024,465 -1,466 -1.343,468 -2.347,469 -0.972,470 11.133,471 0.506,472 0.503,473 0.023,474 31.25,475 1.42,476 17,477 0.773,478 14.25,479 0.648,480 15.259,481 0.694,482 21.867,483 0.663,484 20.375,485 0.926,486 6.34,487 0.288,488 4.329,489 0.197,490 0.195,492 0.314,497 0.77,498 1.191,499 0.463,500 0.828,501 0.622,502 0.79,503 0.931,504 0.931,505 0.588,506 0.681,507 0.656,508 0.718,509 0.934,510 1.125,511 1.024,512 1.018,513 0.788,514 0.999,515 1.039,516 1.119,517 1.169,518 1.19,519 0.951,520 1.036,521 1.064,522 0.911,523 1.072,524 0.899,525 1.042,526 0.83,527 1.235,528 0.869,529 1.636,530 1.249,531 1.883,532 1.063,533 1.509,534 1.072,535 0.977,536 1.049,537 1.965,538 1.039,539 1.179,540 0.777,541 0.886,542 0.699,543 0.981,544 0.903,545 4.5,546 0.062,547 2.222,548 1.667,549 1.174,550 0.872,551 0.319,552 0.312,553 0.13,554 0.081,555 4993,556 17274,557 2.07,558 33.3,560 9,562 2,568 1.644,569 1.941,570 3.261,571 -0.717,573 1,575 1,578 57.656,579 1.747,580 3.7,581 4.427,582 4.84,583 4.9,584 4.9,585 2.777,586 4.278,587 4.428,588 3.388,589 782.691,590 7.602,591 8560.12,592 1,593 1,594 1,595 1,596 166.465,597 1.395,598 4.392,599 0.188,600 0.008,601 0.067,602 0.052,603 0.042,604 0.032,605 0.014,606 0.017,607 0.008,608 0.006,609 0.434,610 0.33,611 1,612 0.797,613 101.348,614 -0.053,615 -0.2,616 0.003,617 -0.085,618 -0.08,619 -0.034,620 0.049,621 0.082,622 0.019,623 0.135,624 0.067,625 0.099,626 -0.062,627 -0.146,628 -0.042,629 -0.076,630 0.025,631 -0.099,632 -0.014,633 -0.14,634 0.039,635 -0.161,636 -0.077,637 -0.068,638 -0.095,639 0.088,640 0.011,641 0.105,642 0.016,643 0.158,644 0.169,645 0.087,646 -0.171,647 -0.134,648 0.041,649 -0.121,650 -0.304,651 -0.137,652 -0.123,653 -0.128,654 -0.343,655 -0.167,656 -0.1,657 0.215,658 -0.01,659 0.239,660 -0.048,661 0.021,662 2.151,663 4.931,664 0.773,665 18.033,666 1.025,667 1.107,668 3.022,669 9.13,670 0.743,671 3.219,672 3.526,673 3.784,674 4.025,675 4.205,676 4.248,677 4.317,678 4.357,679 4.443,680 4.369,681 5.645,682 0.723,683 359.19,684 3.219,685 4.745,686 5.587,687 6.457,688 7.318,689 8.195,690 9.063,691 9.944,692 10.817,693 11.701,694 6.1,703 1,704 1,709 7,710 1,714 4,716 12,733 1,734 1,735 33,737 15,738 1,739 24,740 1,741 35,742 16,743 11,744 3,745 3,746 4,748 3,749 3,762 15,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 11,784 5,786 6,787 1,792 2,796 1,797 3,808 1,814 1,815 2,831 1,833 2,842 3,845 1,846 1,850 22,859 2,871 1,872 9.1,875 1,877 2,879 11.333,880 6.46,881 4.917,882 1.79,884 3.064,885 1.451,886 0.984,887 4.252,888 9.853,889 3.526,890 4.111,891 4.682,892 5.223,893 5.737,894 5.961,895 6.305,896 6.664,897 7.042,898 7.271,899 0.857,900 32,901 8.063,903 3.377,904 7.883,905 14.991,907 11.773,909 2.383,910 52.417,914 129.482,915 115.268,916 79.525,918 47.145,921 161.222,922 176.627,923 33.571,924 10.883,926 56.857,927 80.235,928 71.55,930 105.94,931 45.954,932 129.482,933 148.839,934 47.145,936 45.954,937 129.482,938 47.145,941 34.88,942 84.94,943 29.019,944 45.954,945 129.482,946 80.716,947 161.222,950 129.482,951 29.432,952 85.835,953 45.954,954 80.716,955 129.482,956 80.716,957 161.222,959 0.576,960 0.339,961 0.181,962 0.098,963 16,964 7,965 0.086,966 3,968 1,969 3.46,970 169.291,972 17,973 98.107,979 14.793,980 6.323,981 3.225,983 80.716,984 12.284,985 3.996,989 2.907,992 371.42,993 33,998 11.931,1000 1.639,1001 4.258,1002 0.016,1005 33.833,1006 36.542,1007 0.346,1008 0.733,1009 0.878,1010 0.959,1011 0.971,1012 0.971,1013 4.745,1014 1.174,1015 5.565,1016 3.073,1017 4.205,1018 4.796,1019 2.337,1020 6.354,1021 4.08,1022 5.957,1023 1,1024 7.111,1025 2.906,1026 3.761,1027 4.511,1029 7.195,1030 3.558,1031 7.262,1032 0.487,1033 8.755,1034 2.136,1035 5.778,1036 6.959,1037 3.121,1038 10.283,1039 5.556,1040 8.602,1041 -0.051,1042 10.456,1043 0.777,1044 6.155,1045 7.462,1047 11.95,1048 5.845,1049 9.971,1050 -0.189,1051 12.193,1052 -0.131,1053 7.633,1054 9.377,1055 4.132,1056 14.543,1057 7.306,1058 11.362,1059 -0.645,1060 13.956,1061 -0.424,1062 8.392,1063 10.267,1065 16.56,1066 7.972,1067 12.769,1068 -0.705,1069 15.738,1070 -1.517,1071 9.649,1072 11.932,1073 5.227,1074 18.977,1075 9.202,1076 3.107,1077 -1,1078 17.534,1079 -1.678,1080 10.591,1081 13.032,1083 21.153,1084 10.054,1085 2.781,1086 10.246,1087 19.341,1088 -2.347,1089 11.756,1090 14.567,1091 6.347,1092 23.503,1093 11.178,1094 2.457,1095 8.704,1096 21.157,1097 4.067,1098 12.787,1099 15.787,1101 25.753,1102 12.125,1103 2.258,1104 7.029,1105 22.98,1106 3.715,1107 13.917,1108 17.252,1109 7.474,1110 28.08,1111 13.204,1112 1.709,1113 6.636,1114 24.81,1115 3.344,1116 14.992,1117 18.541,1119 30.365,1120 14.199,1121 1.507,1122 4.895,1123 26.645,1124 2.936,1125 16.111,1126 19.969,1127 8.603,1128 32.685,1129 15.259,1130 1.202,1131 3.653,1132 28.484,1133 2.27,1134 17.208,1135 21.3,1137 34.988,1138 16.281,1139 4883,1140 9217,1141 16.008,1142 24.534,1143 35.983,1144 37.221,1145 36.785,1146 35.508,1147 35.363,1148 47.665,1149 7.074,1150 100.106,1151 32.912,1152 5.342,1153 5.79,1154 6.322,1155 5.1,1156 5.107,1157 7.067,1158 3.519,1159 17.194,1160 4.909,1161 10.011,1162 1.499,1163 1.551,1164 1.533,1165 1.479,1166 1.473,1167 1.986,1168 0.295,1169 4.171,1170 1.371,1171 3.987,1172 4.004,1173 6.88,1174 3.91,1175 7.433,1176 3.908,1177 3.867,1178 3.895,1179 3.92,1180 3.793,1181 4.969,1182 3.791,1183 3.641,1184 3.656,1185 3.771,1186 3.45,1187 4.878,1188 3.486,1189 3.25,1190 3.307,1191 3.595,1192 3.023,1193 4.734,1194 3.026,1195 2.985,1196 3.029,1197 3.082,1198 2.86,1199 4.306,1200 2.825,1201 2.87,1202 2.915,1203 2.871,1204 2.818,1205 3.984,1206 2.784,1207 2.818,1208 2.853,1209 2.728,1210 2.645,1211 3.786,1212 2.646,1213 2.752,1214 2.818,1215 2.619,1216 2.519,1217 3.766,1218 2.537,1219 0.186,1220 0.158,1221 0.272,1222 0.169,1223 0.129,1224 4.468,1225 0.169,1226 3.79,1227 0.073,1228 6.52,1229 0.427,1230 4.047,1231 0.121,1232 3.107,1233 4.067,1234 1.759,1235 10.246,1236 2.909,1237 1.892,1238 1.877,1239 1.969,1240 1.983,1241 1.091,1242 1.983,1243 1.855,1244 1.826,1245 1.936,1246 1.956,1247 1.009,1248 1.958,1249 1.416,1250 1.392,1251 1.571,1252 1.592,1253 0.58,1254 1.57,1255 1.231,1256 1.196,1257 1.511,1258 1.536,1259 0.546,1260 1.528,1261 1.031,1262 0.985,1263 1.146,1264 1.332,1265 0.21,1266 1.274,1267 0.872,1268 0.83,1269 1.069,1270 1.03,1271 0.175,1272 1.055,1273 0.836,1274 0.796,1275 1.064,1276 1.002,1277 0.08,1278 1.044,1279 0.691,1280 0.615,1281 0.945,1282 0.956,1284 0.958,1285 3.892,1287 5.198,1288 2.398,1289 6.698,1290 4.727,1291 8.281,1292 6.804,1293 9.907,1294 3.423,1295 1.587,1304 10.376,1312 23.846,1313 57.656,1314 122.1,1315 146.1,1316 159.71,1317 161.71,1318 161.71,1319 31.332,1320 6.789,1321 65.22,1322 65.22,1323 17,1324 12.236,1325 4,1326 3.322,1327 34.523,1328 74,1329 76,1330 0.233,1331 153.212,1332 270.37,1333 365.598,1334 7200,1335 3,1336 15.527,1337 0.706,1338 0.6,1339 16.527,1340 13.202,1341 10.669,1342 0.445,1343 0.301,1344 6.37,1345 9.654,1346 6.167,1347 5.126,1348 11.246,1349 7.23,1350 9.437,1351 0.286,1352 0.161,1353 10.179,1354 5.323,1355 7.973,1356 0.185,1357 0.085,1358 8.637,1359 3.671,1360 6.519,1361 0.119,1362 0.045,1363 7.291,1364 2.467,1365 5.042,1366 0.076,1367 0.023,1368 5.579,1369 1.536,1370 0.362,1371 75.803,1372 0.25,1373 21.754,1374 0.646,1375 114,1376 405.151,1377 192.833,1378 420.474,1379 559.2,1380 392,1381 133,1382 381.117,1383 179.828,1384 397.473,1385 580.07,1386 371,1387 6.804} {0 CHEMBL1091764,1 1.803,2 9.19,3 2.573,4 6.622,5 71.607,6 9.871,7 0.522,8 3.528,9 3.599,10 3.314,11 3.116,12 4.913,13 3.16,14 3.975,15 4.066,16 3.685,17 3.436,18 5.473,19 3.486,20 4.148,21 4.291,22 3.69,23 3.428,24 5.803,25 3.47,26 4.076,27 4.249,28 3.451,29 3.25,30 5.444,31 3.294,32 3.895,33 4.023,34 3.5,35 3.151,36 5.499,37 3.229,38 3.853,39 3.958,40 3.418,41 3.037,42 5.556,43 3.124,44 3.598,45 3.717,46 3.145,47 2.866,48 5.336,49 2.922,50 3.473,51 3.619,52 2.889,53 2.786,54 5.132,55 2.776,56 0.178,57 0.538,58 2.285,59 2.423,60 21.3,61 2.06,62 0.396,63 0.84,64 4.477,65 3.719,66 40.829,67 3.162,68 0.653,69 1.106,70 8.392,71 4.826,72 91.817,73 4.405,74 0.61,75 0.834,76 10.565,77 4.428,78 79.252,79 3.94,80 0.524,81 0.696,82 6.721,83 3.348,84 52.385,85 2.852,86 0.603,87 0.643,88 6.448,89 3.192,90 70.266,91 2.324,92 0.412,93 0.533,94 5.069,95 2.789,96 69.598,97 2.332,98 0.36,99 0.49,100 4.471,101 2.586,102 59.013,103 2.401,104 10,105 32,106 0.339,107 0.63,108 0.786,109 0.887,110 0.913,111 0.913,112 3.103,113 0.784,114 -4.68,115 -4.59,116 -4.32,119 51.7,135 1,138 1,142 5,143 2,144 2,145 2,158 2,172 6,174 2,175 5,183 4,187 1,188 9,196 2,200 6,208 1,212 1,213 5,221 3,224 2,225 3,233 4,239 1,247 4,253 2,261 3,266 1,274 1,278 527,279 14.085,280 14.085,281 14.085,282 14.085,283 14.085,284 12.061,285 9.392,286 8.318,287 14.402,288 11.35,289 11.35,290 11.35,291 11.35,292 11.35,293 8.319,294 8.699,295 3.993,296 11.913,297 3.055,298 1.504,299 0.676,300 0.138,303 3.781,307 1,308 1,309 414,310 2.121,313 57.232,314 140.185,321 1.533,322 36.311,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 48,334 193,335 4.429,336 3.784,337 6.352,338 4.013,339 3.063,340 4.01,341 1.759,342 9.782,343 2.906,344 4.179,345 3.3,346 5.989,347 3.744,348 2.785,349 3.735,350 0.918,351 8.48,352 2.674,353 3.892,354 2.946,355 5.723,356 3.462,357 2.5,358 3.389,360 7.543,361 2.394,362 3.644,363 2.551,364 5.286,365 3.236,366 2.263,367 2.977,369 6.68,370 2.169,371 3.003,372 2.125,373 4.295,374 2.484,375 1.525,376 2.151,378 3.841,379 1.456,380 2.849,381 2.006,382 4.138,383 2.353,384 1.414,385 1.954,387 3.577,388 1.313,389 2.815,390 1.685,391 4.026,392 2.211,393 1.255,394 1.848,396 3.438,397 1.183,398 2.629,399 1.388,400 3.572,401 2.124,402 1.191,403 1.573,405 2.912,406 1.098,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.5,414 2.136,415 0.953,416 1.414,417 0.824,418 2.819,419 0.983,420 0.108,421 0.131,423 0.239,424 0.091,425 1.255,426 0.662,427 2.668,428 0.874,429 -0.07,430 -0.088,432 -0.186,433 -0.066,434 0.897,435 -0.016,436 2.374,437 0.381,438 -0.594,439 -0.752,441 -1.474,442 -0.541,443 0.749,444 -0.134,445 2,446 0.292,447 -0.673,448 -1.016,450 -1.677,451 -0.652,452 0.5,453 -0.654,454 1.873,455 -0.022,456 -1,457 -1.245,459 -2.347,460 -0.926,461 0.475,462 -0.877,463 1.555,464 -0.046,465 -1,466 -1.5,468 -2.529,469 -0.974,470 9.538,471 0.454,472 0.541,473 0.026,474 30.25,475 1.44,476 16.5,477 0.786,478 13.75,479 0.655,480 11.733,481 0.559,482 21.662,483 0.747,484 21.615,485 1.029,486 6.46,487 0.308,488 3.671,489 0.175,490 0.095,492 0.367,495 2,497 0.613,498 0.894,499 0.524,500 0.955,501 0.551,502 0.803,503 0.663,504 0.97,505 0.689,506 1.015,507 0.618,508 0.934,509 0.852,510 1.016,511 0.935,512 1.131,513 0.813,514 1.106,515 1.203,516 0.899,517 1.152,518 0.867,519 1.032,520 0.91,521 0.882,522 0.733,523 0.827,524 0.897,525 0.83,526 0.845,527 1.114,528 0.772,529 1.057,530 0.882,531 1.292,532 0.934,533 1.036,534 0.995,535 0.962,536 1.014,537 1.079,538 0.986,539 0.82,540 1.024,541 1.161,542 1.094,543 0.818,544 1.26,545 4.5,546 0.066,547 2.444,548 1.292,549 1.214,550 0.619,551 0.456,552 0.249,553 0.074,554 0.102,555 4438,556 17555,557 2.074,558 27.6,560 6,562 2,568 1.63,569 1.938,570 3.201,571 -0.704,573 1,574 1,575 1,578 52.278,579 1.803,580 3.354,581 4.182,582 4.72,583 4.858,584 4.858,585 2.701,586 4.011,587 4.363,588 3.318,589 696.854,590 7.468,591 7378,592 1,593 1,595 1,596 140.881,597 1.418,598 4.322,599 0.196,600 0.008,601 0.076,602 0.043,603 0.051,604 0.025,605 0.021,606 0.015,607 0.006,608 0.009,609 0.449,610 0.67,611 1,612 0.61,613 95.007,614 -0.039,615 -0.09,616 0.025,617 -0.075,618 -0.056,619 -0.021,620 0.051,621 -0.124,622 -0.02,623 -0.13,624 0.005,625 -0.126,626 0.066,627 -0.031,628 -0.009,629 -0.175,630 0.112,631 -0.156,632 -0.253,633 -0.035,634 -0.081,635 0.098,636 -0.178,637 0.128,638 0.046,639 0.109,640 0.069,641 0.006,642 0.016,643 0.039,644 0.013,645 0.059,646 -0.13,647 0.039,648 -0.125,649 -0.086,650 -0.004,651 -0.098,652 -0.009,653 -0.034,654 0.076,655 -0.035,656 0.083,657 -0.074,658 -0.194,659 -0.098,660 0.145,661 -0.241,662 2.698,663 5.18,664 0.81,665 16.281,666 1.049,667 1.13,668 3.447,669 11.879,670 0.719,671 3.178,672 3.497,673 3.738,674 3.951,675 4.159,676 4.159,677 4.234,678 4.331,679 4.357,680 4.248,681 5.436,682 0.736,683 286.25,684 3.178,685 4.71,686 5.549,687 6.415,688 7.274,689 8.145,690 9.012,691 9.885,692 10.757,693 11.632,694 6.9,703 1,704 1,709 7,710 1,714 4,716 12,734 2,735 29,737 15,738 1,739 23,741 31,742 15,743 11,744 3,745 3,746 4,748 3,749 3,762 15,767 3,772 1,774 1,775 1,776 3,780 1,781 2,783 8,784 6,786 6,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,848 2,850 21,859 1,871 2,872 6.9,875 1,877 1,879 10.833,880 5.436,881 4.583,882 1.617,884 3.034,885 1.454,886 1.004,887 3.388,888 9.722,889 3.497,890 4.094,891 4.654,892 5.173,893 5.715,894 5.898,895 6.259,896 6.639,897 7.004,898 7.206,899 1,900 30,901 7.782,903 3.458,904 8.365,905 13.853,907 11.061,909 2.865,910 60.167,914 94.169,915 114.328,916 33.571,918 36.145,919 29.92,921 114.328,922 130.314,923 63.491,926 56.857,927 80.235,928 70.493,929 29.92,930 70.627,932 94.169,933 147.899,934 66.065,937 124.089,938 36.145,941 34.88,942 84,943 29.019,945 124.089,946 69.716,947 114.328,950 94.169,951 39.376,952 74.952,954 99.636,955 94.169,956 99.636,957 114.328,959 0.585,960 0.338,961 0.17,962 0.096,963 16,964 7,965 0.065,966 2,968 1,969 3.377,970 158.776,972 17,973 92.239,979 13.29,980 5.353,981 2.76,983 99.636,984 9.789,985 3.914,989 -1.137,992 308.133,993 32,998 11.721,1000 1.502,1001 3.994,1002 -0.643,1005 30.418,1006 32.756,1007 0.371,1008 0.69,1009 0.861,1010 0.972,1011 1,1012 1,1013 4.718,1014 1.191,1015 5.533,1016 3.438,1017 4.174,1018 4.779,1019 2.183,1020 6.315,1021 4.079,1022 5.939,1023 1,1024 7.079,1025 2.912,1026 3.761,1027 4.511,1029 7.125,1030 3.608,1031 7.245,1032 0.108,1033 8.721,1034 2.136,1035 5.746,1036 6.946,1037 3.072,1038 10.2,1039 5.566,1040 8.586,1041 -0.07,1042 10.418,1043 0.239,1044 6.133,1045 7.449,1047 11.809,1048 5.881,1049 9.954,1050 -0.594,1051 12.148,1052 -0.186,1053 7.596,1054 9.361,1055 4.119,1056 14.38,1057 7.324,1058 11.343,1059 -0.673,1060 13.901,1061 -1.474,1062 8.35,1063 10.24,1065 16.329,1066 8.002,1067 12.747,1068 -1,1069 15.669,1070 -1.677,1071 9.596,1072 11.903,1073 5.224,1074 18.71,1075 9.223,1076 3.063,1077 -1,1078 17.449,1079 -2.347,1080 10.524,1081 12.985,1083 20.819,1084 10.08,1085 2.785,1086 9.782,1087 19.237,1088 -2.529,1089 11.678,1090 14.517,1091 6.346,1092 23.126,1093 11.2,1094 2.5,1095 8.48,1096 21.032,1097 4.01,1098 12.691,1099 15.716,1101 25.313,1102 12.147,1103 2.263,1104 7.543,1105 22.832,1106 3.735,1107 13.809,1108 17.175,1109 7.474,1110 27.591,1111 13.223,1112 1.525,1113 6.68,1114 24.637,1115 3.389,1116 14.865,1117 18.444,1119 29.818,1120 14.218,1121 1.414,1122 3.841,1123 26.445,1124 2.977,1125 15.969,1126 19.863,1127 8.603,1128 32.088,1129 15.276,1130 1.255,1131 3.577,1132 28.257,1133 2.151,1134 17.048,1135 21.174,1137 34.336,1138 16.296,1139 4322,1140 8734,1141 15.315,1142 20.841,1143 34.881,1144 36.471,1145 35.239,1146 34.177,1147 34.208,1148 46.536,1149 5.354,1150 97.254,1151 32.471,1152 5.297,1153 5.784,1154 6.154,1155 5.062,1156 5.063,1157 7.01,1158 3.519,1159 16.445,1160 4.906,1161 9.695,1162 1.517,1163 1.586,1164 1.532,1165 1.486,1166 1.487,1167 2.023,1168 0.233,1169 4.228,1170 1.412,1171 3.989,1172 4.01,1173 3.962,1174 3.883,1175 8.24,1176 3.896,1177 3.869,1178 3.902,1179 3.822,1180 3.783,1181 8.161,1182 3.787,1183 3.64,1184 3.656,1185 3.615,1186 3.446,1187 7.433,1188 3.483,1189 3.047,1190 3.081,1191 3.01,1192 2.912,1193 4.946,1194 2.927,1195 2.902,1196 2.956,1197 2.839,1198 2.733,1199 4.829,1200 2.735,1201 2.881,1202 2.903,1203 2.794,1204 2.695,1205 4.406,1206 2.716,1207 2.753,1208 2.835,1209 2.619,1210 2.521,1211 3.984,1212 2.539,1213 2.506,1214 2.541,1215 2.463,1216 2.2,1217 3.786,1218 2.252,1219 0.193,1220 0.165,1221 0.276,1222 0.174,1223 0.133,1224 4.429,1225 0.174,1226 3.784,1227 0.076,1228 6.352,1229 0.425,1230 4.013,1231 0.126,1232 3.063,1233 4.01,1234 1.759,1235 9.782,1236 2.906,1237 1.887,1238 1.865,1239 1.972,1240 1.991,1241 1.055,1242 1.985,1243 1.853,1244 1.824,1245 1.947,1246 1.965,1247 1.007,1248 1.96,1249 1.414,1250 1.391,1251 1.514,1252 1.589,1253 0.548,1254 1.558,1255 1.106,1256 1.104,1257 1.168,1258 1.401,1259 0.208,1260 1.309,1261 0.859,1262 0.806,1263 1.067,1264 1.068,1265 0.101,1266 1.077,1267 0.838,1268 0.801,1269 1.063,1270 1.041,1271 0.062,1272 1.049,1273 0.693,1274 0.619,1275 0.945,1276 0.966,1278 0.963,1279 0.529,1280 0.484,1281 0.722,1282 0.811,1284 0.789,1285 3.85,1287 5.165,1288 2.398,1289 6.666,1290 4.727,1291 8.245,1292 6.804,1293 9.863,1297 26.066,1304 4.96,1312 21.346,1313 52.278,1314 97.272,1315 121.272,1316 136.881,1317 140.881,1318 140.881,1319 42.518,1320 6.688,1321 55.99,1322 55.99,1323 17,1324 12.172,1325 4,1326 3.322,1327 32.236,1328 69,1329 62,1330 0.236,1331 130.106,1332 237.14,1333 309.219,1334 6329,1335 6.9,1336 14.82,1337 0.706,1338 0.504,1339 13.079,1340 10.586,1341 10.131,1342 0.44,1343 0.261,1344 5.889,1345 9.594,1346 5.825,1347 4.801,1348 9.326,1349 6.013,1350 9.236,1351 0.289,1352 0.133,1353 8.107,1354 4.251,1355 7.751,1356 0.189,1357 0.068,1358 6.762,1359 2.775,1360 5.969,1361 0.117,1362 0.035,1363 5.557,1364 1.781,1365 4.863,1366 0.077,1367 0.018,1368 4.439,1369 1.135,1370 0.366,1371 64.82,1372 0.256,1373 20.861,1374 0.656,1375 110,1376 510.984,1377 127.746,1378 436.339,1379 570.26,1380 404,1381 128,1382 403.505,1383 145.576,1384 393.641,1385 576.51,1386 369,1387 6.461} {0 CHEMBL1091765,1 1.715,2 8.55,3 2.827,4 7.991,5 75.979,6 9.818,7 0.545,8 3.507,9 3.578,10 3.309,11 3.158,12 4.783,13 3.163,14 3.949,15 4.04,16 3.679,17 3.497,18 5.304,19 3.49,20 4.1,21 4.244,22 3.625,23 3.513,24 5.391,25 3.47,26 4.041,27 4.214,28 3.485,29 3.336,30 5.237,31 3.309,32 3.871,33 3.99,34 3.56,35 3.209,36 5.326,37 3.244,38 3.817,39 3.926,40 3.384,41 3.125,42 5.305,43 3.138,44 3.557,45 3.679,46 3.154,47 2.946,48 5.026,49 2.922,50 3.423,51 3.574,52 2.771,53 2.866,54 4.573,55 2.77,56 0.069,57 0.364,58 2.598,59 2.153,60 4.286,61 2.21,62 0.25,63 0.577,64 5.078,65 3.416,66 17.816,67 3.472,68 0.25,69 0.662,70 10.953,71 4.696,72 20.529,73 5.192,74 0.319,75 0.633,76 12.076,77 4.557,78 31.331,79 4.664,80 0.315,81 0.527,82 8.978,83 3.368,84 19.785,85 3.079,86 0.362,87 0.474,88 7.006,89 3.216,90 39.292,91 2.471,92 0.233,93 0.352,94 6.07,95 2.738,96 28.473,97 2.602,98 0.146,99 0.319,100 5.759,101 2.521,102 16.259,103 2.693,104 5,105 30,106 0.322,107 0.602,108 0.786,109 0.9,110 0.913,111 0.913,112 3.058,113 0.857,114 -4.41,115 -4.34,116 -4.09,119 51.7,135 1,138 1,142 6,143 2,144 1,145 2,158 2,172 7,174 2,175 5,183 8,187 1,188 9,196 5,200 6,208 2,212 1,213 9,221 3,224 2,225 3,233 4,239 3,247 6,253 2,261 5,266 1,274 3,278 460,279 13.585,280 13.585,281 13.585,282 13.585,283 13.585,284 11.614,285 8.79,286 8.185,287 13.933,288 10.899,289 10.899,290 10.899,291 10.899,292 10.899,293 7.939,294 8.403,295 3.954,296 11.502,297 3.143,298 1.657,299 0.673,300 0.069,303 3.738,304 1,307 1,308 1,309 369,310 2,313 53.148,314 131.591,321 1.495,322 20.819,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 43.333,334 171,335 4.413,336 3.783,337 6.339,338 3.999,339 3.049,340 3.944,341 1.759,342 9.751,343 2.89,344 4.076,345 3.08,346 5.89,347 3.646,348 2.669,349 3.639,350 0.918,351 8.241,352 2.604,353 3.823,354 2.805,355 5.297,356 3.387,357 2.418,358 3.309,360 6.786,361 2.342,362 3.495,363 2.55,364 5.007,365 3.012,366 2.104,367 2.784,369 5.883,370 1.835,371 3.002,372 2.011,373 4.196,374 2.482,375 1.523,376 2.148,378 3.734,379 1.453,380 2.847,381 1.703,382 4.11,383 2.271,384 1.323,385 1.921,387 3.422,388 1.207,389 2.67,390 1.392,391 3.572,392 2.148,393 1.196,394 1.647,396 2.913,397 1.124,398 2.539,399 1.167,400 3.47,401 1.994,402 1.029,403 1.5,405 2.483,406 0.985,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.485,414 2.136,415 0.953,416 1.302,417 0.789,418 2.81,419 0.891,420 -0.063,421 -0.081,423 -0.169,424 -0.06,425 0.947,426 0.208,427 2.517,428 0.46,429 -0.398,430 -0.503,432 -0.885,433 -0.254,434 0.895,435 -0.046,436 2,437 0.361,438 -0.617,439 -0.814,441 -1.486,442 -0.595,443 0.699,444 -0.597,445 1.873,446 0.232,447 -0.727,448 -1.068,450 -1.945,451 -0.699,452 0.5,453 -0.75,454 1.712,455 -0.024,456 -1,457 -1.5,459 -2.347,460 -0.973,461 0.446,462 -1,463 1.555,464 -0.093,465 -1.082,466 -1.538,468 -2.713,469 -1.06,470 9.681,471 0.484,472 0.452,473 0.023,474 29.5,475 1.475,476 16.5,477 0.825,478 13,479 0.65,480 11.295,481 0.565,482 19.719,483 0.68,484 19.279,485 0.964,486 6.111,487 0.306,488 3.61,489 0.18,490 0.108,492 0.31,497 0.68,498 1.126,499 0.5,500 0.859,501 0.589,502 0.762,503 0.642,504 1.082,505 0.653,506 0.894,507 0.566,508 0.891,509 0.854,510 1.157,511 1.049,512 1.164,513 0.788,514 1.12,515 1.317,516 0.957,517 0.95,518 0.839,519 1.056,520 0.85,521 1.19,522 0.997,523 0.891,524 1.077,525 1.102,526 0.878,527 1.853,528 0.841,529 0.978,530 0.756,531 2.341,532 0.858,533 1.194,534 0.896,535 0.897,536 1.006,537 1.568,538 1,539 0.992,540 1.033,541 1.252,542 1.124,543 1.199,544 1.285,545 4,546 0.033,547 1.778,548 1.229,549 1.023,550 0.508,551 0.408,552 0.146,553 0.058,554 0.063,555 3923,556 13580,557 2.107,558 31,560 7,562 2,568 1.616,569 2,570 3.119,571 -0.738,573 1,575 1,578 49.749,579 1.715,580 3.201,581 4.185,582 4.789,583 4.858,584 4.858,585 2.546,586 3.822,587 4.293,588 3.246,589 616.671,590 7.329,591 6302.75,592 1,593 1,594 1,595 1,596 140.881,597 1.295,598 4.266,599 0.182,600 0.005,601 0.059,602 0.046,603 0.044,604 0.021,605 0.02,606 0.01,607 0.005,608 0.006,609 0.399,610 0.67,611 1,612 0.548,613 88.69,614 -0.04,615 -0.161,616 0.016,617 -0.071,618 -0.082,619 -0.019,620 0.178,621 -0.082,622 -0.013,623 -0.066,624 0.09,625 -0.11,626 -0.009,627 -0.196,628 -0.106,629 -0.22,630 0.029,631 -0.167,632 -0.224,633 0.044,634 0.02,635 0.157,636 -0.138,637 0.165,638 0.063,639 0.039,640 0.039,641 -0.169,642 0.091,643 -0.032,644 -0.273,645 0.15,646 -0.135,647 0.183,648 -0.334,649 -0.024,650 -0.009,651 0.001,652 0.03,653 -0.028,654 0.062,655 -0.058,656 -0.199,657 -0.138,658 -0.292,659 -0.138,660 -0.285,661 -0.274,662 2.149,663 4.789,664 0.85,665 14.8,666 1.025,667 1.104,668 3.179,669 10.103,670 0.753,671 3.135,672 3.434,673 3.664,674 3.912,675 4.094,676 4.06,677 4.159,678 4.22,679 4.22,680 4.159,681 5.213,682 0.738,683 284.71,684 3.135,685 4.654,686 5.485,687 6.347,688 7.198,689 8.066,690 8.926,691 9.797,692 10.662,693 11.535,694 6.9,703 1,704 1,709 8,710 1,714 3,716 12,734 1,735 29,737 15,738 1,739 22,741 31,742 15,743 11,744 2,745 4,746 4,748 3,749 3,750 1,762 15,767 3,772 1,774 1,775 1,776 3,780 1,783 9,784 4,786 5,787 1,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,847 1,850 20,859 1,871 1,872 6.9,875 1,877 1,879 10,880 5.376,881 4.389,882 1.63,884 3.026,885 1.46,886 0.999,887 3.421,888 9.604,889 3.466,890 4.043,891 4.595,892 5.134,893 5.658,894 5.795,895 6.205,896 6.556,897 6.921,898 7.133,899 0.833,900 27,901 7.325,903 3.111,904 7.931,905 13.572,907 10.796,909 2.431,910 48.611,914 105.94,915 109.063,916 33.571,917 39.149,918 36.145,921 109.063,922 181.233,923 33.571,926 66.334,927 80.235,928 55.752,930 82.398,931 39.149,932 105.94,933 142.634,934 36.145,935 39.149,937 105.94,938 36.145,941 34.88,942 78.735,943 68.167,945 105.94,946 69.716,947 148.212,950 105.94,951 24.634,952 84.429,954 108.865,955 105.94,956 69.716,957 148.212,959 0.576,960 0.326,961 0.177,962 0.099,963 15,964 6,965 0.065,966 2,968 1,969 3.323,970 147.676,972 17,973 86.439,979 12.733,980 5.374,981 2.849,983 69.716,984 13.925,985 3.978,989 2.016,992 323.867,993 31,998 11.789,1000 1.632,1001 4.195,1002 0.018,1005 29.716,1006 32.02,1007 0.353,1008 0.659,1009 0.862,1010 0.986,1011 1,1012 1,1013 4.673,1014 1.029,1015 5.451,1016 2.913,1017 4.111,1018 4.727,1019 2.183,1020 6.213,1021 4.009,1022 5.879,1023 1,1024 6.974,1025 2.483,1026 3.611,1027 4.35,1029 6.969,1030 3.43,1031 7.172,1032 -0.063,1033 8.595,1034 2.136,1035 5.652,1036 6.864,1037 3.072,1038 10.059,1039 5.467,1040 8.499,1041 -0.398,1042 10.273,1043 -0.169,1044 5.969,1045 7.267,1047 11.655,1048 5.71,1049 9.855,1050 -0.617,1051 11.987,1052 -0.885,1053 7.473,1054 9.243,1055 4.119,1056 14.23,1057 7.205,1058 11.233,1059 -0.727,1060 13.727,1061 -1.486,1062 8.181,1063 10.039,1065 16.187,1066 7.842,1067 12.627,1068 -1,1069 15.486,1070 -1.945,1071 9.449,1072 11.746,1073 5.224,1074 18.57,1075 9.09,1076 3.049,1077 -1.082,1078 17.259,1079 -2.347,1080 10.352,1081 12.764,1083 20.69,1084 9.925,1085 2.669,1086 9.751,1087 19.042,1088 -2.713,1089 11.517,1090 14.321,1091 6.346,1092 22.999,1093 11.059,1094 2.418,1095 8.241,1096 20.834,1097 3.944,1098 12.518,1099 15.47,1101 25.197,1102 11.994,1103 2.104,1104 6.786,1105 22.633,1106 3.639,1107 13.641,1108 16.942,1109 7.474,1110 27.478,1111 13.076,1112 1.523,1113 5.883,1114 24.438,1115 3.309,1116 14.692,1117 18.172,1119 29.713,1120 14.064,1121 1.323,1122 3.734,1123 26.248,1124 2.784,1125 15.798,1126 19.594,1127 8.603,1128 31.985,1129 15.123,1130 1.196,1131 3.422,1132 28.061,1133 2.148,1134 16.875,1135 20.873,1137 34.238,1138 16.139,1139 3798,1140 7188,1141 14.909,1142 21.824,1143 33.364,1144 34.218,1145 33.328,1146 32.772,1147 32.62,1148 44.755,1149 5.354,1150 90.694,1151 30.788,1152 5.28,1153 5.783,1154 6.141,1155 5.047,1156 5.049,1157 6.944,1158 3.519,1159 16.386,1160 4.89,1161 7.578,1162 1.517,1163 1.555,1164 1.515,1165 1.49,1166 1.483,1167 2.034,1168 0.243,1169 4.122,1170 1.399,1171 3.982,1172 4.003,1173 4.025,1174 3.894,1175 7.433,1176 3.898,1177 3.862,1178 3.893,1179 3.86,1180 3.789,1181 4.999,1182 3.788,1183 3.633,1184 3.648,1185 3.652,1186 3.451,1187 4.904,1188 3.484,1189 3.027,1190 3.064,1191 3.29,1192 2.928,1193 4.754,1194 2.925,1195 2.882,1196 2.922,1197 2.908,1198 2.791,1199 4.271,1200 2.766,1201 2.865,1202 2.887,1203 2.797,1204 2.698,1205 3.99,1206 2.709,1207 2.752,1208 2.833,1209 2.619,1210 2.521,1211 3.786,1212 2.539,1213 2.491,1214 2.532,1215 2.42,1216 2.2,1217 3.608,1218 2.249,1219 0.201,1220 0.172,1221 0.288,1222 0.182,1223 0.139,1224 4.413,1225 0.179,1226 3.783,1227 0.08,1228 6.339,1229 0.443,1230 3.999,1231 0.131,1232 3.049,1233 3.944,1234 1.759,1235 9.751,1236 2.89,1237 1.896,1238 1.875,1239 1.981,1240 1.983,1241 1.078,1242 1.986,1243 1.856,1244 1.826,1245 1.959,1246 1.954,1247 1.008,1248 1.961,1249 1.415,1250 1.391,1251 1.515,1252 1.588,1253 0.55,1254 1.559,1255 1.123,1256 1.117,1257 1.221,1258 1.39,1259 0.274,1260 1.32,1261 0.867,1262 0.824,1263 1.066,1264 1.041,1265 0.151,1266 1.06,1267 0.839,1268 0.806,1269 1.064,1270 1.009,1271 0.083,1272 1.046,1273 0.695,1274 0.621,1275 0.946,1276 0.962,1278 0.966,1279 0.556,1280 0.5,1281 0.79,1282 0.798,1284 0.819,1285 3.807,1287 5.106,1288 2.398,1289 6.592,1290 4.727,1291 8.156,1292 6.804,1293 9.76,1296 5.907,1304 5.151,1312 21.407,1313 49.749,1314 92.842,1315 121.372,1316 138.881,1317 140.881,1318 140.881,1319 26.808,1320 6.578,1321 55.99,1322 55.99,1323 17,1324 12.078,1325 4,1326 3.322,1327 29.989,1328 63,1329 56,1330 0.241,1331 136.043,1332 240.21,1333 323.704,1334 5542,1335 3.4,1336 13.949,1337 0.697,1338 0.552,1339 14.449,1340 11.041,1341 9.72,1342 0.442,1343 0.286,1344 5.864,1345 9.096,1346 5.724,1347 4.741,1348 10.009,1349 6.286,1350 8.74,1351 0.291,1352 0.152,1353 9.149,1354 4.569,1355 7.089,1356 0.187,1357 0.077,1358 7.351,1359 2.915,1360 5.861,1361 0.12,1362 0.04,1363 6.114,1364 1.964,1365 4.668,1366 0.079,1367 0.021,1368 4.882,1369 1.233,1370 0.372,1371 63.8,1372 0.259,1373 19.972,1374 0.673,1375 104,1376 356.965,1377 129.603,1378 374.277,1379 498.23,1380 348,1381 120,1382 342.701,1383 140.012,1384 356,1385 518.85,1386 334,1387 6.444} {0 CHEMBL1091766,1 1.686,2 9.19,3 3.397,4 11.54,5 83.838,6 10.725,7 0.522,8 3.588,9 3.667,10 3.473,11 3.25,12 4.814,13 3.233,14 4.048,15 4.162,16 3.894,17 3.606,18 5.322,19 3.574,20 4.188,21 4.325,22 3.99,23 3.682,24 5.436,25 3.606,26 4.225,27 4.407,28 3.649,29 3.544,30 5.33,31 3.451,32 4.019,33 4.174,34 3.617,35 3.349,36 5.321,37 3.343,38 4.011,39 4.15,40 3.753,41 3.235,42 5.425,43 3.249,44 3.703,45 3.833,46 3.482,47 3.164,48 4.984,49 3.093,50 3.618,51 3.761,52 3.393,53 3.038,54 4.891,55 2.942,56 0.043,57 0.398,58 1.999,59 2.521,60 4.293,61 2.755,62 0.236,63 0.643,64 5.939,65 4.29,66 20.593,67 4.736,68 0.173,69 0.73,70 11.936,71 5.631,72 18.489,73 6.123,74 0.305,75 0.749,76 34.281,77 7.014,78 30.49,79 6.913,80 0.182,81 0.641,82 7.727,83 4.296,84 17.675,85 4.543,86 0.471,87 0.594,88 12.295,89 4.246,90 46.813,91 3.191,92 0.138,93 0.418,94 5.459,95 3.461,96 18.821,97 3.46,98 0.197,99 0.386,100 7.124,101 3.314,102 27.24,103 3.139,104 10,105 32,106 0.311,107 0.666,108 0.804,109 0.883,110 0.894,111 0.894,112 3.103,113 0.928,114 -4.77,115 -4.68,116 -4.4,117 1,119 50,120 1,135 1,138 1,142 5,143 3,144 1,145 2,158 2,172 8,174 2,175 5,183 9,187 1,188 9,196 8,200 8,208 3,212 1,213 7,221 3,224 2,225 6,233 5,239 2,247 6,253 3,261 6,266 2,274 4,278 527,279 14.085,280 14.085,281 14.085,282 14.085,283 14.085,284 12.061,285 9.904,286 8.318,287 14.429,288 11.35,289 11.35,290 11.35,291 11.35,292 11.35,293 8.319,294 9.147,295 3.993,296 11.977,297 3.314,298 1.386,299 0.636,300 0.211,301 0.149,302 0.149,303 3.781,306 1,307 1,308 1,309 414,310 2.121,313 57.232,314 140.185,321 1.533,322 19.144,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 44.75,334 193,335 4.429,336 3.784,337 6.352,338 4.014,339 3.063,340 4.01,341 1.759,342 9.782,343 2.907,344 4.179,345 3.178,346 5.989,347 3.745,348 2.785,349 3.735,350 0.918,351 8.48,352 2.674,353 3.892,354 2.922,355 5.723,356 3.46,357 2.5,358 3.389,360 7.543,361 2.387,362 3.644,363 2.551,364 5.286,365 3.231,366 2.263,367 2.977,369 6.68,370 2.139,371 3.003,372 2.037,373 4.295,374 2.484,375 1.525,376 2.151,378 3.841,379 1.456,380 2.849,381 1.834,382 4.138,383 2.374,384 1.414,385 1.954,387 3.577,388 1.326,389 2.815,390 1.631,391 4.026,392 2.199,393 1.255,394 1.848,396 3.438,397 1.146,398 2.629,399 1.387,400 3.572,401 2.12,402 1.191,403 1.573,405 2.912,406 1.072,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.5,414 2.136,415 0.953,416 1.414,417 0.821,418 2.819,419 0.958,420 0.108,421 0.131,423 0.239,424 0.068,425 1.255,426 0.599,427 2.668,428 0.874,429 -0.07,430 -0.088,432 -0.186,433 -0.065,434 0.897,435 -0.051,436 2.374,437 0.403,438 -0.594,439 -0.752,441 -1.474,442 -0.562,443 0.749,444 -0.342,445 2,446 0.313,447 -0.673,448 -1.016,450 -1.677,451 -0.637,452 0.5,453 -0.655,454 1.873,455 -0.023,456 -1,457 -1.245,459 -2.347,460 -0.791,461 0.475,462 -0.879,463 1.555,464 -0.06,465 -1,466 -1.5,468 -2.529,469 -0.973,470 10.8,471 0.514,472 0.541,473 0.026,474 29.75,475 1.417,476 16.5,477 0.786,478 13.25,479 0.631,480 14.771,481 0.703,482 20.4,483 0.638,484 18.578,485 0.885,486 5.896,487 0.281,488 4.235,489 0.202,490 0.201,492 0.324,497 0.69,498 1.117,499 0.462,500 0.771,501 0.598,502 0.768,503 0.61,504 0.975,505 0.566,506 0.73,507 0.536,508 0.772,509 0.773,510 1.184,511 0.986,512 1.081,513 0.697,514 1.089,515 1.328,516 0.998,517 1.597,518 1.261,519 1.014,520 1.117,521 1.231,522 1.115,523 0.379,524 0.827,525 1.064,526 0.856,527 2.072,528 0.738,529 0.662,530 0.733,531 2.305,532 0.759,533 1.331,534 0.97,535 0.822,536 0.915,537 1.741,538 1.005,539 1.233,540 1.017,541 0.879,542 1.039,543 1.996,544 1.17,545 4.5,546 0.066,547 2.444,548 1.292,549 1.214,550 0.619,551 0.456,552 0.249,553 0.074,554 0.103,555 4438,556 14837,557 2.074,558 34.4,559 3,560 6,562 2,568 1.63,569 1.938,570 3.201,571 -0.75,573 1,575 1,578 53.946,579 1.686,580 3.614,581 4.364,582 4.789,583 4.851,584 4.851,585 2.701,586 4.011,587 4.363,588 3.318,589 696.854,590 7.468,591 7378,592 1,593 1,594 1,595 1,596 160,597 1.418,598 4.322,599 0.196,600 0.008,601 0.076,602 0.043,603 0.051,604 0.025,605 0.021,606 0.015,607 0.006,608 0.009,609 0.449,610 0.5,611 1,612 0.61,613 95.007,614 -0.028,615 -0.148,616 0.002,617 -0.051,618 -0.077,619 -0.014,620 0.239,621 0.026,622 0.03,623 0.065,624 0.139,625 0.05,626 0.033,627 -0.22,628 -0.036,629 -0.155,630 0.081,631 -0.178,632 -0.237,633 -0.027,634 -0.242,635 -0.158,636 -0.144,637 -0.086,638 -0.056,639 -0.089,640 0.041,641 -0.044,642 0.08,643 0.013,644 -0.156,645 0.306,646 0.038,647 0.152,648 -0.238,649 0.082,650 -0.197,651 -0.069,652 0.006,653 0.011,654 -0.161,655 -0.089,656 -0.134,657 -0.115,658 0.018,659 -0.085,660 -0.318,661 -0.223,662 2.116,663 4.879,664 0.81,665 16.281,666 1.016,667 1.104,668 3.541,669 12.54,670 0.752,671 3.178,672 3.497,673 3.738,674 3.951,675 4.159,676 4.159,677 4.234,678 4.331,679 4.357,680 4.248,681 5.436,682 0.723,683 343.19,684 3.178,685 4.71,686 5.549,687 6.415,688 7.274,689 8.145,690 9.012,691 9.885,692 10.757,693 11.632,694 6.3,703 1,704 1,709 7,710 1,714 4,716 12,734 1,735 32,737 15,738 1,739 23,740 1,741 34,742 16,743 11,744 3,745 3,746 4,748 3,749 3,754 1,762 15,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 11,784 4,786 5,787 1,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,845 1,846 1,850 21,859 1,871 1,872 6.3,875 1,877 1,879 10.833,880 6.293,881 4.583,882 1.832,884 3.034,885 1.454,886 0.999,887 3.781,888 9.722,889 3.497,890 4.094,891 4.654,892 5.173,893 5.715,894 5.898,895 6.259,896 6.639,897 7.004,898 7.206,899 1,900 30,901 7.708,903 3.246,904 7.829,905 14.456,907 11.528,909 2.329,910 48.917,914 129.482,915 111.152,916 79.525,918 36.145,921 157.106,922 165.627,923 33.571,924 8.825,926 56.857,927 80.235,928 58.492,930 105.94,931 45.954,932 129.482,933 144.723,934 36.145,936 45.954,937 129.482,938 36.145,941 43.706,942 71.999,943 29.019,944 45.954,945 129.482,946 69.716,947 157.106,950 129.482,951 27.375,952 83.778,953 45.954,954 69.716,955 129.482,956 69.716,957 157.106,959 0.585,960 0.338,961 0.17,962 0.096,963 16,964 7,965 0.059,966 2,968 1,969 3.377,970 158.776,972 17,973 92.239,979 13.872,980 5.724,981 2.994,983 69.716,984 12.676,985 4,989 3.637,992 356.304,993 32,998 11.879,1000 1.661,1001 4.268,1002 0.152,1005 32.505,1006 35.333,1007 0.337,1008 0.723,1009 0.873,1010 0.958,1011 0.97,1012 0.97,1013 4.718,1014 1.191,1015 5.533,1016 3.438,1017 4.174,1018 4.779,1019 2.183,1020 6.315,1021 4.072,1022 5.939,1023 1,1024 7.079,1025 2.912,1026 3.761,1027 4.511,1029 7.125,1030 3.591,1031 7.245,1032 0.108,1033 8.721,1034 2.136,1035 5.746,1036 6.946,1037 3.072,1038 10.2,1039 5.56,1040 8.586,1041 -0.07,1042 10.418,1043 0.239,1044 6.133,1045 7.449,1047 11.809,1048 5.868,1049 9.954,1050 -0.594,1051 12.148,1052 -0.186,1053 7.596,1054 9.361,1055 4.119,1056 14.38,1057 7.319,1058 11.343,1059 -0.673,1060 13.901,1061 -1.474,1062 8.35,1063 10.24,1065 16.329,1066 7.994,1067 12.747,1068 -1,1069 15.669,1070 -1.677,1071 9.596,1072 11.903,1073 5.224,1074 18.71,1075 9.219,1076 3.063,1077 -1,1078 17.449,1079 -2.347,1080 10.524,1081 12.985,1083 20.819,1084 10.075,1085 2.785,1086 9.782,1087 19.237,1088 -2.529,1089 11.678,1090 14.517,1091 6.346,1092 23.126,1093 11.197,1094 2.5,1095 8.48,1096 21.032,1097 4.01,1098 12.691,1099 15.716,1101 25.313,1102 12.146,1103 2.263,1104 7.543,1105 22.832,1106 3.735,1107 13.809,1108 17.175,1109 7.474,1110 27.591,1111 13.223,1112 1.525,1113 6.68,1114 24.637,1115 3.389,1116 14.865,1117 18.444,1119 29.818,1120 14.219,1121 1.414,1122 3.841,1123 26.445,1124 2.977,1125 15.969,1126 19.863,1127 8.603,1128 32.088,1129 15.278,1130 1.255,1131 3.577,1132 28.257,1133 2.151,1134 17.048,1135 21.174,1137 34.336,1138 16.3,1139 4322,1140 8020,1141 15.315,1142 24.08,1143 34.881,1144 36.24,1145 35.239,1146 34.211,1147 34.208,1148 46.536,1149 5.354,1150 97.254,1151 32.256,1152 5.297,1153 5.784,1154 6.154,1155 5.064,1156 5.063,1157 7.01,1158 3.519,1159 16.445,1160 4.907,1161 9.695,1162 1.517,1163 1.576,1164 1.532,1165 1.487,1166 1.487,1167 2.023,1168 0.233,1169 4.228,1170 1.402,1171 3.993,1172 4.013,1173 6.88,1174 3.927,1175 7.433,1176 3.92,1177 3.872,1178 3.904,1179 3.93,1180 3.8,1181 4.956,1182 3.799,1183 3.645,1184 3.662,1185 3.776,1186 3.467,1187 4.852,1188 3.497,1189 3.177,1190 3.254,1191 3.57,1192 3.057,1193 4.603,1194 3.036,1195 3.006,1196 3.045,1197 3.001,1198 2.93,1199 4.003,1200 2.892,1201 2.873,1202 2.888,1203 2.871,1204 2.738,1205 3.873,1206 2.733,1207 2.752,1208 2.834,1209 2.74,1210 2.524,1211 3.787,1212 2.54,1213 2.535,1214 2.614,1215 2.619,1216 2.376,1217 3.671,1218 2.301,1219 0.193,1220 0.165,1221 0.276,1222 0.175,1223 0.133,1224 4.429,1225 0.174,1226 3.784,1227 0.076,1228 6.352,1229 0.425,1230 4.014,1231 0.126,1232 3.063,1233 4.01,1234 1.759,1235 9.782,1236 2.907,1237 1.921,1238 1.902,1239 1.996,1240 1.99,1241 1.154,1242 2,1243 1.858,1244 1.827,1245 1.963,1246 1.965,1247 1.01,1248 1.97,1249 1.419,1250 1.393,1251 1.561,1252 1.59,1253 0.628,1254 1.565,1255 1.251,1256 1.21,1257 1.504,1258 1.478,1259 0.542,1260 1.486,1261 1.056,1262 1.022,1263 1.148,1264 1.3,1265 0.236,1266 1.264,1267 0.84,1268 0.807,1269 1.065,1270 1.033,1271 0.085,1272 1.05,1273 0.698,1274 0.627,1275 0.948,1276 0.963,1278 0.969,1279 0.613,1280 0.539,1281 0.909,1282 0.856,1284 0.889,1285 3.85,1287 5.165,1288 2.398,1289 6.666,1290 4.727,1291 8.245,1292 6.804,1293 9.863,1294 3.44,1295 1.97,1304 5.234,1312 23.132,1313 53.946,1314 115.635,1315 139.635,1316 153.245,1317 155.245,1318 155.245,1319 28.655,1320 6.688,1321 55.99,1322 55.99,1323 17,1324 12.172,1325 4,1326 3.322,1327 32.236,1328 69,1329 62,1330 0.236,1331 149.216,1332 261.58,1333 355.847,1334 6329,1335 3.1,1336 14.82,1337 0.706,1338 0.609,1339 15.82,1340 12.794,1341 10.131,1342 0.44,1343 0.309,1344 6.299,1345 9.273,1346 6.07,1347 5.054,1348 10.708,1349 7.117,1350 9.236,1351 0.289,1352 0.17,1353 9.978,1354 5.441,1355 7.751,1356 0.189,1357 0.095,1358 8.609,1359 3.903,1360 5.969,1361 0.117,1362 0.043,1363 6.272,1364 2.176,1365 4.863,1366 0.077,1367 0.024,1368 5.252,1369 1.495,1370 0.366,1371 71.46,1372 0.256,1373 20.861,1374 0.656,1375 110,1376 357.416,1377 185.955,1378 382.956,1379 511.34,1380 356,1381 128,1382 350.572,1383 172.17,1384 368.515,1385 537.75,1386 345,1387 6.555} {0 CHEMBL1091784,1 1.872,2 8.619,3 3.405,4 11.594,5 88.387,6 14.159,7 0.522,8 3.51,9 3.57,10 3.634,11 3.265,12 4.785,13 3.217,14 3.951,15 4.03,16 4.104,17 3.647,18 5.312,19 3.567,20 4.105,21 4.227,22 4.139,23 3.729,24 5.411,25 3.59,26 4.054,27 4.184,28 4.079,29 3.565,30 5.339,31 3.443,32 3.909,33 4.025,34 4.508,35 3.469,36 5.32,37 3.391,38 3.822,39 3.91,40 3.937,41 3.325,42 5.377,43 3.248,44 3.609,45 3.715,46 3.803,47 3.118,48 5.071,49 3.01,50 3.338,51 3.461,52 3.387,53 3.082,54 4.49,55 2.895,56 0.074,57 0.338,58 4.103,59 1.639,60 4.749,61 1.862,62 0.254,63 0.558,64 7.457,65 3.048,66 18.662,67 3.002,68 0.247,69 0.674,70 34.595,71 6.225,72 21.142,73 5.212,74 0.379,75 0.617,76 28.077,77 5.911,78 31.76,79 4.954,80 0.229,81 0.572,82 27.166,83 5.393,84 18.174,85 3.437,86 0.365,87 0.496,88 7.245,89 3.627,90 39.185,91 2.264,92 0.289,93 0.386,94 9.694,95 3.766,96 32.372,97 2.474,98 0.083,99 0.288,100 16.402,101 2.925,102 8.494,103 2.692,104 10,105 32,106 0.352,107 0.656,108 0.799,109 0.861,110 0.861,111 0.861,112 3.103,113 0.974,114 -5.16,115 -5.05,116 -4.73,119 51.7,135 1,138 1,142 5,143 2,144 2,145 2,158 2,172 5,174 2,175 5,183 9,187 1,188 6,196 6,200 10,208 1,213 9,221 3,224 1,225 2,233 5,238 2,239 2,247 6,253 1,261 6,266 1,274 4,278 521,279 14.085,280 14.085,281 14.085,282 14.085,283 14.085,284 12.061,285 10.551,286 8.36,287 14.641,288 11.366,289 11.366,290 11.366,291 11.366,292 11.366,293 8.328,294 9.782,295 4.025,296 12.387,297 2.986,298 1.366,299 0.607,300 0.276,301 0.276,302 0.276,303 3.781,304 1,307 1,308 1,309 388,310 2.121,313 55.304,314 138.773,321 1.483,322 21.635,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 44.733,334 181,335 4.471,336 3.791,337 6.526,338 4.049,339 3.11,340 4.069,341 1.759,342 10.273,343 2.908,344 4.168,345 3.258,346 6.049,347 3.73,348 2.769,349 3.707,350 0.918,351 8.696,352 2.641,353 3.838,354 2.719,355 5.319,356 3.407,357 2.435,358 3.326,360 6.863,361 2.356,362 3.513,363 2.611,364 5.034,365 2.982,366 2.134,367 2.832,369 5.898,370 1.728,371 3.22,372 2.537,373 4.84,374 2.668,375 1.806,376 2.417,378 5.143,379 1.422,380 3,381 1.936,382 4.153,383 2.457,384 1.51,385 2.137,387 3.655,388 1.322,389 2.693,390 1.416,391 3.896,392 2.142,393 1.197,394 1.657,396 2.937,397 1.117,398 2.541,399 1.278,400 3.571,401 1.993,402 1.03,403 1.5,405 2.81,406 0.984,407 2.5,408 1,409 3.247,410 1.984,411 1,412 1.485,414 2.136,415 0.983,416 1.414,417 0.837,418 2.82,419 0.909,420 0.109,421 0.132,423 0.241,424 0.04,425 1.258,426 0.762,427 2.678,428 0.799,429 -0.07,430 -0.088,432 -0.185,433 -0.062,434 0.898,435 -0.032,436 2.367,437 0.375,438 -0.614,439 -0.789,441 -1.487,442 -0.252,443 0.699,444 -0.173,445 2,446 0.224,447 -0.716,448 -1.046,450 -1.92,451 -0.635,452 0.5,453 -0.638,454 1.873,455 -0.049,456 -1,457 -1.217,459 -2.347,460 -0.749,461 0.446,462 -0.78,463 1.555,464 -0.082,465 -1,466 -1.5,468 -2.46,469 -0.946,470 11.324,471 0.539,472 0.541,473 0.026,474 30,475 1.429,476 16.5,477 0.786,478 13.5,479 0.643,480 15.152,481 0.722,482 19.876,483 0.685,484 18.438,485 0.878,486 5.86,487 0.279,488 4.271,489 0.203,490 0.238,492 0.309,497 0.689,498 1.027,499 0.456,500 0.529,501 0.593,502 0.647,503 0.649,504 0.971,505 0.59,506 0.608,507 0.571,508 0.753,509 0.859,510 1.06,511 1.07,512 1.071,513 0.792,514 1.089,515 1.165,516 1.023,517 0.881,518 0.918,519 1.031,520 1.006,521 1.407,522 1.111,523 0.777,524 0.911,525 1.173,526 0.691,527 1.851,528 0.749,529 0.727,530 0.684,531 2.205,532 0.797,533 1.54,534 0.782,535 0.859,536 0.91,537 2.088,538 0.984,539 0.542,540 0.962,541 1.124,542 1.092,543 0.695,544 1.196,545 4.5,546 0.045,547 2.222,548 1.542,549 1.214,550 0.699,551 0.408,552 0.208,553 0.107,554 0.081,555 4326,556 16955,557 2.074,558 27.6,560 6,562 2,568 1.632,569 1.938,570 3.115,571 -0.704,573 1,576 1,578 54.278,579 1.872,580 3.492,581 4.251,582 4.582,583 4.582,584 4.582,585 2.529,586 3.821,587 4.364,588 3.254,589 683.265,590 7.479,591 7209.29,593 1,595 1,596 140.881,597 1.418,598 4.322,599 0.196,600 0.006,601 0.069,602 0.051,603 0.047,604 0.026,605 0.019,606 0.013,607 0.008,608 0.007,609 0.442,610 0.5,611 1,612 0.61,613 94.503,614 -0.044,615 -0.144,616 -0.001,617 -0.019,618 -0.082,619 -0.019,620 0.174,621 -0.022,622 -0.004,623 0.026,624 0.088,625 -0.049,626 -0.016,627 -0.103,628 -0.097,629 -0.115,630 0.024,631 -0.143,632 -0.015,633 -0.068,634 -0.048,635 -0.033,636 -0.084,637 -0.023,638 -0.194,639 -0.076,640 0.159,641 0.038,642 -0.008,643 0.22,644 -0.272,645 0.245,646 -0.018,647 0.119,648 -0.188,649 0.001,650 -0.139,651 0.153,652 0.001,653 0.007,654 -0.217,655 -0.06,656 -0.003,657 -0.127,658 -0.097,659 -0.111,660 -0.068,661 -0.186,662 2.156,663 4.893,664 0.81,665 15.819,666 1.027,667 1.095,668 3.927,669 15.424,670 0.844,671 3.178,672 3.497,673 3.738,674 3.989,675 4.19,676 4.159,677 4.248,678 4.29,679 4.304,680 4.277,681 5.271,682 0.784,683 410.6,684 3.178,685 4.71,686 5.549,687 6.422,688 7.283,689 8.16,690 9.03,691 9.91,692 10.785,693 11.666,694 6.9,703 1,704 1,709 7,710 1,714 4,716 12,734 2,735 29,737 15,738 1,739 23,741 31,742 15,743 11,744 3,745 3,746 4,748 3,749 3,750 1,762 15,767 3,772 1,774 1,775 1,776 3,780 1,783 8,784 4,786 6,787 2,788 1,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,847 1,849 1,850 21,859 1,871 2,872 6.9,875 1,877 1,879 10.833,880 5.436,881 4.583,882 1.617,884 3.071,885 1.459,886 1.015,887 4.146,888 9.759,889 3.497,890 4.094,891 4.654,892 5.198,893 5.73,894 5.879,895 6.258,896 6.616,897 6.978,898 7.227,899 0.833,900 30,901 7.704,903 3.27,904 7.9,905 14.326,907 11.428,909 2.4,910 50.398,914 94.169,915 158.028,916 33.571,917 39.149,918 36.145,920 56.782,921 101.246,922 169.462,923 33.571,926 56.857,927 80.235,928 57.412,930 127.409,931 39.149,932 94.169,933 134.817,934 36.145,935 39.149,936 56.782,937 94.169,938 36.145,941 34.88,942 70.919,943 68.167,944 56.782,945 94.169,946 69.716,947 140.395,948 56.782,950 94.169,951 26.294,952 131.734,954 108.865,955 94.169,956 69.716,957 140.395,958 56.782,959 0.583,960 0.334,961 0.179,962 0.103,963 16,964 7,965 0.065,966 2,968 1,969 3.353,970 160.05,972 17,973 88.239,979 14.382,980 6.054,981 3.205,983 69.716,984 12.307,985 3.923,989 2.912,992 361.062,993 32,998 11.893,1000 1.652,1001 4.234,1002 -0.022,1005 29.785,1006 31.741,1007 0.385,1008 0.719,1009 0.875,1010 0.943,1011 0.943,1012 0.943,1013 4.718,1014 1.03,1015 5.533,1016 2.937,1017 4.174,1018 4.779,1019 2.183,1020 6.323,1021 4.016,1022 5.939,1023 1,1024 7.079,1025 2.81,1026 3.761,1027 4.511,1029 7.154,1030 3.449,1031 7.245,1032 0.109,1033 8.723,1034 2.136,1035 5.746,1036 6.946,1037 3.072,1038 10.252,1039 5.483,1040 8.586,1041 -0.07,1042 10.423,1043 0.241,1044 6.133,1045 7.449,1047 11.918,1048 5.75,1049 9.955,1050 -0.614,1051 12.16,1052 -0.185,1053 7.602,1054 9.364,1055 4.119,1056 14.522,1057 7.238,1058 11.345,1059 -0.716,1060 13.923,1061 -1.487,1062 8.366,1063 10.252,1065 16.547,1066 7.9,1067 12.752,1068 -1,1069 15.706,1070 -1.92,1071 9.622,1072 11.919,1073 5.224,1074 18.972,1075 9.145,1076 3.11,1077 -1,1078 17.503,1079 -2.347,1080 10.568,1081 13.019,1083 21.156,1084 9.999,1085 2.769,1086 10.273,1087 19.313,1088 -2.46,1089 11.735,1090 14.556,1091 6.346,1092 23.512,1093 11.133,1094 2.435,1095 8.696,1096 21.132,1097 4.069,1098 12.769,1099 15.777,1101 25.769,1102 12.083,1103 2.134,1104 6.863,1105 22.958,1106 3.707,1107 13.902,1108 17.244,1109 7.474,1110 28.101,1111 13.167,1112 1.806,1113 5.898,1114 24.791,1115 3.326,1116 14.979,1117 18.535,1119 30.391,1120 14.165,1121 1.51,1122 5.143,1123 26.63,1124 2.832,1125 16.101,1126 19.964,1127 8.603,1128 32.715,1129 15.229,1130 1.197,1131 3.655,1132 28.473,1133 2.417,1134 17.2,1135 21.297,1137 35.022,1138 16.253,1139 4218,1140 8480,1141 15.315,1142 24.483,1143 34.888,1144 36.379,1145 35.256,1146 34.465,1147 34.198,1148 46.524,1149 5.354,1150 97.306,1151 31.003,1152 5.344,1153 5.791,1154 6.327,1155 5.103,1156 5.11,1157 7.069,1158 3.519,1159 17.175,1160 4.908,1161 9.533,1162 1.517,1163 1.582,1164 1.533,1165 1.498,1166 1.487,1167 2.023,1168 0.233,1169 4.231,1170 1.348,1171 3.984,1172 4.001,1173 10.695,1174 4.04,1175 7.433,1176 3.917,1177 3.863,1178 3.891,1179 4.02,1180 3.819,1181 5,1182 3.799,1183 3.629,1184 3.645,1185 3.849,1186 3.519,1187 4.9,1188 3.481,1189 3.001,1190 3.04,1191 3.622,1192 3.326,1193 4.715,1194 2.948,1195 2.884,1196 2.925,1197 3.193,1198 2.853,1199 4.302,1200 2.826,1201 2.854,1202 2.904,1203 2.909,1204 2.735,1205 4.029,1206 2.715,1207 2.842,1208 2.851,1209 2.788,1210 2.598,1211 3.674,1212 2.637,1213 2.47,1214 2.506,1215 2.687,1216 2.377,1217 3.625,1218 2.234,1219 0.194,1220 0.165,1221 0.284,1222 0.176,1223 0.135,1224 4.471,1225 0.177,1226 3.791,1227 0.076,1228 6.526,1229 0.447,1230 4.049,1231 0.126,1232 3.11,1233 4.069,1234 1.759,1235 10.273,1236 2.908,1237 1.895,1238 1.88,1239 1.969,1240 1.979,1241 1.095,1242 1.98,1243 1.858,1244 1.829,1245 1.908,1246 1.924,1247 1.016,1248 1.942,1249 1.399,1250 1.374,1251 1.488,1252 1.583,1253 0.504,1254 1.549,1255 1.125,1256 1.12,1257 1.219,1258 1.383,1259 0.27,1260 1.318,1261 0.886,1262 0.842,1263 1.181,1264 1.062,1265 0.218,1266 1.107,1267 0.864,1268 0.821,1269 0.95,1270 0.993,1271 0.121,1272 1.01,1273 0.711,1274 0.689,1275 0.849,1276 0.91,1278 0.927,1279 0.507,1280 0.454,1281 0.667,1282 0.704,1284 0.728,1285 3.85,1287 5.165,1288 2.398,1289 6.666,1290 4.727,1291 8.249,1292 6.804,1293 9.875,1296 6.129,1298 2.162,1304 5.207,1312 22.724,1313 54.278,1314 101.272,1315 123.272,1316 132.881,1317 132.881,1318 132.881,1319 30.372,1320 6.688,1321 55.99,1322 55.99,1323 17,1324 12.203,1325 4,1326 3.322,1327 32.163,1328 67,1329 62,1330 0.243,1331 153.628,1332 265.49,1333 366.611,1334 6329,1335 6.9,1336 14.82,1337 0.706,1338 0.643,1339 16.82,1340 13.499,1341 10.131,1342 0.44,1343 0.325,1344 6.036,1345 8.807,1346 5.826,1347 4.797,1348 11.286,1349 7.47,1350 9.268,1351 0.29,1352 0.184,1353 10.863,1354 5.894,1355 7.571,1356 0.185,1357 0.092,1358 8.716,1359 3.789,1360 6.15,1361 0.116,1362 0.047,1363 7.096,1364 2.493,1365 5.089,1366 0.078,1367 0.031,1368 6.684,1369 1.991,1370 0.375,1371 79.831,1372 0.256,1373 20.747,1374 0.686,1375 110,1376 378.613,1377 284.513,1378 436.134,1379 570.16,1380 404,1381 128,1382 365.011,1383 197.628,1384 393.149,1385 575.39,1386 369,1387 6.644} {0 CHEMBL1091785,1 1.878,2 9.435,3 2.721,4 7.405,5 83.303,6 10.636,7 0.48,8 3.602,9 3.664,10 3.452,11 3.192,12 4.994,13 3.227,14 4.038,15 4.109,16 3.833,17 3.545,18 5.614,19 3.575,20 4.198,21 4.316,22 3.877,23 3.59,24 5.632,25 3.601,26 4.229,27 4.362,28 3.822,29 3.448,30 5.743,31 3.486,32 4.021,33 4.132,34 3.663,35 3.292,36 5.554,37 3.372,38 4.011,39 4.091,40 3.688,41 3.169,42 5.763,43 3.262,44 3.708,45 3.799,46 3.412,47 3.076,48 5.233,49 3.114,50 3.621,51 3.718,52 3.293,53 2.96,54 5.498,55 2.965,56 0.223,57 0.438,58 1.718,59 2.252,60 17.44,61 1.944,62 0.464,63 0.654,64 3.448,65 3.632,66 58.478,67 3.028,68 0.486,69 0.745,70 8.14,71 4.725,72 47.822,73 4.431,74 0.751,75 0.718,76 14.451,77 5.117,78 90.548,79 4.219,80 0.496,81 0.633,82 6.141,83 3.633,84 53.648,85 2.858,86 0.782,87 0.554,88 7.516,89 3.517,90 84.702,91 2.273,92 0.363,93 0.416,94 4.547,95 2.925,96 49.191,97 2.413,98 0.44,99 0.383,100 4.545,101 2.708,102 74.848,103 2.343,104 18,105 35,106 0.344,107 0.662,108 0.803,109 0.884,110 0.896,111 0.896,112 3.188,113 0.815,114 -4.46,115 -4.38,116 -4.13,119 48.4,135 1,138 1,142 5,143 2,144 2,145 2,158 2,166 2,172 6,174 3,175 6,183 5,187 1,188 14,196 4,200 13,208 2,212 3,213 7,221 3,224 6,225 5,233 4,238 1,239 2,247 4,252 2,253 6,261 4,266 4,274 2,278 707,279 15.292,280 15.292,281 15.292,282 15.292,283 15.292,284 13.017,285 12.076,286 8.999,287 15.669,288 12.334,289 12.334,290 12.334,291 12.334,292 12.334,293 8.9,294 11.673,295 4.29,296 12.984,297 3.076,298 1.342,299 0.568,300 0.129,301 0.065,302 0.065,303 3.865,304 1,306 1,307 1,308 1,309 460,310 2.739,313 63.642,314 156.769,321 1.633,322 35.82,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 51.833,334 217,335 4.478,336 3.826,337 6.439,338 4.04,339 3.09,340 4.176,341 2.612,342 9.964,343 2.929,344 4.311,345 3.777,346 6.253,347 3.849,348 2.9,349 3.824,350 1.759,351 9.295,352 2.75,353 3.95,354 3.043,355 5.828,356 3.512,357 2.539,358 3.469,359 0.918,360 7.969,361 2.455,362 3.726,363 2.862,364 5.288,365 3.292,366 2.304,367 3.15,369 6.708,370 2.264,371 3.436,372 2.551,373 4.703,374 2.788,375 1.875,376 2.753,378 4.77,379 1.655,380 3.002,381 2.034,382 4.291,383 2.483,384 1.525,385 2.15,387 3.833,388 1.454,389 2.84,390 1.739,391 4.136,392 2.202,393 1.257,394 1.849,396 3.522,397 1.158,398 2.629,399 1.403,400 3.606,401 2.121,402 1.191,403 1.596,405 2.912,406 1.084,407 2.607,408 1.365,409 3.571,410 2,411 1,412 1.573,414 2.419,415 1,416 2.5,417 1,418 3.247,419 1.956,420 1,421 1.5,423 2.136,424 0.953,425 1.357,426 1,427 2.818,428 0.903,429 -0.03,430 -0.039,432 -0.076,433 -0.024,434 1.196,435 0.822,436 2.658,437 0.748,438 -0.108,439 -0.134,441 -0.267,442 -0.087,443 1,444 0.555,445 2.316,446 0.36,447 -0.649,448 -0.963,450 -1.518,451 -0.636,452 0.895,453 -0.058,454 2,455 0.183,456 -0.803,457 -1.122,459 -2,460 -0.788,461 0.659,462 -0.599,463 1.873,465 -1,466 -1.276,468 -2.347,469 -0.834,470 10.748,471 0.467,472 0.63,473 0.027,474 34.75,475 1.511,476 19.5,477 0.848,478 15.25,479 0.663,480 13.222,481 0.575,482 23.452,483 0.757,484 25.425,485 1.105,486 7.152,487 0.311,488 3.89,489 0.169,490 0.16,492 0.363,497 0.526,498 1.072,499 0.472,500 0.816,501 0.539,502 0.753,503 0.579,504 1.098,505 0.621,506 0.896,507 0.465,508 0.889,509 0.773,510 1.206,511 0.937,512 1.18,513 0.655,514 1.128,515 1.227,516 0.976,517 1.201,518 1.049,519 1.035,520 0.979,521 1.188,522 0.945,523 0.658,524 0.906,525 1.12,526 0.839,527 1.206,528 0.823,529 0.873,530 0.833,531 1.457,532 0.897,533 1.194,534 0.97,535 0.856,536 0.945,537 1.385,538 0.909,539 0.655,540 1.022,541 0.901,542 1.087,543 0.604,544 1.178,545 5,546 0.099,547 2.667,548 1.667,549 1.294,550 0.855,551 0.456,552 0.425,553 0.074,554 0.142,555 5536,556 23189,557 2.041,558 25.8,560 6,562 2,568 1.657,569 1.89,570 3.235,571 -0.643,573 1,575 1,578 58.222,579 1.878,580 3.612,581 4.386,582 4.825,583 4.89,584 4.89,585 2.719,586 4.002,587 4.495,588 3.396,589 859.197,590 7.738,591 9765.21,592 1,593 1,594 1,595 1,596 153.58,597 1.478,598 4.443,599 0.2,600 0.008,601 0.076,602 0.049,603 0.043,604 0.029,605 0.018,606 0.02,607 0.004,608 0.011,609 0.459,610 0.33,611 1,612 0.832,613 107.595,614 0.109,615 -0.02,616 0.022,617 0.005,618 -0.033,619 -0.016,620 0.178,621 -0.08,622 -0.001,623 -0.033,624 0.178,625 -0.096,626 -0.009,627 -0.226,628 -0.009,629 -0.236,630 0.018,631 -0.159,632 -0.174,633 -0.032,634 -0.044,635 -0.032,636 -0.075,637 0.07,638 -0.178,639 0.081,640 0.021,641 -0.011,642 -0.139,643 0.045,644 0.151,645 0.157,646 -0.031,647 0.105,648 -0.094,649 -0.058,650 -0.176,651 -0.058,652 0.024,653 0.028,654 -0.234,655 0.028,656 0.331,657 -0.109,658 0.041,659 -0.104,660 0.538,661 -0.2,662 2.616,663 4.863,664 0.739,665 19.206,666 1.051,667 1.114,668 3.226,669 10.406,670 0.741,671 3.258,672 3.584,673 3.829,674 4.06,675 4.248,676 4.277,677 4.369,678 4.5,679 4.522,680 4.431,681 5.756,682 0.753,683 329.71,684 3.258,685 4.796,686 5.638,687 6.512,688 7.375,689 8.252,690 9.123,691 10.003,692 10.878,693 11.76,694 9.7,703 1,704 1,705 1,709 7,710 1,714 4,716 12,729 1,734 1,735 31,737 17,738 1,739 25,741 33,742 15,743 11,744 3,745 3,746 4,748 3,749 3,750 1,762 15,767 5,769 1,772 3,774 1,775 1,776 3,779 1,780 1,783 8,784 6,786 8,787 1,792 3,796 1,797 4,808 1,814 1,815 2,831 1,833 2,842 3,847 1,850 23,859 1,871 1,872 12.9,875 1,877 1,878 2,879 12.167,880 5.826,881 5.028,882 1.698,884 3.235,885 1.47,886 0.975,887 4.086,888 10.116,889 3.611,890 4.22,891 4.762,892 5.301,893 5.827,894 6.068,895 6.447,896 6.842,897 7.154,898 7.412,899 1,900 34,901 8.444,903 3.687,904 8.295,905 15.102,907 11.978,909 2.795,910 64.278,914 94.169,915 102.344,916 39.241,917 39.149,918 86.892,921 102.344,922 220.209,923 39.241,924 5.67,926 56.857,927 80.235,928 58.509,930 70.627,931 89.896,932 94.169,933 141.585,934 86.892,935 39.149,937 94.169,938 36.145,939 50.747,941 34.88,942 72.016,943 73.837,945 94.169,946 126.133,947 141.492,950 94.169,951 27.391,952 80.622,954 159.611,955 94.169,956 126.133,957 141.492,959 0.586,960 0.338,961 0.177,962 0.095,963 17,964 8,965 0.091,966 3,968 1,969 3.505,970 180.929,972 17,973 102.042,979 15.192,980 6.186,981 3.223,983 120.463,984 10.718,985 3.935,989 0.693,992 361.794,993 36,995 -0.616,998 33.69,1000 1.521,1001 4.077,1002 -0.558,1005 32.589,1006 34.522,1007 0.379,1008 0.729,1009 0.885,1010 0.974,1011 0.987,1012 0.987,1013 4.836,1014 1.191,1015 5.631,1016 3.522,1017 4.263,1018 4.905,1019 2.999,1020 6.431,1021 4.163,1022 6.067,1023 1,1024 7.189,1025 2.912,1026 3.892,1027 4.745,1028 2.361,1029 7.302,1030 3.73,1031 7.385,1032 1,1033 8.845,1034 2.419,1035 5.849,1036 7.102,1037 4.434,1038 10.379,1039 5.662,1040 8.737,1041 -0.03,1042 10.558,1043 2.136,1044 6.275,1045 7.718,1046 4.506,1047 12.054,1048 6.016,1049 10.117,1050 -0.108,1051 12.305,1052 -0.076,1053 7.724,1054 9.563,1055 6.095,1056 14.632,1057 7.442,1058 11.517,1059 -0.649,1060 14.076,1061 -0.267,1062 8.509,1063 10.545,1064 6.556,1065 16.637,1066 8.152,1067 12.933,1068 -0.803,1069 15.863,1070 -1.518,1071 9.751,1072 12.165,1073 7.868,1074 19.029,1075 9.365,1076 3.09,1077 -1,1078 17.663,1079 -2,1080 10.704,1081 13.338,1082 8.548,1083 21.181,1084 10.246,1085 2.9,1086 9.964,1087 19.471,1088 -2.347,1089 11.861,1090 14.85,1091 9.705,1092 23.501,1093 11.364,1094 2.539,1095 9.295,1096 21.287,1097 4.176,1098 12.894,1099 16.127,1100 10.509,1101 25.719,1102 12.329,1103 2.304,1104 7.969,1105 23.108,1106 3.824,1107 14.018,1108 17.586,1109 11.58,1110 28.012,1111 13.407,1112 1.875,1113 6.708,1114 24.934,1115 3.469,1116 15.089,1117 18.921,1118 12.452,1119 30.261,1120 14.416,1121 1.525,1122 4.77,1123 26.763,1124 3.15,1125 16.201,1126 20.355,1127 13.475,1128 32.545,1129 15.477,1130 1.257,1131 3.833,1132 28.595,1133 2.753,1134 17.291,1135 21.724,1136 14.386,1137 34.81,1138 16.508,1139 5436,1140 11290,1141 16.414,1142 22.977,1143 38.16,1144 40.122,1145 38.76,1146 37.526,1147 37.361,1148 52.08,1149 10.579,1150 107.056,1151 35.405,1152 5.348,1153 5.826,1154 6.241,1155 5.092,1156 5.09,1157 7.176,1158 4.612,1159 16.638,1160 4.929,1161 11.944,1162 1.526,1163 1.605,1164 1.55,1165 1.501,1166 1.494,1167 2.083,1168 0.423,1169 4.282,1170 1.416,1171 4.026,1172 4.044,1173 4.085,1174 3.913,1175 7.815,1176 3.924,1177 3.896,1178 3.927,1179 3.875,1180 3.796,1181 7.433,1182 3.801,1183 3.681,1184 3.698,1185 3.67,1186 3.462,1187 6.999,1188 3.501,1189 3.448,1190 3.466,1191 3.513,1192 3.058,1193 4.975,1194 3.141,1195 3.018,1196 3.051,1197 3.278,1198 2.901,1199 4.893,1200 2.907,1201 2.877,1202 2.89,1203 2.866,1204 2.718,1205 4.759,1206 2.726,1207 2.753,1208 2.834,1209 2.658,1210 2.523,1211 4.216,1212 2.54,1213 2.632,1214 2.673,1215 2.619,1216 2.368,1217 3.972,1218 2.418,1219 0.179,1220 0.153,1221 0.258,1222 0.162,1223 0.124,1224 4.478,1225 0.167,1226 3.826,1227 0.104,1228 6.439,1229 0.399,1230 4.04,1231 0.117,1232 3.09,1233 4.176,1234 2.612,1235 9.964,1236 2.929,1237 1.919,1238 1.901,1239 1.979,1240 2.07,1241 1.097,1242 2.03,1243 1.858,1244 1.827,1245 1.958,1246 1.975,1247 1.009,1248 1.973,1249 1.419,1250 1.394,1251 1.515,1252 1.687,1253 0.549,1254 1.591,1255 1.242,1256 1.23,1257 1.285,1258 1.584,1259 0.222,1260 1.538,1261 1.051,1262 1.034,1263 1.155,1264 1.339,1265 0.212,1266 1.27,1267 0.84,1268 0.806,1269 1.065,1270 1.034,1271 0.081,1272 1.05,1273 0.697,1274 0.628,1275 0.946,1276 0.964,1278 0.969,1279 0.605,1280 0.55,1281 0.806,1282 0.877,1284 0.888,1285 3.932,1287 5.252,1288 2.398,1289 6.758,1290 4.727,1291 8.345,1292 6.804,1293 9.973,1296 5.755,1304 5.064,1312 23.331,1313 58.222,1314 111.97,1315 135.97,1316 149.58,1317 151.58,1318 151.58,1319 46.168,1320 6.881,1321 101.81,1322 101.81,1323 17,1324 12.296,1325 4.17,1326 3.585,1327 36.855,1328 79,1329 76,1330 0.232,1331 147.902,1332 266.15,1333 352.641,1334 8073,1335 3.2,1336 16.397,1337 0.713,1338 0.532,1339 16.897,1340 12.227,1341 11.042,1342 0.442,1343 0.272,1344 6.325,1345 10.189,1346 6.209,1347 5.127,1348 11.33,1349 6.791,1350 10.167,1351 0.29,1352 0.142,1353 10.538,1354 4.953,1355 8.267,1356 0.184,1357 0.074,1358 8.626,1359 3.318,1360 6.7,1361 0.118,1362 0.037,1363 7.044,1364 2.124,1365 5.234,1366 0.076,1367 0.02,1368 5.428,1369 1.359,1370 0.36,1371 73.627,1372 0.247,1373 22.549,1374 0.643,1375 120,1376 488.081,1377 151.78,1378 492.344,1379 641.44,1380 452,1381 140,1382 445.066,1383 168.274,1384 451.002,1385 654.83,1386 421,1387 6.555} {0 CHEMBL1091786,1 1.531,2 8.55,3 2.649,4 7.015,5 76.215,6 8.259,7 0.545,8 3.581,9 3.671,10 3.245,11 3.196,12 4.803,13 3.192,14 4.04,15 4.167,16 3.583,17 3.53,18 5.302,19 3.515,20 4.174,21 4.334,22 3.52,23 3.56,24 5.391,25 3.511,26 4.206,27 4.421,28 3.371,29 3.424,30 5.274,31 3.373,32 4.015,33 4.176,34 3.423,35 3.301,36 5.317,37 3.306,38 4.001,39 4.157,40 3.268,41 3.176,42 5.379,43 3.188,44 3.691,45 3.84,46 2.964,47 3.043,48 4.965,49 2.996,50 3.603,51 3.769,52 2.67,53 2.939,54 4.772,55 2.844,56 0.022,57 0.42,58 4.927,59 2.726,60 4.284,61 3.125,62 0.211,63 0.667,64 9.279,65 4.309,66 20.125,67 5.156,68 0.125,69 0.759,70 11.313,71 5.214,72 18.988,73 6.425,74 0.221,75 0.77,76 14.605,77 5.465,78 28.522,79 6.74,80 0.14,81 0.646,82 10.345,83 4.161,84 18.044,85 4.77,86 0.398,87 0.597,88 11.569,89 3.769,90 46.051,91 3.52,92 0.106,93 0.432,94 7.319,95 3.282,96 18.012,97 3.678,98 0.145,99 0.398,100 7.08,101 3.043,102 26.539,103 3.393,104 5,105 30,106 0.282,107 0.617,108 0.782,109 0.883,110 0.894,111 0.894,112 3.058,113 0.848,114 -4.14,115 -4.09,116 -3.86,119 50,120 1,135 1,138 1,142 6,143 3,145 2,158 2,172 10,174 2,175 5,183 10,187 1,188 9,196 6,200 8,208 2,212 1,213 9,221 3,224 2,225 4,233 5,239 3,247 7,253 2,261 6,266 2,274 4,278 460,279 13.585,280 13.585,281 13.585,282 13.585,283 13.585,284 11.614,285 9.614,286 8.185,287 13.797,288 10.899,289 10.899,290 10.899,291 10.899,292 10.899,293 7.939,294 9.233,295 3.954,296 11.235,297 3.469,298 1.65,299 0.758,300 0.211,301 0.149,302 0.149,303 3.738,306 1,307 1,308 1,309 369,310 2,313 53.148,314 131.591,321 1.495,322 17.561,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 43,334 171,335 4.413,336 3.783,337 6.339,338 4.002,339 3.049,340 3.944,341 1.759,342 9.751,343 2.902,344 4.076,345 3.03,346 5.89,347 3.664,348 2.669,349 3.639,350 0.918,351 8.241,352 2.652,353 3.823,354 2.566,355 5.297,356 3.402,357 2.418,358 3.309,360 6.786,361 2.371,362 3.495,363 2.511,364 5.007,365 3.093,366 2.104,367 2.784,369 5.883,370 2.075,371 3.002,372 1.98,373 4.196,374 2.483,375 1.523,376 2.148,378 3.734,379 1.456,380 2.847,381 1.635,382 4.11,383 2.306,384 1.323,385 1.921,387 3.422,388 1.295,389 2.67,390 1.389,391 3.572,392 2.149,393 1.196,394 1.647,396 2.913,397 1.126,398 2.539,399 1.155,400 3.47,401 1.994,402 1.029,403 1.5,405 2.483,406 0.985,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.485,414 2.136,415 0.953,416 1.302,417 0.789,418 2.81,419 0.891,420 -0.063,421 -0.081,423 -0.169,424 -0.06,425 0.947,426 -0.046,427 2.517,428 0.601,429 -0.398,430 -0.503,432 -0.885,433 -0.397,434 0.895,435 -0.132,436 2,437 0.392,438 -0.617,439 -0.814,441 -1.486,442 -0.609,443 0.699,444 -0.603,445 1.873,446 0.259,447 -0.727,448 -1.068,450 -1.945,451 -0.712,452 0.5,453 -0.755,454 1.712,455 -0.024,456 -1,457 -1.5,459 -2.347,460 -0.973,461 0.446,462 -1,463 1.555,464 -0.092,465 -1.082,466 -1.538,468 -2.713,469 -1.062,470 9.467,471 0.473,472 0.452,473 0.023,474 29.25,475 1.463,476 16.5,477 0.825,478 12.75,479 0.638,480 11.382,481 0.569,482 19.933,483 0.623,484 19.192,485 0.96,486 6.079,487 0.304,488 3.642,489 0.182,490 0.088,492 0.317,497 0.697,498 1.145,499 0.663,500 0.989,501 0.598,502 0.854,503 0.602,504 1.018,505 0.746,506 0.929,507 0.536,508 0.872,509 0.72,510 1.224,511 0.962,512 1.22,513 0.706,514 1.152,515 1.19,516 0.929,517 0.937,518 0.865,519 0.924,520 0.853,521 1.287,522 1.127,523 0.874,524 1.071,525 1.048,526 0.926,527 2.389,528 0.663,529 1.331,530 0.648,531 2.387,532 0.774,533 1.35,534 1.037,535 1.162,536 1.158,537 1.695,538 1.144,539 1.459,540 1.016,541 1.451,542 1.084,543 2.207,544 1.254,545 4,546 0.033,547 1.778,548 1.229,549 1.023,550 0.508,551 0.408,552 0.146,553 0.058,554 0.063,555 3923,556 11000,557 2.107,558 37.5,559 3,560 7,562 2,568 1.616,569 2,570 3.119,571 -0.787,573 1,575 1,578 48.98,579 1.531,580 3.35,581 4.242,582 4.789,583 4.851,584 4.851,585 2.546,586 3.822,587 4.293,588 3.246,589 616.671,590 7.329,591 6302.75,592 1,593 1,594 1,595 1,596 160,597 1.295,598 4.266,599 0.182,600 0.005,601 0.059,602 0.046,603 0.044,604 0.021,605 0.02,606 0.01,607 0.005,608 0.006,609 0.399,610 0.83,611 1,612 0.548,613 88.69,614 -0.017,615 -0.15,616 0.052,617 -0.07,618 -0.072,619 -0.012,620 0.274,621 -0.007,622 0.079,623 -0.002,624 0.141,625 0.003,626 0.074,627 -0.249,628 -0.081,629 -0.273,630 0.072,631 -0.22,632 -0.115,633 0.041,634 0.112,635 0.116,636 -0.056,637 0.151,638 -0.036,639 -0.117,640 0.089,641 -0.145,642 0.106,643 -0.03,644 -0.336,645 0.358,646 -0.26,647 0.273,648 -0.292,649 0.067,650 -0.185,651 -0.129,652 -0.233,653 -0.183,654 -0.102,655 -0.211,656 -0.348,657 -0.108,658 -0.506,659 -0.099,660 -0.52,661 -0.3,662 2.106,663 4.822,664 0.85,665 14.8,666 1.009,667 1.109,668 2.911,669 8.471,670 0.71,671 3.135,672 3.434,673 3.664,674 3.912,675 4.094,676 4.06,677 4.159,678 4.22,679 4.22,680 4.159,681 5.213,682 0.691,683 264.3,684 3.135,685 4.654,686 5.485,687 6.347,688 7.198,689 8.066,690 8.926,691 9.797,692 10.662,693 11.535,694 6.3,703 1,704 1,709 8,710 1,714 3,716 12,735 32,737 15,738 1,739 22,741 34,742 16,743 11,744 2,745 4,746 4,748 3,749 3,754 1,762 15,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 12,784 4,786 4,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,846 1,850 20,859 1,872 6.3,875 1,877 1,879 10,880 6.233,881 4.389,882 1.844,884 3.026,885 1.46,886 0.995,887 3.239,888 9.604,889 3.466,890 4.043,891 4.595,892 5.134,893 5.658,894 5.795,895 6.205,896 6.556,897 6.921,898 7.133,899 0.833,900 27,901 7.344,903 3.091,904 7.825,905 13.786,907 10.961,909 2.325,910 46.5,914 141.253,915 117.573,916 33.571,918 36.145,921 117.573,922 177.398,923 33.571,924 8.825,926 66.334,927 80.235,928 55.437,930 117.711,932 141.253,933 151.144,934 36.145,937 141.253,938 36.145,941 43.706,942 78.42,943 29.019,945 141.253,946 69.716,947 117.573,950 141.253,951 24.319,952 93.254,954 69.716,955 141.253,956 69.716,957 117.573,959 0.576,960 0.326,961 0.177,962 0.099,963 15,964 6,965 0.059,966 2,968 1,969 3.323,970 147.676,972 17,973 84.439,979 12.462,980 5.198,981 2.736,983 69.716,984 14.685,985 3.995,989 2.701,992 328.542,993 31,998 11.822,1000 1.665,1001 4.254,1002 0.189,1005 32.276,1006 35.491,1007 0.306,1008 0.67,1009 0.848,1010 0.958,1011 0.97,1012 0.97,1013 4.673,1014 1.029,1015 5.451,1016 2.913,1017 4.111,1018 4.727,1019 2.183,1020 6.213,1021 4.051,1022 5.879,1023 1,1024 6.974,1025 2.483,1026 3.611,1027 4.35,1029 6.969,1030 3.54,1031 7.172,1032 -0.063,1033 8.595,1034 2.136,1035 5.652,1036 6.864,1037 3.072,1038 10.059,1039 5.534,1040 8.499,1041 -0.398,1042 10.273,1043 -0.169,1044 5.969,1045 7.267,1047 11.655,1048 5.819,1049 9.855,1050 -0.617,1051 11.987,1052 -0.885,1053 7.473,1054 9.243,1055 4.119,1056 14.23,1057 7.285,1058 11.233,1059 -0.727,1060 13.727,1061 -1.486,1062 8.181,1063 10.039,1065 16.187,1066 7.946,1067 12.627,1068 -1,1069 15.486,1070 -1.945,1071 9.449,1072 11.746,1073 5.224,1074 18.57,1075 9.178,1076 3.049,1077 -1.082,1078 17.259,1079 -2.347,1080 10.352,1081 12.764,1083 20.69,1084 10.027,1085 2.669,1086 9.751,1087 19.042,1088 -2.713,1089 11.517,1090 14.321,1091 6.346,1092 22.999,1093 11.152,1094 2.418,1095 8.241,1096 20.834,1097 3.944,1098 12.518,1099 15.47,1101 25.197,1102 12.096,1103 2.104,1104 6.786,1105 22.633,1106 3.639,1107 13.641,1108 16.942,1109 7.474,1110 27.478,1111 13.175,1112 1.523,1113 5.883,1114 24.438,1115 3.309,1116 14.692,1117 18.172,1119 29.713,1120 14.168,1121 1.323,1122 3.734,1123 26.248,1124 2.784,1125 15.798,1126 19.594,1127 8.603,1128 31.985,1129 15.227,1130 1.196,1131 3.422,1132 28.061,1133 2.148,1134 16.875,1135 20.873,1137 34.238,1138 16.246,1139 3798,1140 6492,1141 14.909,1142 22.727,1143 33.364,1144 34.134,1145 33.328,1146 32.587,1147 32.62,1148 44.755,1149 5.354,1150 90.694,1151 31.63,1152 5.28,1153 5.783,1154 6.141,1155 5.048,1156 5.049,1157 6.944,1158 3.519,1159 16.386,1160 4.902,1161 7.578,1162 1.517,1163 1.552,1164 1.515,1165 1.481,1166 1.483,1167 2.034,1168 0.243,1169 4.122,1170 1.438,1171 3.991,1172 4.014,1173 3.951,1174 3.904,1175 7.433,1176 3.908,1177 3.87,1178 3.905,1179 3.809,1180 3.793,1181 4.957,1182 3.793,1183 3.644,1184 3.663,1185 3.604,1186 3.457,1187 4.854,1188 3.491,1189 3.177,1190 3.254,1191 3.019,1192 3.046,1193 4.605,1194 3.029,1195 3.001,1196 3.048,1197 2.88,1198 2.875,1199 4.001,1200 2.869,1201 2.866,1202 2.892,1203 2.792,1204 2.699,1205 3.872,1206 2.709,1207 2.752,1208 2.834,1209 2.619,1210 2.522,1211 3.786,1212 2.539,1213 2.535,1214 2.617,1215 2.412,1216 2.304,1217 3.607,1218 2.286,1219 0.201,1220 0.172,1221 0.288,1222 0.182,1223 0.139,1224 4.413,1225 0.179,1226 3.783,1227 0.08,1228 6.339,1229 0.443,1230 4.002,1231 0.132,1232 3.049,1233 3.944,1234 1.759,1235 9.751,1236 2.902,1237 1.924,1238 1.899,1239 2.04,1240 2.005,1241 1.145,1242 2.017,1243 1.859,1244 1.827,1245 1.965,1246 1.97,1247 1.01,1248 1.972,1249 1.419,1250 1.393,1251 1.561,1252 1.591,1253 0.628,1254 1.566,1255 1.252,1256 1.208,1257 1.506,1258 1.482,1259 0.543,1260 1.486,1261 1.062,1262 1.019,1263 1.219,1264 1.316,1265 0.268,1266 1.288,1267 0.84,1268 0.806,1269 1.065,1270 1.041,1271 0.085,1272 1.053,1273 0.698,1274 0.626,1275 0.951,1276 0.967,1277 0.011,1278 0.973,1279 0.613,1280 0.538,1281 0.941,1282 0.857,1284 0.889,1285 3.807,1287 5.106,1288 2.398,1289 6.592,1290 4.727,1291 8.156,1292 6.804,1293 9.76,1295 1.979,1304 5.21,1312 22.106,1313 48.98,1314 107.206,1315 135.735,1316 153.245,1317 155.245,1318 155.245,1319 25.46,1320 6.578,1321 55.99,1322 55.99,1323 17,1324 12.078,1325 4,1326 3.322,1327 29.989,1328 63,1329 56,1330 0.241,1331 137.302,1332 242.3,1333 326.777,1334 5542,1336 13.949,1337 0.697,1338 0.545,1339 13.949,1340 10.907,1341 9.72,1342 0.442,1343 0.283,1344 6.145,1345 9.405,1346 5.967,1347 4.999,1348 9.72,1349 6.219,1350 8.74,1351 0.291,1352 0.15,1353 8.74,1354 4.492,1355 7.089,1356 0.187,1357 0.076,1358 7.089,1359 2.873,1360 5.861,1361 0.12,1362 0.039,1363 5.861,1364 1.93,1365 4.668,1366 0.079,1367 0.021,1368 4.668,1369 1.211,1370 0.372,1371 60.624,1372 0.259,1373 19.972,1374 0.673,1375 104,1376 330.761,1377 114.084,1378 321.041,1379 439.43,1380 300,1381 120,1382 325.839,1383 130.253,1384 331.208,1385 481.71,1386 310,1387 6.146} {0 CHEMBL1091787,1 1.715,2 9.1,3 2.827,4 7.991,5 75.979,6 9.818,7 0.545,8 3.507,9 3.578,10 3.309,11 3.158,12 4.783,13 3.163,14 3.949,15 4.04,16 3.679,17 3.497,18 5.304,19 3.49,20 4.1,21 4.244,22 3.625,23 3.513,24 5.397,25 3.47,26 4.04,27 4.214,28 3.402,29 3.317,30 5.231,31 3.287,32 3.855,33 3.993,34 3.422,35 3.193,36 5.228,37 3.22,38 3.821,39 3.926,40 3.432,41 3.089,42 5.362,43 3.119,44 3.554,45 3.679,46 3.112,47 2.97,48 4.887,49 2.934,50 3.427,51 3.574,52 2.973,53 2.87,54 4.762,55 2.793,56 0.069,57 0.364,58 2.598,59 2.153,60 4.286,61 2.21,62 0.25,63 0.577,64 5.078,65 3.416,66 17.723,67 3.472,68 0.25,69 0.662,70 10.953,71 4.696,72 20.479,73 5.192,74 0.329,75 0.633,76 12.848,77 4.571,78 31.459,79 4.638,80 0.236,81 0.544,82 6.996,83 3.306,84 16.729,85 3.11,86 0.423,87 0.469,88 7.705,89 3.208,90 40.095,91 2.53,92 0.189,93 0.352,94 5.605,95 2.732,96 24.622,97 2.573,98 0.181,99 0.319,100 5.453,101 2.513,102 20.884,103 2.748,104 5,105 30,106 0.322,107 0.602,108 0.756,109 0.843,110 0.861,111 0.861,112 3.057,113 0.857,114 -4.41,115 -4.34,116 -4.09,119 51.7,135 1,138 1,142 6,143 2,144 1,145 2,158 2,172 7,174 2,175 5,183 8,187 1,188 9,196 5,200 8,208 2,212 1,213 5,221 3,224 2,225 6,233 5,239 1,247 5,253 3,261 5,266 2,274 3,278 466,279 13.585,280 13.585,281 13.585,282 13.585,283 13.585,284 11.614,285 8.79,286 8.149,287 13.933,288 10.882,289 10.882,290 10.882,291 10.882,292 10.882,293 7.933,294 8.403,295 3.934,296 11.494,297 3.143,298 1.657,299 0.837,300 0.371,301 0.276,302 0.276,303 3.738,304 1,307 1,308 1,309 393,310 2,313 54.232,314 132.347,321 1.51,322 20.627,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 43.333,334 182,335 4.408,336 3.783,337 6.332,338 3.994,339 3.044,340 3.93,341 1.759,342 9.718,343 2.888,344 4.06,345 3.047,346 5.872,347 3.632,348 2.651,349 3.626,350 0.918,351 8.159,352 2.598,353 3.823,354 2.847,355 5.293,356 3.384,357 2.418,358 3.314,360 6.754,361 2.34,362 3.559,363 2.551,364 5.024,365 3.084,366 2.175,367 2.877,369 5.998,370 1.885,371 3.002,372 2.031,373 4.244,374 2.483,375 1.525,376 2.15,378 3.792,379 1.454,380 2.84,381 1.72,382 4.129,383 2.202,384 1.257,385 1.849,387 3.489,388 1.158,389 2.629,390 1.389,391 3.571,392 2.121,393 1.191,394 1.573,396 2.912,397 1.084,398 2.5,399 1,400 3.414,401 2,402 1,403 1.5,405 2.275,406 1,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.5,414 2.136,415 0.953,416 1.331,417 0.816,418 2.811,419 0.898,420 -0.052,421 -0.067,423 -0.137,424 -0.048,425 1.097,426 0.392,427 2.533,428 0.649,429 -0.201,430 -0.245,432 -0.452,433 -0.141,434 0.892,435 -0.065,436 2,437 0.351,438 -0.654,439 -0.992,441 -1.525,442 -0.638,443 0.5,444 -0.653,445 1.873,447 -1,448 -1.223,450 -2.347,451 -0.831,452 0.5,453 -0.873,454 1.728,455 -0.023,456 -1,457 -1.5,459 -2.509,460 -0.973,461 0.474,462 -1,463 1.555,464 -0.061,465 -1,466 -1.5,468 -3,469 -1,470 9.681,471 0.484,472 0.452,473 0.023,474 29.5,475 1.475,476 16.5,477 0.825,478 13,479 0.65,480 11.202,481 0.56,482 19.719,483 0.68,484 19.236,485 0.962,486 6.111,487 0.306,488 3.61,489 0.18,490 0.108,492 0.31,497 0.68,498 1.126,499 0.5,500 0.859,501 0.589,502 0.762,503 0.642,504 1.082,505 0.653,506 0.894,507 0.567,508 0.891,509 0.854,510 1.157,511 1.049,512 1.164,513 0.773,514 1.12,515 1.345,516 0.974,517 1.08,518 0.947,519 1.085,520 0.952,521 1.325,522 0.961,523 0.636,524 0.829,525 1.151,526 0.774,527 1.536,528 0.897,529 0.884,530 0.968,531 2.152,532 0.954,533 1.46,534 0.867,535 0.975,536 0.849,537 1.966,538 0.935,539 0.646,540 1.033,541 0.928,542 1.101,543 0.75,544 1.172,545 4,546 0.049,547 2,548 1.104,549 0.943,550 0.619,551 0.319,552 0.249,553 0.025,554 0.063,555 3983,556 14012,557 2.107,558 31,560 7,562 2,568 1.615,569 2,570 3.183,571 -0.738,573 1,575 1,578 49.749,579 1.715,580 3.201,581 4.021,582 4.487,583 4.582,584 4.582,585 2.709,586 3.622,587 4.292,588 3.292,589 625.572,590 7.321,591 6391.44,592 1,593 1,594 1,595 1,596 140.881,597 1.295,598 4.266,599 0.182,600 0.008,601 0.067,602 0.041,603 0.043,604 0.027,605 0.016,606 0.017,607 0.002,608 0.007,609 0.409,610 0.67,611 1,612 0.548,613 88.969,614 -0.04,615 -0.161,616 0.016,617 -0.071,618 -0.082,619 -0.019,620 0.178,621 -0.082,622 -0.013,623 -0.066,624 0.089,625 -0.11,626 -0.009,627 -0.196,628 -0.106,629 -0.22,630 0.045,631 -0.167,632 -0.254,633 0.026,634 -0.114,635 0.046,636 -0.17,637 0.06,638 -0.175,639 0.092,640 0.048,641 0.063,642 -0.015,643 0.098,644 0.055,645 0.092,646 -0.037,647 -0.036,648 -0.138,649 -0.123,650 -0.285,651 0.031,652 -0.051,653 0.134,654 -0.35,655 0.009,656 0.159,657 -0.139,658 0.043,659 -0.113,660 0.18,661 -0.157,662 2.14,663 4.778,664 0.85,665 15.3,666 1.025,667 1.104,668 3.179,669 10.103,670 0.753,671 3.135,672 3.434,673 3.664,674 3.892,675 4.094,676 4.078,677 4.127,678 4.234,679 4.263,680 4.111,681 5.317,682 0.738,683 284.71,684 3.135,685 4.654,686 5.485,687 6.344,688 7.195,689 8.06,690 8.92,691 9.788,692 10.653,693 11.524,694 6.9,703 1,704 1,709 8,710 1,714 3,716 12,734 1,735 29,737 15,738 1,739 22,741 31,742 15,743 11,744 2,745 4,746 4,748 3,749 3,750 1,762 15,767 3,772 1,774 1,775 1,776 3,780 1,783 9,784 4,786 5,787 1,792 2,796 1,797 2,808 1,814 1,815 2,831 1,833 2,842 3,847 1,850 20,859 1,871 1,872 6.9,875 1,877 1,879 10,880 5.376,881 4.389,882 1.63,884 3.016,885 1.458,886 0.999,887 3.421,888 9.594,889 3.466,890 4.043,891 4.595,892 5.121,893 5.658,894 5.821,895 6.173,896 6.579,897 6.932,898 7.113,899 1,900 27,901 7.322,903 3.107,904 7.931,905 13.572,907 10.796,909 2.431,910 48.611,914 105.94,915 109.063,916 33.571,917 39.149,918 36.145,921 109.063,922 181.233,923 33.571,926 66.334,927 80.235,928 55.752,930 82.398,931 39.149,932 105.94,933 142.634,934 36.145,935 39.149,937 105.94,938 36.145,941 34.88,942 78.735,943 68.167,945 105.94,946 69.716,947 148.212,950 105.94,951 24.634,952 84.429,954 108.865,955 105.94,956 69.716,957 148.212,959 0.577,960 0.327,961 0.171,962 0.098,963 15,964 6,965 0.065,966 2,968 1,969 3.338,970 147.031,972 17,973 82.439,979 12.733,980 5.374,981 2.849,983 69.716,984 13.877,985 3.979,989 2.114,992 323.867,993 31,998 11.778,1000 1.637,1001 4.199,1002 0.059,1005 29.716,1006 32.02,1007 0.353,1008 0.659,1009 0.828,1010 0.924,1011 0.943,1012 0.943,1013 4.673,1014 1,1015 5.451,1016 2.912,1017 4.111,1018 4.727,1019 2.183,1020 6.209,1021 4.009,1022 5.879,1023 1,1024 6.974,1025 2.275,1026 3.611,1027 4.35,1029 6.969,1030 3.43,1031 7.172,1032 -0.052,1033 8.594,1034 2.136,1035 5.652,1036 6.864,1037 3.072,1038 10.043,1039 5.467,1040 8.499,1041 -0.201,1042 10.271,1043 -0.137,1044 5.969,1045 7.267,1047 11.641,1048 5.71,1049 9.855,1050 -0.654,1051 11.983,1052 -0.452,1053 7.469,1054 9.24,1055 4.119,1056 14.203,1057 7.203,1058 11.231,1059 -1,1060 13.721,1061 -1.525,1062 8.173,1063 10.03,1065 16.159,1066 7.838,1067 12.624,1068 -1,1069 15.478,1070 -2.347,1071 9.439,1072 11.736,1073 5.224,1074 18.534,1075 9.085,1076 3.044,1077 -1,1078 17.249,1079 -2.509,1080 10.336,1081 12.744,1083 20.653,1084 9.917,1085 2.651,1086 9.718,1087 19.03,1088 -3,1089 11.499,1090 14.301,1091 6.346,1092 22.957,1093 11.05,1094 2.418,1095 8.159,1096 20.82,1097 3.93,1098 12.496,1099 15.441,1101 25.152,1102 11.983,1103 2.175,1104 6.754,1105 22.617,1106 3.626,1107 13.617,1108 16.912,1109 7.474,1110 27.43,1111 13.064,1112 1.525,1113 5.998,1114 24.42,1115 3.314,1116 14.664,1117 18.133,1119 29.662,1120 14.051,1121 1.257,1122 3.792,1123 26.228,1124 2.877,1125 15.769,1126 19.555,1127 8.603,1128 31.931,1129 15.109,1130 1.191,1131 3.489,1132 28.039,1133 2.15,1134 16.843,1135 20.826,1137 34.181,1138 16.124,1139 3854,1140 7346,1141 14.909,1142 21.824,1143 33.28,1144 34.172,1145 33.328,1146 32.694,1147 32.521,1148 44.64,1149 5.354,1150 90.467,1151 30.722,1152 5.274,1153 5.783,1154 6.134,1155 5.042,1156 5.044,1157 6.93,1158 3.519,1159 16.31,1160 4.888,1161 7.702,1162 1.513,1163 1.553,1164 1.515,1165 1.486,1166 1.478,1167 2.029,1168 0.243,1169 4.112,1170 1.396,1171 3.982,1172 4.003,1173 4.02,1174 3.894,1175 7.433,1176 3.898,1177 3.862,1178 3.893,1179 3.863,1180 3.789,1181 4.996,1182 3.788,1183 3.633,1184 3.648,1185 3.661,1186 3.452,1187 4.905,1188 3.485,1189 3.033,1190 3.063,1191 3.29,1192 2.946,1193 4.766,1194 2.94,1195 2.879,1196 2.925,1197 2.868,1198 2.735,1199 4.23,1200 2.727,1201 2.854,1202 2.886,1203 2.687,1204 2.718,1205 3.975,1206 2.715,1207 2.752,1208 2.833,1209 2.651,1210 2.522,1211 3.786,1212 2.539,1213 2.499,1214 2.532,1215 2.619,1216 2.202,1217 3.674,1218 2.259,1219 0.2,1220 0.172,1221 0.288,1222 0.182,1223 0.138,1224 4.408,1225 0.179,1226 3.783,1227 0.08,1228 6.332,1229 0.442,1230 3.994,1231 0.131,1232 3.044,1233 3.93,1234 1.759,1235 9.718,1236 2.888,1237 1.896,1238 1.875,1239 1.98,1240 1.983,1241 1.078,1242 1.986,1243 1.856,1244 1.826,1245 1.958,1246 1.954,1247 1.008,1248 1.961,1249 1.415,1250 1.391,1251 1.514,1252 1.588,1253 0.549,1254 1.558,1255 1.116,1256 1.118,1257 1.181,1258 1.38,1259 0.223,1260 1.305,1261 0.886,1262 0.821,1263 1.146,1264 1.062,1265 0.218,1266 1.107,1267 0.839,1268 0.806,1269 1.065,1270 1.033,1271 0.081,1272 1.049,1273 0.694,1274 0.622,1275 0.945,1276 0.96,1278 0.962,1279 0.541,1280 0.502,1281 0.728,1282 0.753,1284 0.774,1285 3.807,1287 5.106,1288 2.398,1289 6.592,1290 4.727,1291 8.154,1292 6.804,1293 9.755,1296 5.817,1304 5.151,1312 21.407,1313 49.749,1314 92.842,1315 116.617,1316 130.127,1317 132.881,1318 132.881,1319 26.588,1320 6.578,1321 55.99,1322 55.99,1323 17,1324 12.068,1325 4,1326 3.322,1327 30.031,1328 64,1329 61,1330 0.236,1331 136.043,1332 240.21,1333 323.704,1334 5542,1335 3.4,1336 13.949,1337 0.697,1338 0.552,1339 14.449,1340 11.041,1341 9.72,1342 0.442,1343 0.286,1344 5.864,1345 9.096,1346 5.724,1347 4.74,1348 10.009,1349 6.286,1350 8.729,1351 0.291,1352 0.152,1353 9.137,1354 4.566,1355 7.173,1356 0.189,1357 0.078,1358 7.461,1359 2.951,1360 5.709,1361 0.119,1362 0.039,1363 5.876,1364 1.87,1365 4.663,1366 0.079,1367 0.021,1368 4.877,1369 1.256,1370 0.367,1371 63.8,1372 0.259,1373 20.047,1374 0.656,1375 104,1376 356.965,1377 129.603,1378 374.212,1379 498.21,1380 348,1381 120,1382 342.701,1383 140.012,1384 355.864,1385 518.56,1386 334,1387 6.276} {0 CHEMBL1092139,1 1.732,2 9.955,3 2.057,4 4.23,5 78.499,6 9.525,7 0.5,8 3.593,9 3.665,10 3.357,11 3.156,12 4.969,13 3.194,14 4.027,15 4.111,16 3.701,17 3.494,18 5.58,19 3.528,20 4.178,21 4.319,22 3.663,23 3.516,24 5.576,25 3.531,26 4.203,27 4.367,28 3.518,29 3.367,30 5.573,31 3.396,32 4.003,33 4.137,34 3.464,35 3.233,36 5.457,37 3.291,38 3.872,39 3.979,40 3.372,41 3.101,42 5.406,43 3.16,44 3.722,45 3.827,46 3.241,47 2.957,48 5.378,49 3.008,50 3.579,51 3.709,52 3.031,53 2.921,54 4.974,55 2.924,56 0.187,57 0.449,58 3.044,59 2.402,60 12.579,61 2.246,62 0.409,63 0.672,64 5.529,65 3.767,66 53.547,67 3.487,68 0.372,69 0.775,70 8.643,71 4.676,72 35.268,73 4.845,74 0.576,75 0.74,76 12.157,77 4.699,78 70.641,79 4.309,80 0.454,81 0.613,82 8.754,83 3.712,84 57.756,85 3.104,86 0.454,87 0.523,88 6.817,89 3.195,90 52.677,91 2.57,92 0.482,93 0.438,94 6.202,95 2.767,96 53.827,97 2.443,98 0.238,99 0.4,100 4.899,101 2.686,102 29.878,103 2.726,104 11,105 33,106 0.317,107 0.612,108 0.752,109 0.832,110 0.848,111 0.848,112 3.146,113 0.788,114 -3.94,115 -3.89,116 -3.69,119 48.4,135 1,138 1,142 6,143 2,144 1,145 2,158 2,166 2,172 7,174 3,175 7,183 6,187 1,188 15,196 3,200 13,208 1,212 1,213 7,221 3,224 4,225 4,233 5,238 4,239 1,247 5,252 1,253 3,261 4,265 2,266 5,274 2,278 636,279 14.792,280 14.792,281 14.792,282 14.792,283 14.792,284 12.569,285 12.142,286 8.784,287 15.06,288 11.85,289 11.85,290 11.85,291 11.85,292 11.85,293 8.503,294 12.906,295 4.193,296 12.266,297 3.222,298 1.614,299 0.847,300 0.411,301 0.323,302 0.323,303 3.826,306 1,307 1,308 1,309 467,310 2.646,313 62.587,314 150.353,321 1.686,322 31.368,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 49.5,334 219,335 4.417,336 3.788,337 6.335,338 4.001,339 3.048,340 4.018,341 2.612,342 9.724,343 2.9,344 4.23,345 3.773,346 5.952,347 3.741,348 2.763,349 3.813,350 1.759,351 8.343,352 2.7,353 3.969,354 3.005,355 5.815,356 3.521,357 2.545,358 3.494,359 0.918,360 7.898,361 2.475,362 3.741,363 2.553,364 5.289,365 3.314,366 2.324,367 3.167,369 6.718,370 2.291,371 3.16,372 2.223,373 4.348,374 2.509,375 1.556,376 2.356,378 4.032,379 1.478,380 3,381 1.939,382 4.142,383 2.442,384 1.462,385 2.136,387 3.603,388 1.423,389 2.734,390 1.564,391 3.713,392 2.15,393 1.196,394 1.694,396 2.918,397 1.126,398 2.598,399 1.382,400 3.571,401 2,402 1.027,403 1.527,405 2.646,406 1,407 2.5,408 1,409 3.414,410 1.994,411 1,412 1.5,414 2.275,415 0.987,416 2.5,417 1,418 3.247,419 1.956,420 1,421 1.5,423 2.136,424 0.953,425 1.313,426 1,427 2.809,428 0.894,429 -0.061,430 -0.078,432 -0.164,433 -0.058,434 1,435 0.801,436 2.497,437 0.543,438 -0.438,439 -0.575,441 -1.051,442 -0.427,443 0.966,444 -0.015,445 2,446 0.343,447 -0.664,448 -1.029,450 -1.55,451 -0.655,452 0.883,453 -0.262,454 1.873,456 -1,457 -1.393,459 -2,460 -0.972,461 0.5,462 -0.68,463 1.829,465 -1,466 -1.5,468 -2.347,469 -1,470 10.033,471 0.456,472 0.541,473 0.025,474 34,475 1.545,476 19.5,477 0.886,478 14.5,479 0.659,480 11.242,481 0.511,482 22.367,483 0.722,484 24.013,485 1.092,486 7.065,487 0.321,488 3.567,489 0.162,490 0.1,492 0.339,497 0.503,498 1.075,499 0.544,500 0.921,501 0.526,502 0.807,503 0.542,504 1.108,505 0.721,506 1.022,507 0.447,508 0.961,509 0.73,510 1.199,511 0.888,512 1.207,513 0.593,514 1.131,515 1.341,516 0.942,517 1.181,518 0.907,519 1.126,520 0.948,521 1.38,522 0.903,523 1.067,524 0.893,525 1.224,526 0.861,527 1.297,528 0.863,529 1.132,530 0.971,531 1.333,532 1.004,533 0.973,534 0.863,535 1.004,536 0.875,537 1.146,538 0.942,539 0.821,540 1.121,541 0.982,542 1.197,543 1.009,544 1.185,545 4.5,546 0.082,547 2.444,548 1.354,549 1.023,550 0.744,551 0.401,552 0.249,553 0.161,554 0.063,555 5177,556 19860,557 2.07,558 29,560 7,562 2,568 1.641,569 1.941,570 3.302,571 -0.672,573 1,575 1,578 53.693,579 1.732,580 3.34,581 4.107,582 4.543,583 4.632,584 4.632,585 2.799,586 4.005,587 4.427,588 3.451,589 797.177,590 7.59,591 8842.27,592 1,593 1,595 1,596 153.58,597 1.395,598 4.392,599 0.188,600 0.01,601 0.074,602 0.044,603 0.039,604 0.03,605 0.018,606 0.013,607 0.01,608 0.005,609 0.431,610 0.67,611 1,612 0.797,613 102.09,614 0.133,615 -0.023,616 0.056,617 -0.005,618 -0.031,619 -0.017,620 0.222,621 -0.09,622 -0.02,623 -0.092,624 0.189,625 -0.131,626 -0.001,627 -0.216,628 0.005,629 -0.244,630 0.06,631 -0.151,632 -0.303,633 0.005,634 -0.094,635 0.079,636 -0.178,637 0.088,638 -0.3,639 0.067,640 -0.083,641 0.067,642 -0.205,643 0.082,644 -0.107,645 0.104,646 -0.199,647 -0.025,648 -0.198,649 -0.131,650 0.236,651 0.082,652 -0.041,653 0.09,654 0.041,655 -0.04,656 0.003,657 -0.198,658 -0.062,659 -0.201,660 -0.108,661 -0.183,662 2.5,663 4.804,664 0.773,665 19.355,666 1.041,667 1.115,668 2.708,669 7.335,670 0.714,671 3.219,672 3.526,673 3.761,674 3.97,675 4.159,676 4.205,677 4.304,678 4.344,679 4.466,680 4.394,681 5.878,682 0.726,683 295.27,684 3.219,685 4.745,686 5.58,687 6.441,688 7.295,689 8.161,690 9.023,691 9.893,692 10.76,693 11.632,694 9.7,703 1,704 1,705 1,709 8,710 1,714 3,716 12,729 1,735 31,737 17,738 1,739 24,741 33,742 15,743 11,744 2,745 4,746 4,748 3,749 3,762 15,767 5,769 1,772 3,774 1,775 1,776 3,779 1,780 1,783 9,784 6,786 7,792 3,796 1,797 4,808 1,814 1,815 2,831 1,833 2,842 3,850 22,859 1,872 12.9,875 1,877 1,878 2,879 11.333,880 5.767,881 4.833,882 1.711,884 3.216,885 1.474,886 0.976,887 3.667,888 10.003,889 3.584,890 4.174,891 4.71,892 5.223,893 5.748,894 6.003,895 6.432,896 6.685,897 7.145,898 7.364,899 0.857,900 31,901 8.062,903 3.479,904 8.25,905 14.542,907 11.496,909 2.75,910 60.5,914 105.94,915 108.319,916 39.241,918 86.892,921 108.319,922 192.832,923 39.241,924 5.67,926 66.334,927 80.235,928 55.008,930 82.398,931 50.747,932 105.94,933 147.56,934 86.892,937 105.94,938 36.145,939 50.747,941 34.88,942 77.991,943 34.689,945 105.94,946 126.133,947 108.319,950 105.94,951 23.891,952 90.099,954 120.463,955 105.94,956 126.133,957 108.319,959 0.581,960 0.332,961 0.168,962 0.091,963 16,964 7,965 0.091,966 3,968 1,969 3.497,970 167.079,972 17,973 92.107,979 13.959,980 5.78,981 3.04,983 120.463,984 12.373,985 3.946,989 1.177,992 340.392,993 35,995 -0.5,998 33.035,1000 1.563,1001 4.117,1002 -0.298,1005 32.265,1006 34.578,1007 0.35,1008 0.674,1009 0.829,1010 0.917,1011 0.935,1012 0.935,1013 4.796,1014 1.027,1015 5.557,1016 2.918,1017 4.205,1018 4.86,1019 2.999,1020 6.33,1021 4.138,1022 6.015,1023 1,1024 7.096,1025 2.646,1026 3.761,1027 4.62,1028 2.361,1029 7.144,1030 3.671,1031 7.322,1032 1,1033 8.733,1034 2.275,1035 5.765,1036 7.033,1037 4.434,1038 10.2,1039 5.63,1040 8.663,1041 -0.061,1042 10.426,1043 2.136,1044 6.133,1045 7.582,1046 4.506,1047 11.826,1048 5.96,1049 10.033,1050 -0.438,1051 12.154,1052 -0.164,1053 7.606,1054 9.461,1055 6.095,1056 14.369,1057 7.397,1058 11.422,1059 -0.664,1060 13.905,1061 -1.051,1062 8.343,1063 10.379,1064 6.556,1065 16.328,1066 8.084,1067 12.827,1068 -1,1069 15.672,1070 -1.55,1071 9.592,1072 12.016,1073 7.868,1074 18.686,1075 9.298,1076 3.048,1077 -1,1078 17.451,1079 -2,1080 10.506,1081 13.127,1082 8.548,1083 20.797,1084 10.158,1085 2.763,1086 9.724,1087 19.237,1088 -2.347,1089 11.658,1090 14.641,1091 9.705,1092 23.085,1093 11.272,1094 2.545,1095 8.343,1096 21.031,1097 4.018,1098 12.66,1099 15.859,1100 10.509,1101 25.269,1102 12.218,1103 2.324,1104 7.898,1105 22.829,1106 3.813,1107 13.772,1108 17.307,1109 11.58,1110 27.533,1111 13.288,1112 1.556,1113 6.718,1114 24.631,1115 3.494,1116 14.818,1117 18.587,1118 12.452,1119 29.754,1120 14.279,1121 1.462,1122 4.032,1123 26.437,1124 3.167,1125 15.917,1126 20,1127 13.475,1128 32.013,1129 15.331,1130 1.196,1131 3.603,1132 28.246,1133 2.356,1134 16.987,1135 21.318,1136 14.386,1137 34.255,1138 16.347,1139 5052,1140 10036,1141 16.008,1142 22.119,1143 36.533,1144 38.235,1145 36.769,1146 35.836,1147 35.846,1148 50.411,1149 10.579,1150 100.586,1151 34.665,1152 5.286,1153 5.788,1154 6.137,1155 5.05,1156 5.048,1157 7.018,1158 4.612,1159 16.326,1160 4.9,1161 10.252,1162 1.522,1163 1.593,1164 1.532,1165 1.493,1166 1.494,1167 2.1,1168 0.441,1169 4.191,1170 1.444,1171 4.02,1172 4.043,1173 3.988,1174 3.901,1175 7.815,1176 3.913,1177 3.896,1178 3.928,1179 3.852,1180 3.792,1181 7.433,1182 3.797,1183 3.69,1184 3.708,1185 3.667,1186 3.461,1187 6.999,1188 3.503,1189 3.434,1190 3.451,1191 3.403,1192 3.07,1193 4.954,1194 3.148,1195 2.975,1196 3.01,1197 2.887,1198 2.781,1199 4.848,1200 2.811,1201 2.854,1202 2.925,1203 2.735,1204 2.735,1205 4.552,1206 2.715,1207 2.766,1208 2.842,1209 2.687,1210 2.537,1211 3.992,1212 2.564,1213 2.747,1214 2.759,1215 2.619,1216 2.459,1217 3.786,1218 2.521,1219 0.184,1220 0.158,1221 0.264,1222 0.167,1223 0.127,1224 4.417,1225 0.167,1226 3.788,1227 0.109,1228 6.335,1229 0.405,1230 4.001,1231 0.121,1232 3.048,1233 4.018,1234 2.612,1235 9.724,1236 2.9,1237 1.923,1238 1.899,1239 2.012,1240 2.081,1241 1.098,1242 2.044,1243 1.859,1244 1.827,1245 1.964,1246 1.975,1247 1.009,1248 1.974,1249 1.422,1250 1.395,1251 1.517,1252 1.699,1253 0.551,1254 1.602,1255 1.269,1256 1.259,1257 1.303,1258 1.583,1259 0.283,1260 1.536,1261 0.899,1262 0.898,1263 1.181,1264 1.302,1265 0.218,1266 1.206,1267 0.886,1268 0.821,1269 1.065,1270 1.062,1271 0.084,1272 1.107,1273 0.819,1274 0.77,1275 0.952,1276 1.021,1278 1.04,1279 0.684,1280 0.605,1281 0.925,1282 0.95,1284 0.95,1285 3.892,1287 5.198,1288 2.398,1289 6.691,1290 4.727,1291 8.259,1292 6.804,1293 9.865,1304 5.085,1312 22.504,1313 53.693,1314 103.541,1315 127.315,1316 140.825,1317 143.58,1318 143.58,1319 38.652,1320 6.787,1321 101.81,1322 101.81,1323 17,1324 12.175,1325 4.17,1326 3.585,1327 34.61,1328 77,1329 70,1330 0.223,1331 139.569,1332 250.94,1333 332.309,1334 7262,1336 15.527,1337 0.706,1338 0.508,1339 15.527,1340 11.171,1341 10.631,1342 0.443,1343 0.263,1344 6.19,1345 10.067,1346 6.108,1347 5.067,1348 10.631,1349 6.307,1350 9.627,1351 0.292,1352 0.134,1353 9.627,1354 4.426,1355 7.872,1356 0.187,1357 0.07,1358 7.872,1359 2.933,1360 6.235,1361 0.12,1362 0.036,1363 6.235,1364 1.878,1365 4.867,1366 0.077,1367 0.019,1368 4.867,1369 1.194,1370 0.351,1371 67.987,1372 0.25,1373 21.914,1374 0.608,1375 114,1376 453.877,1377 130.261,1378 430.267,1379 569.43,1380 396,1381 132,1382 417.204,1383 148.072,1384 413.365,1385 597.32,1386 386,1387 6.536} {0 CHEMBL1094004,1 1.597,2 9.19,3 2.146,4 4.605,5 77.637,6 8.494,7 0.522,8 3.626,9 3.706,10 3.308,11 3.192,12 4.878,13 3.21,14 4.084,15 4.2,16 3.63,17 3.509,18 5.373,19 3.521,20 4.181,21 4.325,22 3.591,23 3.541,24 5.433,25 3.526,26 4.198,27 4.376,28 3.464,29 3.443,30 5.34,31 3.422,32 4.129,33 4.297,34 3.515,35 3.373,36 5.427,37 3.376,38 4.049,39 4.192,40 3.38,41 3.233,42 5.431,43 3.252,44 3.848,45 4.01,46 3.104,47 3.07,48 5.17,49 3.059,50 3.657,51 3.812,52 2.836,53 3.007,54 4.814,55 2.932,56 0.06,57 0.439,58 4.842,59 2.849,60 4.694,61 3.035,62 0.319,63 0.681,64 9.718,65 4.378,66 24.655,67 4.698,68 0.229,69 0.752,70 11.077,71 5.084,72 21.084,73 5.788,74 0.295,75 0.752,76 13.097,77 5.12,78 27.926,79 5.793,80 0.369,81 0.703,82 12.103,83 4.713,84 25.276,85 5.487,86 0.373,87 0.614,88 11.068,89 4.159,90 41.589,91 4.171,92 0.354,93 0.499,94 9.629,95 3.503,96 34.815,97 3.639,98 0.146,99 0.425,100 6.818,101 3.232,102 16.778,103 3.644,104 6,105 31,106 0.292,107 0.631,108 0.789,109 0.886,110 0.898,111 0.898,112 3.103,113 0.826,114 -3.62,115 -3.59,116 -3.42,119 48.5,124 1,135 1,138 1,142 6,143 2,144 1,145 2,158 2,172 7,174 2,175 7,183 6,187 1,188 11,196 3,200 7,208 1,212 3,213 7,221 3,224 2,225 3,233 4,238 1,239 3,247 5,253 3,261 4,266 2,274 2,278 535,279 14.455,280 14.455,281 14.455,282 14.455,283 14.455,284 12.537,285 11.502,286 8.687,287 14.846,288 11.326,289 11.326,290 11.326,291 11.326,292 11.326,293 8.361,294 12.413,295 4.1,296 11.851,297 3.448,298 1.6,299 0.735,300 0.205,301 0.144,302 0.144,303 3.785,306 1,307 1,308 1,309 414,310 2.236,313 56.353,314 139.883,321 1.533,322 20.853,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 46,334 193,335 4.414,336 3.783,337 6.341,338 4.002,339 3.051,340 3.948,341 1.759,342 9.76,343 2.898,344 4.088,345 3.055,346 5.899,347 3.67,348 2.687,349 3.648,350 0.918,351 8.289,352 2.639,353 3.834,354 2.747,355 5.321,356 3.409,357 2.438,358 3.319,359 0.86,360 6.887,361 2.365,362 3.537,363 2.55,364 5.223,365 3.128,366 2.174,367 2.823,369 6.419,370 2.056,371 3.002,372 2.016,373 4.234,374 2.485,375 1.527,376 2.151,378 3.778,379 1.456,380 2.88,381 1.73,382 4.127,383 2.335,384 1.371,385 1.962,387 3.492,388 1.313,389 2.674,390 1.395,391 3.572,392 2.149,393 1.196,394 1.648,396 2.914,397 1.126,398 2.539,399 1.191,400 3.48,401 1.994,402 1.029,403 1.5,405 2.495,406 0.985,407 2.5,408 1,409 3.247,410 1.956,411 1,412 1.485,414 2.136,415 0.953,416 1.583,417 0.936,418 2.811,419 1.293,420 0.427,421 0.48,423 0.621,424 0.366,425 1.302,426 0.788,427 2.702,428 0.891,429 -0.063,430 -0.081,432 -0.169,433 -0.06,434 0.902,435 -0.046,436 2.503,437 0.416,438 -0.579,439 -0.754,441 -1.334,442 -0.565,443 0.764,444 -0.379,445 1.873,446 0.302,447 -0.685,448 -0.993,450 -1.545,451 -0.665,452 0.585,453 -0.612,454 1.723,455 0.142,456 -0.815,457 -1.086,459 -2.117,460 -0.769,461 0.5,462 -0.759,463 1.612,464 -0.024,465 -1,466 -1.5,468 -2.347,469 -0.973,470 9.8,471 0.467,472 0.414,473 0.02,474 30.75,475 1.464,476 17,477 0.81,478 13.75,479 0.655,480 11.684,481 0.556,482 21.4,483 0.648,484 21.009,485 1,486 6.523,487 0.311,488 3.736,489 0.178,490 0.085,492 0.306,497 0.771,498 1.22,499 0.643,500 1.065,501 0.62,502 0.876,503 0.931,504 0.977,505 0.807,506 0.865,507 0.657,508 0.817,509 0.887,510 1.171,511 0.926,512 1.133,513 0.761,514 1.06,515 1.189,516 1.048,517 1.033,518 0.988,519 1.007,520 0.97,521 0.93,522 0.934,523 0.818,524 0.93,525 0.931,526 0.861,527 1.588,528 1.009,529 1.147,530 0.996,531 2.067,532 0.98,533 1.456,534 0.704,535 1.158,536 0.759,537 1.602,538 0.853,539 0.994,540 1.155,541 1.273,542 1.24,543 1.28,544 1.321,545 4,546 0.033,547 1.778,548 1.229,549 1.063,550 0.57,551 0.408,552 0.218,553 0.058,554 0.063,555 4458,556 13659,557 2.102,558 36.4,560 10,562 2,568 1.631,569 2,570 3.207,571 -0.75,573 1,575 1,578 52.691,579 1.597,580 3.445,581 4.309,582 4.84,583 4.9,584 4.9,585 2.701,586 4.011,587 4.363,588 3.321,589 697.426,590 7.47,591 7410.72,592 1,593 1,595 1,596 166.465,597 1.268,598 4.338,599 0.174,600 0.004,601 0.057,602 0.042,603 0.043,604 0.022,605 0.019,606 0.013,607 0.004,608 0.006,609 0.384,610 0.67,611 1,612 0.741,613 95.082,614 -0.04,615 -0.204,616 0.057,617 -0.122,618 -0.075,619 -0.034,620 0.077,621 0.043,622 0.031,623 0.073,624 0.07,625 0.048,626 -0.018,627 -0.18,628 -0.052,629 -0.18,630 0.053,631 -0.138,632 -0.174,633 -0.065,634 -0.051,635 -0.03,636 -0.134,637 -0.011,638 0.162,639 0.063,640 0.169,641 0.019,642 0.15,643 0.08,644 -0.152,645 -0.035,646 -0.144,647 -0.059,648 -0.19,649 -0.097,650 -0.127,651 0.259,652 -0.136,653 0.204,654 -0.064,655 0.079,656 -0.168,657 -0.234,658 -0.378,659 -0.248,660 -0.203,661 -0.347,662 2.142,663 4.86,664 0.81,665 16.454,666 1.018,667 1.112,668 2.391,669 5.716,670 0.702,671 3.178,672 3.466,673 3.714,674 3.951,675 4.143,676 4.127,677 4.234,678 4.304,679 4.317,680 4.263,681 5.448,682 0.692,683 280.3,684 3.178,685 4.691,686 5.525,687 6.385,688 7.239,689 8.106,690 8.968,691 9.838,692 10.706,693 11.578,694 6.1,703 1,704 1,709 8,710 1,714 3,716 12,733 1,735 33,737 15,738 1,739 23,741 35,742 16,743 11,744 2,745 4,746 4,748 3,749 3,762 15,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 12,784 5,786 5,792 2,796 1,797 3,808 1,814 1,815 2,831 1,833 2,842 3,846 1,850 21,859 2,872 9.1,875 1,877 2,879 10.5,880 6.4,881 4.722,882 1.803,884 3.044,885 1.455,886 0.979,887 3.692,888 9.731,889 3.497,890 4.06,891 4.625,892 5.16,893 5.689,894 5.845,895 6.258,896 6.605,897 6.964,898 7.193,899 1,900 29,901 7.697,903 3.218,904 7.881,905 14.32,907 11.206,909 2.381,910 50,914 141.253,915 121.689,916 33.571,918 47.145,921 121.689,922 188.398,923 33.571,924 10.883,926 66.334,927 80.235,928 68.495,930 117.711,932 141.253,933 155.26,934 47.145,937 141.253,938 47.145,941 34.88,942 91.361,943 29.019,945 141.253,946 80.716,947 121.689,950 141.253,951 26.377,952 95.312,954 80.716,955 141.253,956 80.716,957 121.689,959 0.569,960 0.333,961 0.178,962 0.099,963 15,964 6,965 0.086,966 3,968 1,969 3.413,970 157.462,972 17,973 90.239,979 13.376,980 5.796,981 2.946,983 80.716,984 14.145,985 3.99,989 2.16,992 343.658,993 32,998 11.86,1000 1.641,1001 4.233,1002 0.048,1005 33.604,1006 36.701,1007 0.317,1008 0.683,1009 0.854,1010 0.959,1011 0.971,1012 0.971,1013 4.7,1014 1.029,1015 5.485,1016 2.914,1017 4.143,1018 4.745,1019 2.337,1020 6.248,1021 4.06,1022 5.899,1023 1,1024 7.009,1025 2.495,1026 3.611,1027 4.35,1029 7.018,1030 3.505,1031 7.19,1032 0.427,1033 8.631,1034 2.136,1035 5.687,1036 6.879,1037 3.121,1038 10.101,1039 5.529,1040 8.517,1041 -0.063,1042 10.311,1043 0.621,1044 5.994,1045 7.282,1047 11.703,1048 5.795,1049 9.873,1050 -0.579,1051 12.027,1052 -0.169,1053 7.507,1054 9.258,1055 4.132,1056 14.269,1057 7.272,1058 11.252,1059 -0.685,1060 13.768,1061 -1.334,1062 8.211,1063 10.058,1065 16.225,1066 7.923,1067 12.647,1068 -0.815,1069 15.527,1070 -1.545,1071 9.482,1072 11.762,1073 5.227,1074 18.602,1075 9.16,1076 3.051,1077 -1,1078 17.299,1079 -2.117,1080 10.383,1081 12.784,1083 20.721,1084 10.002,1085 2.687,1086 9.76,1087 19.081,1088 -2.347,1089 11.548,1090 14.339,1091 6.347,1092 23.027,1093 11.13,1094 2.438,1095 8.289,1096 20.872,1097 3.948,1098 12.548,1099 15.491,1101 25.223,1102 12.07,1103 2.174,1104 6.887,1105 22.669,1106 3.648,1107 13.669,1108 16.962,1109 7.474,1110 27.503,1111 13.149,1112 1.527,1113 6.419,1114 24.472,1115 3.319,1116 14.719,1117 18.194,1119 29.736,1120 14.14,1121 1.371,1122 3.778,1123 26.279,1124 2.823,1125 15.825,1126 19.615,1127 8.603,1128 32.008,1129 15.198,1130 1.196,1131 3.492,1132 28.091,1133 2.151,1134 16.901,1135 20.897,1137 34.26,1138 16.217,1139 4337,1140 7719,1141 15.603,1142 23.182,1143 34.279,1144 35.552,1145 34.612,1146 33.711,1147 33.8,1148 45.927,1149 7.074,1150 93.583,1151 32.317,1152 5.284,1153 5.783,1154 6.143,1155 5.052,1156 5.051,1157 6.948,1158 3.519,1159 16.403,1160 4.898,1161 7.973,1162 1.49,1163 1.546,1164 1.505,1165 1.466,1166 1.47,1167 1.997,1168 0.308,1169 4.069,1170 1.405,1171 3.985,1172 4.006,1173 3.949,1174 3.886,1175 7.433,1176 3.895,1177 3.865,1178 3.896,1179 3.807,1180 3.783,1181 4.973,1182 3.785,1183 3.639,1184 3.654,1185 3.603,1186 3.448,1187 4.881,1188 3.483,1189 3.249,1190 3.311,1191 3.084,1192 2.989,1193 4.724,1194 3.001,1195 3.012,1196 3.056,1197 2.908,1198 2.884,1199 4.327,1200 2.882,1201 2.867,1202 2.893,1203 2.798,1204 2.7,1205 3.992,1206 2.709,1207 2.756,1208 2.838,1209 2.619,1210 2.61,1211 3.786,1212 2.588,1213 2.751,1214 2.817,1215 2.56,1216 2.52,1217 3.61,1218 2.538,1219 0.192,1220 0.164,1221 0.276,1222 0.174,1223 0.133,1224 4.414,1225 0.172,1226 3.783,1227 0.076,1228 6.341,1229 0.424,1230 4.002,1231 0.126,1232 3.051,1233 3.948,1234 1.759,1235 9.76,1236 2.898,1237 1.896,1238 1.875,1239 1.994,1240 1.994,1241 1.081,1242 1.994,1243 1.856,1244 1.826,1245 1.962,1246 1.967,1247 1.008,1248 1.968,1249 1.416,1250 1.392,1251 1.574,1252 1.591,1253 0.578,1254 1.566,1255 1.217,1256 1.174,1257 1.514,1258 1.531,1259 0.548,1260 1.531,1261 1.092,1262 1.053,1263 1.221,1264 1.368,1265 0.273,1266 1.31,1267 0.84,1268 0.806,1269 1.066,1270 1.041,1271 0.139,1272 1.054,1273 0.791,1274 0.723,1275 1.064,1276 0.983,1277 0.083,1278 1.017,1279 0.694,1280 0.619,1281 0.946,1282 0.957,1284 0.963,1285 3.85,1287 5.142,1288 2.398,1289 6.627,1290 4.727,1291 8.192,1292 6.804,1293 9.797,1295 1.579,1304 10.344,1312 22.821,1313 52.691,1314 113.671,1315 142.2,1316 159.71,1317 161.71,1318 161.71,1319 27.673,1320 6.687,1321 65.22,1322 65.22,1323 17,1324 12.121,1325 4,1326 3.322,1327 32.205,1328 69,1329 63,1330 0.235,1331 141.298,1332 251.09,1333 336.528,1334 6401,1336 14.656,1337 0.698,1338 0.539,1339 14.656,1340 11.315,1341 10.258,1342 0.446,1343 0.275,1344 6.215,1345 9.786,1346 6.066,1347 5.068,1348 10.258,1349 6.331,1350 8.91,1351 0.287,1352 0.14,1353 8.91,1354 4.354,1355 7.513,1356 0.188,1357 0.073,1358 7.513,1359 2.925,1360 6.083,1361 0.119,1362 0.037,1363 6.083,1364 1.908,1365 4.901,1366 0.079,1367 0.02,1368 4.901,1369 1.221,1370 0.365,1371 64.968,1372 0.253,1373 20.886,1374 0.654,1375 108,1376 378.497,1377 120.963,1378 358.486,1379 487.23,1380 336,1381 125,1382 356.384,1383 137.911,1384 360.028,1385 523.08,1386 336,1387 6.403} {0 CHEMBL1094005,1 1.711,2 9.435,3 2.543,4 6.467,5 83.54,6 9.097,7 0.48,8 3.669,9 3.749,10 3.397,11 3.229,12 5.011,13 3.255,14 4.122,15 4.228,16 3.751,17 3.576,18 5.615,19 3.598,20 4.265,21 4.4,22 3.749,23 3.632,24 5.619,25 3.636,26 4.367,27 4.542,28 3.664,29 3.533,30 5.689,31 3.549,32 4.265,33 4.422,34 3.637,35 3.391,36 5.729,37 3.446,38 4.049,39 4.144,40 3.565,41 3.205,42 5.736,43 3.287,44 3.856,45 3.978,46 3.298,47 3.11,48 5.297,49 3.157,50 3.748,51 3.873,52 3.131,53 3.056,54 5.461,55 3.036,56 0.176,57 0.489,58 4.063,59 2.757,60 9.654,61 2.803,62 0.413,63 0.741,64 8.151,65 4.432,66 56.039,67 4.682,68 0.323,69 0.854,70 9.821,71 5.255,72 31.836,73 5.685,74 0.546,75 0.886,76 14.806,77 5.559,78 60.104,79 5.735,80 0.611,81 0.769,82 13.895,83 4.968,84 81.243,85 4.691,86 0.679,87 0.602,88 9.33,89 3.58,90 77.26,91 2.886,92 0.381,93 0.508,94 7.857,95 3.203,96 42.852,97 2.668,98 0.355,99 0.465,100 6.349,101 3.222,102 65.751,103 3.393,104 18,105 35,106 0.308,107 0.67,108 0.797,109 0.87,110 0.88,111 0.88,112 3.188,113 0.807,114 -4.19,115 -4.13,116 -3.9,119 47.1,120 1,135 1,138 1,142 5,143 3,144 1,145 2,158 2,166 2,172 8,174 3,175 7,183 7,187 1,188 16,196 5,200 13,208 2,212 3,213 9,221 3,224 6,225 5,233 4,238 1,239 3,247 5,252 2,253 6,261 5,266 4,274 3,278 707,279 15.292,280 15.292,281 15.292,282 15.292,283 15.292,284 13.017,285 12.736,286 8.999,287 15.557,288 12.334,289 12.334,290 12.334,291 12.334,292 12.334,293 8.9,294 12.784,295 4.29,296 12.746,297 3.377,298 1.364,299 0.658,300 0.257,301 0.199,302 0.199,303 3.865,306 1,307 1,308 1,309 460,310 2.739,313 63.642,314 156.769,321 1.633,322 33.124,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 51.5,334 217,335 4.478,336 3.813,337 6.439,338 4.052,339 3.09,340 4.176,341 2.612,342 9.964,343 2.978,344 4.311,345 3.775,346 6.253,347 3.87,348 2.9,349 3.824,350 1.759,351 9.295,352 2.805,353 3.95,354 3.016,355 5.828,356 3.518,357 2.539,358 3.469,359 0.918,360 7.969,361 2.477,362 3.726,363 2.622,364 5.288,365 3.294,366 2.304,367 3.15,369 6.708,370 2.273,371 3.436,372 2.547,373 4.703,374 2.861,375 1.875,376 2.753,378 4.77,379 1.847,380 3.002,381 2.005,382 4.291,383 2.484,384 1.525,385 2.15,387 3.833,388 1.456,389 2.84,390 1.671,391 4.136,392 2.223,393 1.257,394 1.849,396 3.522,397 1.2,398 2.629,399 1.389,400 3.606,401 2.128,402 1.191,403 1.596,405 2.912,406 1.102,407 2.607,408 1.34,409 3.571,410 2,411 1,412 1.573,414 2.419,415 1,416 2.5,417 1,418 3.247,419 1.956,420 1,421 1.5,423 2.136,424 0.953,425 1.357,426 1,427 2.818,428 0.947,429 -0.03,430 -0.039,432 -0.076,433 -0.029,434 1.196,435 0.808,436 2.658,437 0.856,438 -0.108,439 -0.134,441 -0.267,442 -0.104,443 1,444 0.303,445 2.316,446 0.364,447 -0.649,448 -0.963,450 -1.518,451 -0.641,452 0.895,453 -0.066,454 2,455 0.183,456 -0.803,457 -1.122,459 -2,460 -0.788,461 0.659,462 -0.611,463 1.873,465 -1,466 -1.276,468 -2.347,469 -0.965,470 10.533,471 0.458,472 0.63,473 0.027,474 34.5,475 1.5,476 19.5,477 0.848,478 15,479 0.652,480 13.316,481 0.579,482 23.667,483 0.696,484 25.331,485 1.101,486 7.121,487 0.31,488 3.921,489 0.17,490 0.142,492 0.37,497 0.494,498 1.1,499 0.577,500 0.955,501 0.522,502 0.841,503 0.515,504 1.043,505 0.649,506 0.939,507 0.423,508 0.86,509 0.7,510 1.283,511 0.871,512 1.255,513 0.599,514 1.152,515 1.211,516 1.037,517 1.076,518 0.997,519 0.986,520 0.977,521 1.461,522 0.79,523 1.029,524 0.823,525 1.535,526 0.795,527 1.374,528 0.959,529 1.101,530 0.883,531 1.496,532 0.915,533 1.514,534 0.813,535 1.137,536 0.852,537 1.371,538 0.861,539 0.675,540 1.138,541 1.081,542 1.244,543 0.624,544 1.293,545 5,546 0.099,547 2.667,548 1.667,549 1.294,550 0.855,551 0.456,552 0.425,553 0.074,554 0.142,555 5536,556 19895,557 2.041,558 32.4,559 3,560 6,562 2,568 1.657,569 1.89,570 3.235,571 -0.686,573 1,575 1,578 58.165,579 1.711,580 3.724,581 4.43,582 4.83,583 4.889,584 4.889,585 2.719,586 4.002,587 4.495,588 3.396,589 859.197,590 7.738,591 9765.21,592 1,593 1,595 1,596 172.974,597 1.478,598 4.443,599 0.2,600 0.008,601 0.076,602 0.049,603 0.043,604 0.029,605 0.018,606 0.02,607 0.004,608 0.011,609 0.459,610 0.5,611 1,612 0.832,613 107.595,614 0.139,615 -0.026,616 0.057,617 -0.008,618 -0.029,619 -0.015,620 0.246,621 -0.017,622 0.115,623 0.025,624 0.214,625 0.029,626 0.006,627 -0.278,628 -0.043,629 -0.29,630 0.035,631 -0.211,632 -0.224,633 -0.064,634 -0.047,635 -0.036,636 -0.107,637 0.017,638 -0.224,639 0.164,640 0.033,641 0.135,642 -0.236,643 0.159,644 0.113,645 0.024,646 -0.148,647 0.03,648 -0.059,649 -0.117,650 -0.308,651 0.158,652 -0.202,653 0.102,654 -0.246,655 0.024,656 0.24,657 -0.206,658 -0.183,659 -0.249,660 0.45,661 -0.331,662 2.484,663 4.889,664 0.739,665 19.206,666 1.034,667 1.117,668 2.958,669 8.748,670 0.702,671 3.258,672 3.584,673 3.829,674 4.06,675 4.248,676 4.277,677 4.369,678 4.5,679 4.522,680 4.431,681 5.756,682 0.707,683 309.3,684 3.258,685 4.796,686 5.638,687 6.512,688 7.375,689 8.252,690 9.123,691 10.003,692 10.878,693 11.76,694 8.8,703 1,704 1,705 1,709 7,710 1,714 4,716 12,729 1,735 34,737 17,738 1,739 25,741 36,742 16,743 11,744 3,745 3,746 4,748 3,749 3,754 1,762 15,763 1,767 5,769 1,772 3,774 1,775 1,776 3,779 1,780 1,783 11,784 6,786 7,792 3,796 1,797 4,808 1,814 1,815 2,831 1,833 2,842 3,846 1,850 23,859 1,872 11.8,875 1,877 1,878 2,879 12.167,880 6.683,881 5.028,882 1.913,884 3.235,885 1.47,886 0.971,887 3.899,888 10.116,889 3.611,890 4.22,891 4.762,892 5.301,893 5.827,894 6.068,895 6.447,896 6.842,897 7.154,898 7.412,899 1,900 34,901 8.458,903 3.655,904 8.203,905 15.316,907 12.144,909 2.703,910 62.167,914 129.482,915 110.854,916 39.241,918 86.892,921 110.854,922 216.374,923 39.241,924 14.495,926 56.857,927 80.235,928 58.194,930 105.94,931 50.747,932 129.482,933 150.095,934 86.892,937 129.482,938 36.145,939 50.747,941 43.706,942 71.701,943 34.689,945 129.482,946 126.133,947 110.854,950 129.482,951 27.076,952 89.448,954 120.463,955 129.482,956 126.133,957 110.854,959 0.586,960 0.338,961 0.177,962 0.095,963 17,964 8,965 0.083,966 3,968 1,969 3.505,970 180.929,972 17,973 102.042,979 14.917,980 6.012,981 3.113,983 120.463,984 11.278,985 3.95,989 1.56,992 366.469,993 36,995 -0.484,998 33.885,1000 1.547,1001 4.12,1002 -0.434,1005 35.149,1006 37.993,1007 0.336,1008 0.732,1009 0.871,1010 0.949,1011 0.961,1012 0.961,1013 4.836,1014 1.191,1015 5.631,1016 3.522,1017 4.263,1018 4.905,1019 2.999,1020 6.431,1021 4.2,1022 6.067,1023 1,1024 7.189,1025 2.912,1026 3.892,1027 4.745,1028 2.361,1029 7.302,1030 3.813,1031 7.385,1032 1,1033 8.845,1034 2.419,1035 5.849,1036 7.102,1037 4.434,1038 10.379,1039 5.724,1040 8.737,1041 -0.03,1042 10.558,1043 2.136,1044 6.275,1045 7.718,1046 4.506,1047 12.054,1048 6.121,1049 10.117,1050 -0.108,1051 12.305,1052 -0.076,1053 7.724,1054 9.563,1055 6.095,1056 14.632,1057 7.533,1058 11.517,1059 -0.649,1060 14.076,1061 -0.267,1062 8.509,1063 10.545,1064 6.556,1065 16.637,1066 8.28,1067 12.933,1068 -0.803,1069 15.863,1070 -1.518,1071 9.751,1072 12.165,1073 7.868,1074 19.029,1075 9.488,1076 3.09,1077 -1,1078 17.663,1079 -2,1080 10.704,1081 13.338,1082 8.548,1083 21.181,1084 10.401,1085 2.9,1086 9.964,1087 19.471,1088 -2.347,1089 11.861,1090 14.85,1091 9.705,1092 23.501,1093 11.524,1094 2.539,1095 9.295,1096 21.287,1097 4.176,1098 12.894,1099 16.127,1100 10.509,1101 25.719,1102 12.515,1103 2.304,1104 7.969,1105 23.108,1106 3.824,1107 14.018,1108 17.586,1109 11.58,1110 28.012,1111 13.604,1112 1.875,1113 6.708,1114 24.934,1115 3.469,1116 15.089,1117 18.921,1118 12.452,1119 30.261,1120 14.635,1121 1.525,1122 4.77,1123 26.763,1124 3.15,1125 16.201,1126 20.355,1127 13.475,1128 32.545,1129 15.71,1130 1.257,1131 3.833,1132 28.595,1133 2.753,1134 17.291,1135 21.724,1136 14.386,1137 34.81,1138 16.762,1139 5436,1140 10450,1141 16.414,1142 23.881,1143 38.16,1144 39.891,1145 38.76,1146 37.331,1147 37.361,1148 52.08,1149 10.579,1150 107.056,1151 36.183,1152 5.348,1153 5.813,1154 6.241,1155 5.102,1156 5.09,1157 7.176,1158 4.612,1159 16.638,1160 4.978,1161 11.944,1162 1.526,1163 1.596,1164 1.55,1165 1.493,1166 1.494,1167 2.083,1168 0.423,1169 4.282,1170 1.447,1171 4.037,1172 4.059,1173 4.007,1174 3.923,1175 7.815,1176 3.934,1177 3.899,1178 3.931,1179 3.855,1180 3.799,1181 7.433,1182 3.804,1183 3.684,1184 3.702,1185 3.659,1186 3.469,1187 6.999,1188 3.508,1189 3.461,1190 3.484,1191 3.424,1192 3.085,1193 4.952,1194 3.142,1195 3.18,1196 3.25,1197 3.037,1198 2.998,1199 4.844,1200 3.027,1201 2.95,1202 2.989,1203 2.849,1204 2.776,1205 4.558,1206 2.784,1207 2.756,1208 2.842,1209 2.619,1210 2.551,1211 4.003,1212 2.555,1213 2.743,1214 2.799,1215 2.595,1216 2.51,1217 3.802,1218 2.53,1219 0.179,1220 0.153,1221 0.258,1222 0.162,1223 0.124,1224 4.478,1225 0.167,1226 3.813,1227 0.104,1228 6.439,1229 0.399,1230 4.052,1231 0.119,1232 3.09,1233 4.176,1234 2.612,1235 9.964,1236 2.978,1237 1.947,1238 1.924,1239 2.037,1240 2.095,1241 1.162,1242 2.062,1243 1.86,1244 1.828,1245 1.965,1246 1.975,1247 1.01,1248 1.974,1249 1.426,1250 1.397,1251 1.566,1252 1.693,1253 0.642,1254 1.591,1255 1.289,1256 1.266,1257 1.499,1258 1.588,1259 0.539,1260 1.548,1261 1.18,1262 1.134,1263 1.28,1264 1.493,1265 0.213,1266 1.493,1267 0.905,1268 0.874,1269 1.09,1270 1.221,1271 0.105,1272 1.182,1273 0.825,1274 0.765,1275 1.064,1276 1.019,1277 0.05,1278 1.042,1279 0.69,1280 0.614,1281 0.945,1282 0.956,1284 0.963,1285 3.932,1287 5.252,1288 2.398,1289 6.758,1290 4.727,1291 8.345,1292 6.804,1293 9.973,1295 1.637,1304 5.107,1312 24.031,1313 58.165,1314 126.609,1315 150.609,1316 164.219,1317 166.219,1318 166.219,1319 44.208,1320 6.881,1321 101.81,1322 101.81,1323 17,1324 12.296,1325 4.17,1326 3.585,1327 36.855,1328 79,1329 76,1330 0.232,1331 149.162,1332 268.24,1333 355.714,1334 8073,1336 16.397,1337 0.713,1338 0.526,1339 16.397,1340 12.093,1341 11.042,1342 0.442,1343 0.269,1344 6.606,1345 10.48,1346 6.454,1347 5.38,1348 11.042,1349 6.724,1350 10.167,1351 0.29,1352 0.139,1353 10.167,1354 4.881,1355 8.267,1356 0.184,1357 0.072,1358 8.267,1359 3.261,1360 6.7,1361 0.118,1362 0.037,1363 6.7,1364 2.091,1365 5.234,1366 0.076,1367 0.019,1368 5.234,1369 1.337,1370 0.36,1371 70.451,1372 0.247,1373 22.549,1374 0.643,1375 120,1376 461.877,1377 136.261,1378 438.962,1379 582.52,1380 404,1381 140,1382 428.204,1383 156.239,1384 425.881,1385 616.25,1386 397,1387 6.273} {0 CHEMBL116070,1 1.898,2 8.55,3 3.143,4 9.881,5 81.507,6 12.042,7 0.727,8 3.513,9 3.582,10 3.534,11 3.235,12 4.777,13 3.191,14 3.943,15 4.021,16 3.991,17 3.623,18 5.265,19 3.552,20 4.129,21 4.222,22 4.023,23 3.636,24 5.398,25 3.553,26 4.028,27 4.15,28 3.71,29 3.452,30 5.234,31 3.38,32 3.876,33 4.03,34 3.586,35 3.316,36 5.069,37 3.262,38 3.903,39 4.043,40 3.611,41 3.352,42 5.342,43 3.277,44 3.868,45 4.06,46 3.523,47 3.296,48 4.921,49 3.124,50 3.513,51 3.686,52 3.575,53 3.012,54 4.712,55 2.831,56 0.082,57 0.371,58 0.346,59 2.166,60 7.899,61 2.041,62 0.166,63 0.57,64 1.287,65 3.812,66 20.072,67 3.682,68 0.336,69 0.69,70 17.876,71 6.235,72 25.447,73 4.95,74 0.276,75 0.624,76 17.951,77 5.641,78 24.202,79 4.671,80 0.202,81 0.551,82 8.956,83 4.257,84 16.019,85 4.387,86 0.33,87 0.598,88 2.755,89 3.68,90 32.443,91 3.733,92 0.238,93 0.585,94 9.864,95 4.995,96 24.043,97 4.734,98 0.135,99 0.369,100 14.306,101 4.157,102 10.458,103 4.098,104 11,105 31,106 0.357,107 0.671,108 0.786,109 0.848,110 0.848,111 0.848,112 3.058,113 1.002,114 -3.41,115 -3.39,116 -3.24,117 1,119 48.3,142 5,143 1,144 3,145 2,152 2,158 1,163 1,164 1,165 1,172 3,175 3,177 1,178 1,183 6,187 1,188 7,193 2,196 4,198 2,200 3,205 1,208 2,210 1,213 3,221 4,224 2,225 2,227 2,228 2,233 4,247 3,253 3,258 2,261 1,263 2,266 2,271 2,274 1,276 2,278 488,279 13.378,280 13.378,281 13.378,282 13.378,283 13.378,284 11.328,285 10.938,286 7.836,287 13.859,288 10.866,289 10.866,290 10.866,291 10.866,292 10.866,293 7.79,294 11.167,295 3.749,296 11.777,297 2.96,298 1.285,299 0.676,300 0.345,301 0.345,302 0.345,303 3.736,307 1,308 1,309 366,310 2.646,313 39.057,314 109.204,317 75.218,321 1.25,322 19.205,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 42.75,334 171,335 4.586,336 3.522,337 6.585,338 4.08,339 3.137,340 4.534,341 0.98,342 10.525,343 2.95,344 4.037,345 3.221,346 5.854,347 3.599,348 2.665,349 3.626,350 0.86,351 8.024,352 2.487,353 3.888,354 2.914,355 5.465,356 3.454,357 2.495,358 3.321,360 7.178,361 2.367,362 3.493,363 2.65,364 5.106,365 3.012,366 2.136,367 2.82,369 6.051,370 1.811,371 3.257,372 2.101,373 4.83,374 2.738,375 1.829,376 2.557,378 5.386,379 1.57,380 2.997,381 1.703,382 4.136,383 2.445,384 1.493,385 2.214,387 3.632,388 1.414,389 2.544,390 1.335,391 3.681,392 2,393 1,394 1.5,396 2.468,397 1,398 2.5,399 1,400 3.414,401 1.958,402 1,403 1.467,405 2.275,406 0.934,407 2.106,408 0.928,409 3.339,410 1.545,411 0.688,412 0.949,414 1.832,415 0.572,416 1.442,417 0.524,418 2.855,419 0.98,420 0.128,421 0.163,423 0.309,424 0.094,425 1.014,426 0.119,427 2.332,428 0.493,429 -0.356,430 -0.46,432 -0.84,433 -0.243,434 0.514,435 -0.003,436 2,437 0.058,438 -0.882,439 -1.101,441 -2,442 -0.652,443 0.5,444 -0.525,445 2,447 -1,448 -1.299,450 -2.347,451 -0.913,452 0.5,453 -1,454 2,455 -0.04,456 -1,457 -1.5,459 -2.873,460 -1,461 0.396,462 -1,463 1.715,464 -0.065,465 -1,466 -1.5,468 -3,469 -1.011,470 10.633,471 0.532,472 0.541,473 0.027,474 28.5,475 1.425,476 16,477 0.8,478 12.5,479 0.625,480 14.312,481 0.716,482 19.367,483 0.668,484 16.936,485 0.847,486 5.375,487 0.269,488 4.256,489 0.213,490 0.194,492 0.329,497 0.802,498 0.86,499 0.49,500 0.616,501 0.74,502 0.629,503 0.803,504 0.875,505 0.615,506 0.737,507 0.516,508 0.75,509 1.327,510 1.12,511 1.127,512 1.233,513 1.067,514 1.082,515 1.37,516 1.18,517 0.998,518 1.18,519 1.075,520 1.126,521 0.722,522 1.071,523 0.383,524 0.836,525 0.652,526 0.902,527 0.613,528 0.909,529 0.414,530 0.698,531 0.921,532 0.97,533 0.968,534 0.872,535 0.759,536 0.889,537 0.895,538 1.057,539 0.635,540 1.154,541 1.673,542 1.396,543 0.737,544 1.19,545 4.5,546 0.058,547 2.222,548 1.132,549 1.286,550 0.434,551 0.403,552 0.283,553 0.158,554 0.096,555 3709,556 14403,557 2.077,558 31,560 5,562 2,563 2,568 1.618,569 1.935,570 3.092,571 0.41,573 1,575 1,578 55.049,579 1.898,580 3.573,581 4.182,582 4.513,583 4.513,584 4.513,585 2.485,586 3.784,587 4.292,588 3.195,589 607.072,590 7.335,591 6117.76,592 1,593 1,594 1,595 1,596 140.881,597 1.441,598 4.248,599 0.205,600 0.019,601 0.072,602 0.039,603 0.054,604 0.02,605 0.018,606 0.019,607 0.013,608 0.012,609 0.47,610 0.5,611 1,612 0.843,613 88.066,614 -0.115,615 0.104,616 -0.007,617 0.079,618 -0.155,619 0.074,620 0.008,621 0.075,622 0.008,623 0.076,624 0.132,625 0.031,626 -0.132,627 -0.184,628 -0.145,629 -0.205,630 -0.118,631 -0.174,632 -0.226,633 -0.232,634 -0.153,635 -0.232,636 -0.188,637 -0.198,638 0.084,639 -0.126,640 0.074,641 -0.065,642 0.074,643 0.04,644 0.335,645 0.128,646 0.018,647 0.039,648 0.199,649 -0.121,650 -0.176,651 0.146,652 0.005,653 0.116,654 -0.142,655 0.035,656 0.1,657 -0.227,658 -0.048,659 -0.144,660 0.172,661 0.005,662 2.11,663 4.244,664 0.75,665 13.92,666 1.024,667 1.098,668 2.18,669 4.754,670 0.792,671 3.135,672 3.466,673 3.714,674 3.97,675 4.22,676 4.263,677 4.29,678 4.419,679 4.369,680 4.317,681 5.04,682 0.751,683 349.22,684 3.135,685 4.673,686 5.517,687 6.395,688 7.265,689 8.148,690 9.027,691 9.912,692 10.796,693 11.684,694 6.9,701 1,704 1,708 2,709 7,710 1,713 1,714 4,716 16,722 1,733 1,734 1,735 29,737 17,738 1,739 22,740 1,741 31,742 14,743 13,744 2,745 4,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,783 9,784 4,785 2,786 6,787 2,792 2,796 0.667,797 2,808 1,814 1,815 2,818 1,842 2,844 1,845 1,850 20,851 1,859 1,867 1,871 1,872 6.9,875 1,877 1,879 10.333,880 5.26,881 4.333,882 1.537,884 3.223,885 1.478,886 1.028,887 3.721,888 9.963,889 3.466,890 4.123,891 4.735,892 5.356,893 5.924,894 6.231,895 6.559,896 7.018,897 7.189,898 7.442,899 0.833,900 29,901 7.325,903 3.12,904 7.888,905 13.703,907 11.118,909 2.388,910 47.75,914 82.398,915 119.678,916 95.637,918 36.145,920 31.278,921 134.354,922 118.543,923 49.683,925 32.897,926 47.381,927 70.177,928 45.21,929 2.104,930 90.133,931 45.954,932 82.398,933 138.083,934 36.145,935 31.278,936 45.954,937 82.398,938 36.145,941 50.992,942 70.305,943 16.786,944 77.232,945 82.398,946 85.828,947 165.632,950 82.398,951 54.201,952 65.476,953 45.954,954 85.828,955 82.398,956 85.828,957 165.632,959 0.587,960 0.333,961 0.173,962 0.104,963 16,964 7,965 0.097,966 3,967 1,968 1.133,969 3.247,970 150.995,971 0.133,972 15,973 82.439,975 1,979 13.525,980 5.502,981 2.864,982 1.704,983 85.828,984 12.548,985 4.123,988 1.308,989 2.782,991 32.897,992 333.857,993 31,998 11.244,1002 -0.444,1005 29.698,1006 31.838,1007 0.391,1008 0.736,1009 0.861,1010 0.929,1011 0.929,1012 0.929,1013 4.682,1014 1,1015 5.509,1016 2.468,1017 4.143,1018 4.808,1019 1.481,1020 6.308,1021 3.99,1022 5.916,1023 0.688,1024 7.062,1025 2.275,1026 3.761,1027 4.677,1029 7.172,1030 3.505,1031 7.234,1032 0.128,1033 8.711,1034 1.832,1035 5.727,1036 7.085,1037 1.37,1038 10.252,1039 5.448,1040 8.588,1041 -0.356,1042 10.416,1043 0.309,1044 6.133,1045 7.78,1047 11.948,1048 5.762,1049 9.972,1050 -0.882,1051 12.156,1052 -0.84,1053 7.592,1054 9.665,1055 1.275,1056 14.55,1057 7.2,1058 11.379,1059 -1,1060 13.922,1061 -2,1062 8.366,1063 10.765,1065 16.61,1066 7.89,1067 12.803,1068 -1,1069 15.707,1070 -2.347,1071 9.62,1072 12.43,1073 1.193,1074 19.046,1075 9.114,1076 3.137,1077 -1,1078 17.507,1079 -2.873,1080 10.575,1081 13.737,1083 21.27,1084 9.991,1085 2.665,1086 10.525,1087 19.32,1088 -3,1089 11.746,1090 15.307,1091 1.123,1092 23.648,1093 11.123,1094 2.495,1095 8.024,1096 21.143,1097 4.534,1098 12.791,1099 16.719,1101 25.944,1102 12.095,1103 2.136,1104 7.178,1105 22.974,1106 3.626,1107 13.931,1108 18.249,1109 1.062,1110 28.303,1111 13.187,1112 1.829,1113 6.051,1114 24.813,1115 3.321,1116 15.02,1117 19.711,1119 30.63,1120 14.208,1121 1.493,1122 5.386,1123 26.657,1124 2.82,1125 16.151,1126 21.226,1127 1.01,1128 32.983,1129 15.285,1130 1,1131 3.632,1132 28.508,1133 2.557,1134 17.263,1135 22.713,1137 35.324,1138 16.332,1139 3650,1140 7291,1141 14.622,1142 22.966,1143 33.515,1144 34.341,1145 34.169,1146 33.259,1147 33.144,1148 46.298,1149 3.68,1150 95.358,1151 30.401,1152 5.346,1153 5.522,1154 6.112,1155 5.209,1156 5.137,1157 7.534,1158 1.96,1159 17.43,1160 4.95,1161 9.617,1162 1.523,1163 1.561,1164 1.553,1165 1.512,1166 1.507,1167 2.104,1168 0.167,1169 4.334,1170 1.382,1171 4.077,1172 4.081,1173 6.88,1174 4.081,1175 7.437,1176 4.033,1177 3.868,1178 3.885,1179 4.334,1180 3.84,1181 5.031,1182 3.816,1183 3.488,1184 3.524,1185 3.748,1186 3.31,1187 4.879,1188 3.32,1189 3.076,1190 3.133,1191 3.488,1192 2.941,1193 4.764,1194 2.914,1195 3,1196 3.019,1197 3.174,1198 2.8,1199 4.251,1200 2.803,1201 2.854,1202 2.925,1203 2.886,1204 2.735,1205 4.249,1206 2.715,1207 2.742,1208 2.773,1209 2.687,1210 2.723,1211 3.674,1212 2.681,1213 2.35,1214 2.44,1215 2.564,1216 2.074,1217 3.575,1218 2.038,1219 0.208,1220 0.16,1221 0.299,1222 0.185,1223 0.143,1224 4.586,1225 0.206,1226 3.522,1227 0.045,1228 6.585,1229 0.478,1230 4.08,1231 0.134,1232 3.137,1233 4.534,1234 0.98,1235 10.525,1236 2.95,1237 1.899,1238 1.886,1239 1.961,1240 1.999,1241 1.075,1242 1.993,1243 1.809,1244 1.79,1245 1.869,1246 1.88,1247 1.014,1248 1.892,1249 1.535,1250 1.539,1251 1.538,1252 1.696,1253 0.685,1254 1.68,1255 0.963,1256 0.942,1257 1.189,1258 1.232,1259 0.218,1260 1.244,1261 0.898,1262 0.839,1263 1.181,1264 1.069,1265 0.165,1266 1.107,1267 0.886,1268 0.821,1269 1.047,1270 1.062,1271 0.057,1272 1.076,1273 0.781,1274 0.755,1275 0.889,1276 0.901,1278 0.941,1279 0.496,1280 0.433,1281 0.648,1282 0.723,1284 0.745,1285 3.807,1287 5.13,1288 2.398,1289 6.64,1290 4.727,1291 8.235,1292 6.862,1293 9.874,1294 3.372,1299 5.302,1304 5.811,1312 21.792,1313 55.049,1314 103.62,1315 121.272,1316 130.881,1317 130.881,1318 130.881,1319 27.937,1320 6.739,1321 65.21,1322 93.45,1323 17,1324 12.216,1325 4.17,1326 3.322,1327 29.947,1328 59,1329 64,1330 0.252,1331 144.09,1332 237.23,1333 343.339,1334 6717,1335 3.4,1336 14.113,1337 0.706,1338 0.629,1339 15.466,1340 12.571,1341 9.631,1342 0.438,1343 0.334,1344 5.792,1345 8.307,1346 5.557,1347 4.574,1348 10.617,1349 7.35,1350 8.952,1351 0.289,1352 0.196,1353 10.411,1354 6.08,1355 7.256,1356 0.181,1357 0.108,1358 8.708,1359 4.307,1360 5.797,1361 0.111,1362 0.056,1363 6.968,1364 2.93,1365 4.971,1366 0.074,1367 0.03,1368 6.163,1369 2.012,1370 0.386,1371 72.423,1372 0.262,1373 19.768,1374 0.715,1375 106,1376 347.943,1377 206.33,1378 394.136,1379 524.24,1380 366,1381 124,1382 342.343,1383 185.292,1384 374.158,1385 546.41,1386 352,1387 5.9} {0 CHEMBL1164180,1 1.692,2 13.486,3 5.225,4 27.296,5 136.031,6 8.246,7 0.462,8 4.229,9 4.355,10 3.879,11 3.745,12 5.313,13 3.742,14 4.822,15 5.012,16 4.329,17 4.163,18 6.25,19 4.148,20 5.051,21 5.257,22 4.356,23 4.367,24 6.089,25 4.302,26 5.184,27 5.422,28 4.323,29 4.365,30 6.25,31 4.282,32 5.19,33 5.458,34 4.254,35 4.289,36 6.277,37 4.205,38 4.948,39 5.158,40 4.387,41 4.224,42 6.153,43 4.167,44 4.973,45 5.187,46 4.284,47 4.197,48 6.17,49 4.15,50 4.976,51 5.205,52 4.217,53 4.116,54 6.288,55 4.048,56 0.116,57 1.156,58 10.781,59 5.34,60 19.505,61 6.68,62 0.995,63 2.178,64 25.314,65 8.756,66 139.955,67 11.276,68 0.543,69 2.171,70 33.543,71 12.499,72 42.256,73 16.519,74 0.675,75 2.404,76 40.987,77 14.524,78 80.266,79 19.219,80 1.27,81 2.296,82 47.846,83 13.912,84 127.823,85 18.194,86 0.709,87 1.882,88 34.719,89 12.145,90 83.126,91 15.44,92 0.69,93 2.118,94 34.235,95 11.707,96 79.7,97 14.082,98 1.142,99 2.046,100 38.216,101 11.371,102 125.319,103 14.195,104 27,105 57,106 0.272,107 0.582,108 0.731,109 0.836,110 0.856,111 0.861,112 3.589,113 0.915,114 -5.64,115 -5.51,116 -5.14,119 41,124 1,125 7,132 1,142 6,143 4,144 2,145 2,147 2,172 8,174 1,175 6,178 1,183 9,187 2,188 8,191 1,193 1,196 6,200 5,205 1,208 3,212 2,213 7,218 2,221 3,224 1,225 5,230 3,233 4,238 1,239 2,242 1,244 2,247 6,252 1,253 4,258 2,261 6,266 3,269 1,274 5,278 2332,279 23.297,280 23.297,281 23.297,282 23.297,283 23.297,284 21.224,285 32.22,286 13.403,287 24.188,288 19.262,289 19.262,290 19.262,291 19.262,292 19.262,293 16.042,294 48.743,295 6.384,296 20.826,297 4.239,298 2.316,299 1.39,300 0.738,301 0.615,302 0.582,303 4.294,304 1,309 1030,310 3.536,314 520.502,318 156.833,321 2.243,322 46.809,325 0.5,326 0.83,327 0.83,328 0.7,329 0.5,330 0.83,331 1,332 0.74,333 77.833,334 472,335 4.557,336 4.471,337 7.25,338 4.271,339 3.385,340 4.085,341 3.825,342 12.257,343 3.056,344 4.41,345 3.314,346 6.554,347 4.05,348 3.098,349 4.036,350 0.916,351 10.402,352 2.956,353 4.159,354 3.14,355 6.18,356 3.833,357 2.897,358 3.685,359 0.8,360 9.169,361 2.716,362 3.893,363 3.009,364 6.051,365 3.642,366 2.686,367 3.193,368 0.8,369 8.751,370 2.547,371 3.825,372 2.784,373 5.691,374 3.432,375 2.534,376 3.122,377 0.4,378 7.735,379 2.197,380 3.404,381 2.619,382 5.171,383 3.221,384 2.3,385 2.556,386 0.172,387 6.197,388 2.115,389 3.352,390 2.554,391 5.047,392 3.03,393 2.126,394 2.449,396 6.101,397 1.892,398 3.106,399 2.203,400 4.855,401 2.725,402 1.828,403 2.254,405 5.36,406 1.627,407 3.008,408 1.856,409 4.54,410 2.657,411 1.707,412 2.148,414 4.681,415 1.581,416 2.714,417 1.62,418 4.253,419 2.388,420 1.438,421 1.795,423 3.792,424 1.362,425 2.597,426 1.505,427 4.164,428 2.249,429 1.291,430 1.611,432 3.502,433 1.201,434 2.522,435 1.286,436 4.014,437 2.169,438 1.208,439 1.526,441 3.246,442 1.157,443 2.5,444 1.146,445 3.417,446 1.967,447 1,448 1.5,450 2.275,451 0.965,452 2.175,453 1.005,454 3.414,455 1.958,456 1,457 1.121,459 2.275,460 0.955,461 2,462 1,463 3.414,464 1.846,465 0.907,466 1,468 2.213,469 0.85,470 16.471,471 0.471,472 1.069,473 0.031,474 43.75,475 1.25,476 19.5,477 0.557,478 24.25,479 0.693,480 32.874,481 0.939,482 38.729,483 0.635,484 37.159,485 1.062,486 8.714,487 0.249,488 8.061,489 0.23,490 0.126,491 0.03,492 0.316,494 3,497 0.61,498 1.218,499 0.607,500 1.088,501 0.551,502 0.964,503 0.609,504 0.758,505 0.702,506 0.75,507 0.334,508 0.796,509 0.629,510 0.905,511 0.898,512 1.054,513 0.457,514 1.064,515 0.801,516 1.08,517 0.848,518 1.102,519 0.739,520 1.089,521 1.073,522 0.779,523 0.956,524 0.76,525 1.157,526 0.84,527 0.545,528 1.042,529 0.712,530 1.125,531 0.552,532 1.009,533 1.176,534 1.178,535 1.051,536 1.057,537 1.174,538 1.021,539 1.137,540 0.979,541 1.178,542 1.066,543 1.315,544 1.08,545 8.5,546 0.219,547 4.889,548 2.313,549 1.844,550 1.653,551 0.954,552 0.568,553 0.496,554 0.395,555 18895,556 56534,557 2.099,558 42.6,560 23,562 2,563 1,568 1.767,569 1.953,570 3.656,571 -0.316,578 103.202,579 1.692,580 3.615,581 4.541,582 5.193,583 5.316,584 5.349,585 3.122,586 4.708,587 5.099,588 3.887,589 2312.94,590 8.952,591 36128.7,596 361.775,597 1.566,598 5.051,599 0.218,600 0.006,601 0.086,602 0.039,603 0.034,604 0.033,605 0.018,606 0.011,607 0.011,608 0.011,609 0.468,610 0.33,611 0.63,612 0.694,613 189.699,614 -0.037,615 -0.212,616 0.034,617 -0.095,618 -0.064,619 -0.023,620 0.257,621 0.276,622 0.076,623 0.177,624 0.439,625 0.111,626 -0.026,627 -0.06,628 -0.067,629 -0.088,630 0.03,631 -0.084,632 -0.042,633 -0.198,634 -0.004,635 -0.135,636 -0.003,637 -0.088,638 -0.045,639 0.188,640 0.006,641 0.192,642 -0.119,643 0.141,644 0.205,645 -0.144,646 0.237,647 -0.108,648 0.162,649 0.007,650 -0.13,651 -0.118,652 -0.067,653 -0.059,654 -0.107,655 -0.056,656 0.079,657 0.131,658 -0.093,659 -0.064,660 -0.039,661 -0.116,662 5.7,663 5.603,664 0.8,665 40.661,666 1.018,667 1.146,668 4.408,669 19.431,670 0.67,671 3.689,672 4.06,673 4.317,674 4.585,675 4.86,676 4.99,677 5.106,678 5.236,679 5.425,680 5.58,681 7.902,682 0.646,683 503.02,684 3.689,685 5.263,686 6.12,687 7.017,688 7.89,689 8.789,690 9.668,691 10.568,692 11.45,693 12.351,694 9.8,697 1,699 1,700 2,704 2,709 8,710 2,714 8,716 18,728 1,730 2,734 1,735 61,737 18,738 1,739 39,741 65,742 25,743 16,744 3,745 3,748 5,749 6,750 1,754 1,759 1,762 16,763 9,781 3,783 26,784 9,785 1,786 10,787 1,792 6,796 0.8,808 2,815 5,819 1,838 1,842 4,846 1,847 1,848 3,850 35,856 7,858 1,862 3,863 1,871 4,879 17.917,880 11.238,881 7.389,882 3.644,884 3.459,885 1.4,886 1.015,887 6.801,888 12.101,889 3.892,890 4.483,891 5.029,892 5.575,893 6.13,894 6.404,895 6.771,896 7.121,897 7.547,898 7.937,899 0.889,900 59,901 13.452,903 6.254,904 7.948,905 24.633,907 20.71,909 2.448,910 85.694,914 294.278,915 129.504,916 60.955,917 39.149,919 44.88,921 129.504,922 333.426,923 105.835,924 8.396,925 14.74,926 56.857,927 75.124,928 91.348,929 4.656,930 270.735,931 46.908,932 294.278,933 190.458,934 44.88,935 39.149,937 294.278,938 44.88,941 43.719,942 95.158,943 90.73,945 339.158,946 60.955,947 168.652,950 302.037,951 38.395,952 92.722,953 18.011,954 117.6,955 294.278,956 105.835,957 168.652,959 0.597,960 0.338,961 0.177,962 0.101,963 29,964 13,965 0.062,966 4,967 1,968 1.071,969 4.503,970 342.522,971 0.071,972 28,973 170.77,979 24.175,980 9.846,981 5.35,983 105.835,984 13.296,985 9.214,989 3.858,991 18.011,992 568.765,993 48,1005 62.076,1006 69.935,1007 0.285,1008 0.61,1009 0.766,1010 0.876,1011 0.896,1012 0.902,1013 5.173,1014 1.828,1015 6.146,1016 6.101,1017 4.745,1018 5.17,1019 3.202,1020 6.999,1021 4.599,1022 6.385,1023 1.707,1024 7.738,1025 5.36,1026 4.511,1027 5.017,1028 3.926,1029 8.116,1030 4.198,1031 7.704,1032 1.438,1033 9.435,1034 4.681,1035 6.422,1036 7.316,1037 5.429,1038 11.153,1039 6.133,1040 9.055,1041 1.291,1042 11.198,1043 3.792,1044 6.967,1045 7.926,1046 6.691,1047 13.082,1048 6.522,1049 10.437,1050 1.208,1051 13.003,1052 3.502,1053 8.404,1054 9.755,1055 8.058,1056 15.707,1057 7.957,1058 11.841,1059 1,1060 14.838,1061 3.246,1062 9.295,1063 10.726,1064 9.389,1065 17.958,1066 8.715,1067 13.263,1068 1,1069 16.696,1070 2.275,1071 10.557,1072 12.345,1073 10.734,1074 20.466,1075 9.943,1076 3.385,1077 0.907,1078 18.572,1079 2.275,1080 11.606,1081 13.503,1082 12.074,1083 22.85,1084 10.876,1085 3.098,1086 12.257,1087 20.463,1088 2.213,1089 12.808,1090 15.016,1091 13.416,1092 25.331,1093 12.018,1094 2.897,1095 10.402,1096 22.366,1097 4.085,1098 13.929,1099 16.278,1100 14.758,1101 27.773,1102 13.034,1103 2.686,1104 9.169,1105 24.279,1106 4.036,1107 15.114,1108 17.735,1109 16.1,1110 30.253,1111 14.142,1112 2.534,1113 8.751,1114 26.201,1115 3.685,1116 16.271,1117 19.054,1118 17.441,1119 32.722,1120 15.198,1121 2.3,1122 7.735,1123 28.13,1124 3.193,1125 17.455,1126 20.482,1127 18.783,1128 35.207,1129 16.295,1130 2.126,1131 6.197,1132 30.065,1133 3.122,1134 18.631,1135 21.833,1136 20.124,1137 37.69,1138 17.371,1139 17712,1140 31017,1141 25.948,1142 40.841,1143 59.82,1144 59.26,1145 60.6,1146 59.576,1147 59.155,1148 72.563,1149 13.828,1150 176.825,1151 54.681,1152 5.557,1153 6.471,1154 6.786,1155 5.342,1156 5.385,1157 7.085,1158 5.335,1159 19.809,1160 5.056,1161 18.223,1162 1.534,1163 1.519,1164 1.554,1165 1.528,1166 1.517,1167 1.861,1168 0.355,1169 4.534,1170 1.402,1171 4.053,1172 4.095,1173 4.054,1174 3.95,1175 8.513,1176 3.958,1177 3.938,1178 3.971,1179 3.96,1180 3.864,1181 7.999,1182 3.865,1183 3.857,1184 3.914,1185 3.795,1186 3.686,1187 7.999,1188 3.703,1189 3.709,1190 3.772,1191 3.613,1192 3.541,1193 4.97,1194 3.548,1195 3.442,1196 3.51,1197 3.555,1198 3.282,1199 4.909,1200 3.282,1201 3.326,1202 3.362,1203 3.334,1204 3.072,1205 4.786,1206 3.101,1207 3.187,1208 3.281,1209 3.123,1210 2.973,1211 4.355,1212 2.984,1213 3.169,1214 3.262,1215 2.997,1216 2.941,1217 4.281,1218 2.933,1219 0.117,1220 0.115,1221 0.186,1222 0.11,1223 0.087,1224 4.557,1225 0.105,1226 4.471,1227 0.098,1228 7.25,1229 0.314,1230 4.271,1231 0.078,1232 3.385,1233 4.085,1234 3.825,1235 12.257,1236 3.056,1237 1.975,1238 1.943,1239 2.061,1240 2.108,1241 1.294,1242 2.097,1243 1.911,1244 1.888,1245 2.007,1246 2.039,1247 1.266,1248 2.034,1249 1.799,1250 1.741,1251 1.952,1252 1.97,1253 1.121,1254 1.969,1255 1.672,1256 1.609,1257 1.843,1258 1.857,1259 1.022,1260 1.858,1261 1.422,1262 1.358,1263 1.628,1264 1.611,1265 0.825,1266 1.621,1267 1.166,1268 1.104,1269 1.526,1270 1.439,1271 0.756,1272 1.471,1273 1.161,1274 1.064,1275 1.513,1276 1.424,1277 0.642,1278 1.429,1279 1.153,1280 1.058,1281 1.429,1282 1.388,1283 0.616,1284 1.409,1285 4.369,1287 5.727,1289 7.277,1291 8.912,1293 10.589,1295 2.116,1296 6.043,1297 40.808,1301 5.092,1303 3.242,1307 6.476,1308 -4.45,1312 39.427,1313 103.202,1314 220.514,1315 276.981,1316 316.755,1317 324.265,1318 326.265,1319 70.026,1320 8.642,1321 47.53,1322 47.53,1323 30,1324 12.876,1325 4.248,1326 3.322,1327 52.274,1328 164,1329 195,1330 0.152,1331 239.959,1332 422.22,1333 577.259,1334 80708,1335 6.6,1336 24.579,1337 0.702,1338 0.573,1339 22.579,1340 20.072,1341 16.775,1342 0.43,1343 0.305,1344 11.33,1345 15.663,1346 11.088,1347 9.068,1348 15.852,1349 11.9,1350 16.269,1351 0.285,1352 0.164,1353 14.682,1354 9.371,1355 13.017,1356 0.176,1357 0.091,1358 12.547,1359 6.76,1360 10.948,1361 0.113,1362 0.049,1363 10.262,1364 4.732,1365 9.12,1366 0.071,1367 0.027,1368 9.104,1369 3.422,1370 0.242,1371 109.285,1372 0.196,1373 32.26,1374 0.412,1375 192,1376 695.095,1377 236.387,1378 624.848,1379 824.22,1380 582,1381 227,1382 567.877,1383 261.362,1384 568.512,1385 854.39,1386 533,1387 5.4} {0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,119 40.7,121 1,124 2,125 3,127 1,135 2,142 5,143 1,144 5,146 1,147 1,148 1,158 1,172 3,174 1,175 8,178 2,180 5,183 3,187 1,188 5,191 1,193 5,196 3,199 1,200 5,203 1,205 2,208 5,212 2,213 5,216 3,217 1,218 1,221 7,224 1,225 6,228 2,233 7,238 3,239 6,242 1,244 3,247 3,252 2,253 9,258 3,261 2,265 1,266 4,269 1,271 1,274 2,278 2346,279 22.739,280 22.739,281 22.739,282 22.739,283 22.739,284 20.314,285 32.664,286 13.563,287 23.485,288 18.303,289 18.303,290 18.303,291 18.303,292 18.303,293 14.602,294 46.591,295 6.532,296 19.582,297 4.11,298 1.8,299 0.731,300 0.432,301 0.432,302 0.432,303 4.254,304 1,308 1,309 888,310 4.062,313 86.25,314 299.294,318 161.313,321 1.841,322 42.381,325 1,326 0.83,327 1,328 0.8,329 0.5,330 1,331 1,332 0.88,333 75.333,334 418,335 4.58,336 3.499,337 6.591,338 4.113,339 3.146,340 4.514,341 1.058,342 10.562,343 3.041,344 4.22,345 3.312,346 6.107,347 3.774,348 2.846,349 3.872,350 0.916,351 8.973,352 2.637,353 4.044,354 3.241,355 5.948,356 3.655,357 2.723,358 3.528,359 0.86,360 8.314,361 2.529,362 3.721,363 3.017,364 5.369,365 3.436,366 2.483,367 3.007,368 0.86,369 6.999,370 2.357,371 3.566,372 2.691,373 5.354,374 3.272,375 2.314,376 2.875,377 0.4,378 6.816,379 2.203,380 3.455,381 2.643,382 5.056,383 3.144,384 2.218,385 2.66,386 0.172,387 6.034,388 2.034,389 3.322,390 2.437,391 4.945,392 3.061,393 2.109,394 2.502,396 5.602,397 1.976,398 3.215,399 2.125,400 4.644,401 2.828,402 1.869,403 2.235,405 5.126,406 1.78,407 2.978,408 2.037,409 4.415,410 2.476,411 1.549,412 2.187,414 4.261,415 1.431,416 2.82,417 1.932,418 4.041,419 2.319,420 1.414,421 1.948,423 3.523,424 1.217,425 2.665,426 1.549,427 3.871,428 2.222,429 1.315,430 1.687,432 3.096,433 1.19,434 2.517,435 1.509,436 3.425,437 2.005,438 1.094,439 1.342,441 2.489,442 0.991,443 2.185,444 1.358,445 3.265,446 1.956,447 0.989,448 1.17,450 2.115,451 0.944,452 1.679,453 0.938,454 3.09,455 1.543,456 0.618,457 0.618,459 1.372,460 0.566,461 1.618,462 0.832,463 3,464 1.344,465 0.424,466 0.505,468 1.106,469 0.383,470 16,471 0.471,472 0.873,473 0.026,474 43.5,475 1.279,476 20.5,477 0.603,478 23,479 0.676,480 29.588,481 0.87,482 37.4,483 0.634,484 37.102,485 1.091,486 8.869,487 0.261,488 7.516,489 0.221,490 0.146,492 0.338,495 1,497 0.748,498 1.32,499 0.63,500 1.102,501 0.58,502 0.954,503 1.004,504 0.987,505 0.748,506 0.861,507 0.63,508 0.834,509 1.08,510 1.167,511 0.98,512 1.089,513 0.907,514 1.076,515 0.83,516 0.859,517 0.735,518 0.796,519 0.79,520 0.778,521 0.691,522 0.804,523 0.854,524 0.971,525 0.81,526 0.962,527 0.848,528 1.007,529 0.755,530 0.974,531 0.832,532 0.955,533 1.043,534 0.894,535 0.894,536 0.891,537 1.191,538 0.957,539 1.042,540 1.083,541 1.002,542 1.06,543 1.132,544 1.018,545 7.5,546 0.289,547 3.333,548 1.972,549 1.986,550 1.007,551 0.945,552 0.657,553 0.501,554 0.294,555 16064,556 50340,557 2.059,558 42.4,560 20,562 1,563 2,566 2,568 1.767,569 1.925,570 3.565,571 0.235,578 104.576,579 1.772,580 4.082,581 5.152,582 5.45,583 5.45,584 5.45,585 3.067,586 4.735,587 5.051,588 3.759,589 2108.56,590 8.902,591 32537.3,596 347.076,597 1.419,598 5.016,599 0.203,600 0.008,601 0.065,602 0.039,603 0.041,604 0.019,605 0.017,606 0.012,607 0.01,608 0.007,609 0.423,610 0.33,611 0.88,612 1.454,613 181.75,614 -0.062,615 -0.212,616 0.03,617 -0.1,618 -0.048,619 -0.021,620 -0.086,621 0.035,622 0.041,623 0.09,624 0.033,625 0.088,626 -0.033,627 -0.158,628 -0.064,629 -0.109,630 0.01,631 -0.128,632 0.006,633 0.044,634 0.172,635 0.164,636 -0.004,637 0.224,638 0.108,639 0.127,640 -0.015,641 -0.008,642 0.02,643 -0.006,645 -0.049,646 0.031,647 -0.028,648 -0.021,649 -0.007,650 -0.05,651 0.032,652 -0.035,653 0.042,654 -0.056,655 -0.026,656 -0.036,657 -0.148,658 -0.019,659 -0.086,660 -0.033,661 -0.056,662 2.176,663 5.571,664 0.618,665 41.059,666 1.018,667 1.135,668 2.83,669 8.01,670 0.671,671 3.638,672 3.951,673 4.174,674 4.431,675 4.673,676 4.812,677 4.99,678 5.182,679 5.318,680 5.384,681 7.427,682 0.648,683 485.99,684 3.638,685 5.176,686 6.009,687 6.878,688 7.734,689 8.612,690 9.48,691 10.363,692 11.24,693 12.128,694 8.5,697 1,701 1,702 1,704 2,708 2,709 6,710 2,714 6,716 17,728 1,733 1,734 2,735 59,737 19,738 2,739 37,741 62,742 24,743 14,744 7,745 5,746 3,748 4,749 5,750 1,757 2,760 2,762 17,763 7,767 2,772 1,774 2,776 1,781 1,783 25,784 9,785 2,786 10,787 1,792 5,796 0.75,797 3,802 1,809 1,814 1,815 3,819 1,828 1,833 2,838 1,841 1,842 3,846 2,847 1,848 1,850 34,856 4,858 2,859 2,861 1,862 1,871 2,872 5.1,875 1,876 1,877 1,879 17.667,880 11.136,881 7.444,882 3.333,884 3.558,885 1.446,886 0.976,887 7.958,888 11.54,889 3.882,890 4.466,891 5.012,892 5.596,893 6.197,894 6.549,895 6.987,896 7.471,897 7.901,898 8.14,899 1,900 50,901 12.591,903 5.352,904 7.895,905 23.595,907 18.934,909 2.395,910 81.444,914 270.735,915 140.698,916 72.717,917 39.149,918 47.145,919 14.96,921 140.698,922 357.029,923 87.677,924 16.793,925 31.836,926 66.334,927 86.192,928 68.849,929 17.288,930 258.964,931 39.149,932 270.735,933 213.415,934 62.105,935 39.149,937 262.153,938 59.687,939 11,941 63.734,942 97.158,943 91.672,945 285.695,946 119.862,947 179.847,950 270.735,951 48.953,952 94.869,953 36.022,954 134.825,955 270.735,956 134.822,957 179.847,959 0.579,960 0.319,961 0.166,962 0.091,963 23,964 11,965 0.129,966 8,967 1,968 1.095,969 4.437,970 315.404,971 0.095,972 21,973 170.974,979 24.361,980 11.106,981 6.435,982 1.256,983 134.822,984 9.24,985 8.683,989 1.495,991 36.022,992 585.404,993 47.5,998 12.571,1000 3.254,1002 -0.287,1005 60.047,1006 66.971,1007 0.301,1008 0.694,1009 0.876,1010 0.927,1011 0.927,1012 0.927,1013 5.119,1014 1.869,1015 5.989,1016 5.602,1017 4.635,1018 5.153,1019 2.082,1020 6.765,1021 4.508,1022 6.318,1023 1.549,1024 7.526,1025 5.126,1026 4.205,1027 4.987,1028 0.325,1029 7.573,1030 4.009,1031 7.616,1032 1.414,1033 9.158,1034 4.261,1035 6.196,1036 7.342,1037 1.903,1038 10.659,1039 5.967,1040 8.949,1041 1.315,1042 10.847,1043 3.523,1044 6.553,1045 7.999,1046 0.393,1047 12.29,1048 6.257,1049 10.312,1050 1.094,1051 12.572,1052 3.096,1053 8.019,1054 9.858,1055 1.815,1056 14.895,1057 7.696,1058 11.697,1059 0.989,1060 14.323,1061 2.489,1062 8.751,1063 10.923,1064 0.384,1065 16.899,1066 8.37,1067 13.102,1068 0.618,1069 16.093,1070 2.115,1071 10.001,1072 12.572,1073 1.774,1074 19.33,1075 9.594,1076 3.146,1077 0.424,1078 17.879,1079 1.372,1080 10.924,1081 13.85,1082 0.351,1083 21.511,1084 10.468,1085 2.846,1086 10.562,1087 19.677,1088 1.106,1089 12.085,1090 15.407,1091 1.767,1092 23.878,1093 11.602,1094 2.723,1095 8.973,1096 21.485,1097 4.514,1098 13.104,1099 16.792,1100 0.312,1101 26.144,1102 12.582,1103 2.483,1104 8.314,1105 23.302,1106 3.872,1107 14.232,1108 18.31,1109 1.786,1110 28.49,1111 13.682,1112 2.314,1113 6.999,1114 25.127,1115 3.528,1116 15.3,1117 19.751,1118 0.273,1119 30.797,1120 14.717,1121 2.218,1122 6.816,1123 26.958,1124 3.007,1125 16.419,1126 21.254,1127 1.825,1128 33.139,1129 15.809,1130 2.109,1131 6.034,1132 28.794,1133 2.875,1134 17.514,1135 22.723,1136 0.236,1137 35.467,1138 16.874,1139 15557,1140 27786,1141 24.561,1142 39.563,1143 54.995,1144 56.97,1145 55.654,1146 54.671,1147 54.582,1148 69.734,1149 8.534,1150 153.623,1151 50.851,1152 5.517,1153 5.499,1154 6.204,1155 5.231,1156 5.146,1157 7.514,1158 2.117,1159 17.503,1160 5.041,1161 18.08,1162 1.486,1163 1.54,1164 1.504,1165 1.478,1166 1.475,1167 1.885,1168 0.231,1169 4.152,1170 1.374,1171 4.088,1172 4.118,1173 4.079,1174 3.986,1175 8.201,1176 4,1177 3.891,1178 3.913,1179 3.983,1180 3.82,1181 7.43,1182 3.82,1183 3.784,1184 3.824,1185 3.683,1186 3.6,1187 5.089,1188 3.61,1189 3.745,1190 3.801,1191 3.645,1192 3.577,1193 4.858,1194 3.585,1195 3.525,1196 3.591,1197 3.449,1198 3.288,1199 4.747,1200 3.316,1201 3.362,1202 3.415,1203 3.341,1204 3.168,1205 4.521,1206 3.183,1207 3.121,1208 3.189,1209 3.247,1210 2.928,1211 4.418,1212 2.946,1213 2.999,1214 3.067,1215 3.013,1216 2.804,1217 4.364,1218 2.791,1219 0.124,1220 0.095,1221 0.178,1222 0.111,1223 0.085,1224 4.58,1225 0.122,1226 3.499,1227 0.029,1228 6.591,1229 0.285,1230 4.113,1231 0.082,1232 3.146,1233 4.514,1234 1.058,1235 10.562,1236 3.041,1237 2.013,1238 1.989,1239 2.063,1240 2.132,1241 1.214,1242 2.113,1243 1.856,1244 1.837,1245 1.928,1246 1.952,1247 1.154,1248 1.951,1249 1.699,1250 1.646,1251 1.902,1252 1.902,1253 1.047,1254 1.907,1255 1.565,1256 1.516,1257 1.803,1258 1.761,1259 1.033,1260 1.771,1261 1.435,1262 1.364,1263 1.665,1264 1.694,1265 0.793,1266 1.682,1267 1.319,1268 1.266,1269 1.577,1270 1.609,1271 0.699,1272 1.597,1273 1.263,1274 1.208,1275 1.44,1276 1.487,1277 0.469,1278 1.488,1279 1.044,1280 0.986,1281 1.417,1282 1.289,1283 0.46,1284 1.308,1285 4.317,1287 5.631,1288 2.398,1289 7.122,1290 4.443,1291 8.705,1292 6.26,1293 10.342,1295 3.841,1296 5.912,1297 13.552,1301 2.506,1303 6.034,1304 11.549,1306 -0.113,1307 1.95,1312 38.257,1313 104.576,1314 240.863,1315 303.957,1316 321.566,1317 321.566,1318 321.566,1319 72.926,1320 7.981,1321 88.61,1322 88.61,1323 23,1324 12.661,1325 4.322,1326 3.524,1327 56.504,1328 146,1329 166,1330 0.183,1331 237.63,1332 417.87,1333 571.578,1334 32653,1335 3.4,1336 24.079,1337 0.708,1338 0.577,1339 23.709,1340 19.603,1341 16.385,1342 0.443,1343 0.301,1344 10.578,1345 15.275,1346 10.289,1347 8.518,1348 16.263,1349 11.141,1350 15.028,1351 0.295,1352 0.167,1353 14.94,1354 8.506,1355 11.845,1356 0.185,1357 0.084,1358 11.446,1359 5.388,1360 9.611,1361 0.116,1362 0.043,1363 9.78,1364 3.6,1365 7.652,1366 0.072,1367 0.021,1368 7.561,1369 2.187,1370 0.285,1371 107.252,1372 0.202,1373 31.382,1374 0.507,1375 176,1376 623.122,1377 213.726,1378 596.032,1379 786.68,1380 556,1381 203,1382 538.678,1383 238.133,1384 548.304,1385 799.81,1386 512,1387 5} {0 CHEMBL117697,1 1.517,2 7.895,3 3.461,4 11.979,5 74.095,6 7.853,7 0.81,8 3.584,9 3.694,10 3.21,11 3.156,12 4.756,13 3.15,14 4.04,15 4.191,16 3.51,17 3.488,18 5.171,19 3.467,20 4.194,21 4.373,22 3.534,23 3.565,24 5.255,25 3.523,26 4.203,27 4.414,28 3.391,29 3.478,30 5.244,31 3.406,32 4.16,33 4.401,34 3.227,35 3.403,36 5.119,37 3.316,38 4.002,39 4.223,40 3.13,41 3.317,42 4.998,43 3.222,44 3.936,45 4.172,46 3.023,47 3.191,48 4.894,49 3.096,50 3.749,51 3.969,52 2.745,53 2.936,54 4.764,55 2.837,56 0.013,57 0.468,58 5.75,59 2.649,60 5.278,61 3.276,62 0.143,63 0.724,64 10.483,65 4.246,66 14.667,67 5.231,68 0.101,69 0.837,70 12.713,71 4.905,72 13.556,73 6.356,74 0.183,75 0.84,76 13.635,77 4.968,78 19.084,79 6.722,80 0.171,81 0.777,82 14.098,83 4.869,84 19.334,85 6.636,86 0.14,87 0.658,88 11.36,89 4.395,90 15.556,91 6.017,92 0.076,93 0.587,94 11.151,95 4.387,96 13.445,97 5.997,98 0.153,99 0.472,100 9.272,101 3.397,102 16,103 4.415,104 3,105 28,106 0.28,107 0.582,108 0.731,109 0.869,110 0.897,111 0.897,112 3.011,113 0.854,114 -4.63,115 -4.55,116 -4.28,119 46.9,124 1,142 8,143 1,144 2,146 1,147 1,148 1,172 6,174 1,175 5,178 1,180 3,183 7,188 4,193 2,196 3,200 6,203 2,205 3,208 2,213 2,218 1,221 3,224 1,225 4,233 6,239 2,247 5,252 1,253 3,261 3,266 1,274 1,278 406,279 13.301,280 13.301,281 13.301,282 13.301,283 13.301,284 11.29,285 13.8,286 8.033,287 13.665,288 10.342,289 10.342,290 10.342,291 10.342,292 10.342,293 7.367,294 23.856,295 3.745,296 10.834,297 3.483,298 1.853,299 1.047,300 0.297,301 0.149,302 0.149,303 3.697,306 1,307 1,308 1,309 325,310 2.121,314 139.655,318 72.993,321 1.08,322 10.068,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 40.5,334 150,335 4.501,336 3.116,337 6.515,338 4.015,339 3.047,340 4.433,341 0.86,342 10.242,343 2.952,344 4.064,345 2.886,346 5.619,347 3.635,348 2.672,349 3.671,350 0.4,351 7.769,352 2.572,353 3.542,354 2.447,355 5.226,356 3.127,357 2.191,358 2.926,360 6.431,361 2.046,362 3.257,363 1.983,364 4.857,365 2.814,366 1.863,367 2.528,369 5.404,370 1.766,371 3.118,372 1.618,373 4.139,374 2.573,375 1.618,376 2.427,378 3.764,379 1.544,380 2.769,381 1.328,382 3.594,383 2.246,384 1.274,385 1.902,387 2.834,388 1.235,389 2.681,390 1.264,391 3.499,392 2.197,393 1.218,394 1.763,396 2.642,397 1.189,398 2.343,399 0.941,400 3.329,401 1.851,402 0.888,403 1.273,405 2.08,406 0.853,407 1.584,408 0.924,409 2.858,410 1.295,411 0.43,412 0.482,414 0.627,415 0.368,416 1.377,417 0.164,418 2.67,419 0.981,420 0.043,421 0.056,423 0.113,424 0.041,425 0.9,426 -0.372,427 2.335,428 0.433,429 -0.523,430 -0.719,432 -1.238,433 -0.497,434 0.882,435 -0.492,436 2,437 0.346,438 -0.618,439 -0.927,441 -1.478,442 -0.593,443 0.598,444 -0.618,445 2,446 0.165,447 -0.781,448 -1,450 -1.776,451 -0.723,452 0.529,453 -0.894,454 1.711,455 0.05,456 -0.934,457 -1.337,459 -2.337,460 -0.918,461 0.223,462 -1.157,463 1.599,464 -0.247,465 -1.209,466 -1.737,468 -3.228,469 -1.163,470 9.033,471 0.475,472 0.307,473 0.016,474 29.5,475 1.553,476 17,477 0.895,478 12.5,479 0.658,480 9.966,481 0.525,482 19.167,483 0.599,484 18.202,485 0.958,486 6.058,487 0.319,488 3.307,489 0.174,490 0.055,492 0.277,497 0.912,498 1.241,499 0.729,500 1.011,501 0.864,502 0.87,503 1.222,504 0.967,505 0.889,506 0.884,507 1.028,508 0.858,509 1.135,510 1.25,511 0.977,512 1.054,513 1,514 1.002,515 0.909,516 1.146,517 1.065,518 1.088,519 0.936,520 1.091,521 1.138,522 0.883,523 1.04,524 0.837,525 1.159,526 0.898,527 0.721,528 0.903,529 1.015,530 0.995,531 0.85,532 1.03,533 0.812,534 0.937,535 0.866,536 1.012,537 0.831,538 0.958,539 1.355,540 0.903,541 1.206,542 1.088,543 1.281,544 1.129,545 3,546 0.012,547 1.556,548 1.063,549 0.778,550 0.333,551 0.183,552 0.161,553 0.086,554 0.041,555 3281,556 8765,557 2.145,558 40.6,560 11,562 1,563 1,568 1.604,569 2.073,570 3.009,571 -0.301,573 1,575 1,578 48.536,579 1.517,580 3.147,581 3.953,582 4.703,583 4.851,584 4.851,585 2.394,586 3.932,587 4.224,588 3.087,589 527.8,590 7.195,591 5151.62,592 1,593 1,595 1,596 160,597 1.105,598 4.207,599 0.143,600 0.012,601 0.056,602 0.038,603 0.034,604 0.017,605 0.01,606 0.01,607 0.008,608 0.008,609 0.335,610 0.67,611 1,612 0.671,613 81.803,614 -0.045,615 -0.169,616 0.056,617 -0.07,618 -0.076,619 -0.004,620 -0.045,621 0.081,622 -0.008,623 0.052,624 -0.027,625 0.022,626 -0.132,627 -0.222,628 -0.071,629 -0.119,630 -0.084,631 -0.094,632 0.055,633 -0.12,634 -0.114,635 -0.16,636 0.014,637 -0.164,638 -0.181,639 0.109,640 -0.041,641 0.116,642 -0.156,643 0.073,644 0.063,645 0.071,646 -0.067,647 -0.021,648 0.018,649 -0.05,650 0.039,651 -0.035,652 0.13,653 -0.004,654 0.12,655 0.068,656 -0.011,657 0.014,658 -0.184,659 -0.111,660 -0.072,661 -0.16,662 0.876,663 1.707,664 0.842,665 11.296,666 1.002,667 1.118,668 3.397,669 11.538,670 0.696,671 3.091,672 3.367,673 3.638,674 3.892,675 4.111,676 4.06,677 4.143,678 4.22,679 4.277,680 4.143,681 4.772,682 0.669,683 251.31,684 3.091,685 4.595,686 5.434,687 6.293,688 7.148,689 8.014,690 8.873,691 9.742,692 10.603,693 11.474,694 9.4,702 1,704 2,708 2,709 9,710 2,714 3,716 17,728 1,733 1,735 32,737 17,738 2,739 21,741 34,742 15,743 14,744 4,745 8,748 3,749 4,762 14,763 1,780 1,783 13,784 4,785 1,786 4,792 3,796 0.667,797 1,809 1,815 3,819 1,842 2,846 1,850 19,858 1,859 1,872 3.1,877 1,879 9.167,880 6.067,881 4.306,882 1.747,884 3.416,885 1.516,886 1.01,887 3.192,888 10.037,889 3.418,890 4.043,891 4.67,892 5.282,893 5.857,894 6.04,895 6.426,896 6.838,897 7.244,898 7.281,899 1,900 28,901 6.941,903 2.849,904 7.623,905 13.266,907 10.469,909 2.123,910 40.333,911 0.001,914 141.253,915 110.357,916 51.582,918 11,921 110.357,922 152.253,923 51.582,924 10.883,926 75.81,927 45.342,928 50.347,929 2.328,930 129.482,932 141.253,933 161.939,934 11,937 141.253,938 11,941 28.773,942 99.594,943 33.571,945 141.253,946 62.582,947 110.357,950 141.253,951 15.045,952 95.312,953 18.011,954 44.571,955 141.253,956 62.582,957 110.357,959 0.563,960 0.336,961 0.189,962 0.103,963 14,964 5,965 0.088,966 3,967 1,968 1.125,969 3.209,970 139.202,971 0.125,972 16,973 80.711,979 11.785,980 5.145,981 2.453,982 1.913,983 62.582,984 17.202,985 8.536,989 2.533,991 18.011,992 314.192,993 29.5,1005 32.051,1006 35.78,1007 0.303,1008 0.629,1009 0.791,1010 0.941,1011 0.97,1012 0.97,1013 4.598,1014 0.888,1015 5.38,1016 2.642,1017 4.043,1018 4.727,1019 1.029,1020 6.146,1021 3.959,1022 5.797,1023 0.43,1024 6.901,1025 2.08,1026 3.434,1027 4.407,1029 6.952,1030 3.313,1031 7.091,1032 0.043,1033 8.524,1034 0.627,1035 5.58,1036 6.985,1037 0.763,1038 10.054,1039 5.423,1040 8.426,1041 -0.523,1042 10.21,1043 0.113,1044 5.832,1045 7.545,1047 11.734,1048 5.636,1049 9.794,1050 -0.618,1051 11.939,1052 -1.238,1053 7.396,1054 9.537,1055 0.597,1056 14.329,1057 7.176,1058 11.186,1059 -0.781,1060 13.697,1061 -1.478,1062 8.077,1063 10.549,1065 16.376,1066 7.82,1067 12.599,1068 -0.934,1069 15.477,1070 -1.776,1071 9.379,1072 12.268,1073 0.47,1074 18.796,1075 9.1,1076 3.047,1077 -1.209,1078 17.273,1079 -2.337,1080 10.276,1081 13.516,1083 21.001,1084 9.961,1085 2.672,1086 10.242,1087 19.083,1088 -3.228,1089 11.46,1090 15.105,1091 0.367,1092 23.359,1093 11.121,1094 2.191,1095 7.769,1096 20.904,1097 4.433,1098 12.463,1099 16.472,1101 25.631,1102 12.089,1103 1.863,1104 6.431,1105 22.733,1106 3.671,1107 13.596,1108 18.002,1109 0.283,1110 27.967,1111 13.197,1112 1.618,1113 5.404,1114 24.569,1115 2.926,1116 14.651,1117 19.428,1119 30.269,1120 14.218,1121 1.274,1122 3.764,1123 26.411,1124 2.528,1125 15.764,1126 20.932,1127 0.217,1128 32.598,1129 15.305,1130 1.218,1131 2.834,1132 28.259,1133 2.427,1134 16.844,1135 22.388,1137 34.912,1138 16.352,1139 3185,1140 5300,1141 14.504,1142 22.279,1143 30.429,1144 30.941,1145 31.277,1146 30.42,1147 30.487,1148 42.922,1149 2.52,1150 83.813,1151 29.128,1152 5.264,1153 5.116,1154 6.204,1155 5.09,1156 5.047,1157 7.433,1158 1.72,1159 17.08,1160 4.952,1161 5.45,1162 1.449,1163 1.473,1164 1.489,1165 1.449,1166 1.452,1167 2.044,1168 0.12,1169 3.991,1170 1.387,1171 4.064,1172 4.099,1173 4.029,1174 3.972,1175 5.083,1176 3.981,1177 3.882,1178 3.907,1179 3.825,1180 3.805,1181 4.862,1182 3.806,1183 3.413,1184 3.474,1185 3.334,1186 3.237,1187 4.487,1188 3.255,1189 3.254,1190 3.319,1191 3.098,1192 2.979,1193 4.398,1194 2.995,1195 3.071,1196 3.146,1197 2.958,1198 2.893,1199 4.085,1200 2.898,1201 2.852,1202 2.918,1203 2.719,1204 2.731,1205 3.723,1206 2.72,1207 2.752,1208 2.827,1209 2.551,1210 2.608,1211 3.502,1212 2.584,1213 2.608,1214 2.673,1215 2.495,1216 2.474,1217 3.485,1218 2.471,1219 0.214,1220 0.148,1221 0.31,1222 0.191,1223 0.145,1224 4.501,1225 0.211,1226 3.116,1227 0.041,1228 6.515,1229 0.488,1230 4.015,1231 0.141,1232 3.047,1233 4.433,1234 0.86,1235 10.242,1236 2.952,1237 2.012,1238 1.984,1239 2.086,1240 2.124,1241 1.177,1242 2.113,1243 1.864,1244 1.841,1245 1.974,1246 1.967,1247 1.051,1248 1.97,1249 1.356,1250 1.298,1251 1.574,1252 1.571,1253 0.576,1254 1.566,1255 1.197,1256 1.124,1257 1.496,1258 1.501,1259 0.474,1260 1.516,1261 1.029,1262 0.966,1263 1.235,1264 1.254,1265 0.25,1266 1.252,1267 0.865,1268 0.805,1269 1.131,1270 1.039,1271 0.192,1272 1.074,1273 0.775,1274 0.706,1275 1.051,1276 0.968,1277 0.126,1278 1.003,1279 0.61,1280 0.547,1281 0.884,1282 0.791,1284 0.826,1285 3.761,1287 5.043,1289 6.547,1291 8.149,1293 9.798,1295 1.652,1303 3.291,1304 5.207,1312 21.413,1313 48.536,1314 100.716,1315 126.49,1316 150.49,1317 155.245,1318 155.245,1319 18.03,1320 6.621,1321 47.04,1322 47.04,1323 18,1324 12.019,1325 4.17,1326 3.248,1327 27.765,1328 54,1329 54,1330 0.256,1331 133.435,1332 218.95,1333 317.342,1334 6038,1336 13.079,1337 0.688,1338 0.553,1339 13.079,1340 10.499,1341 9.365,1342 0.446,1343 0.285,1344 5.884,1345 9.011,1346 5.728,1347 4.802,1348 9.365,1349 5.975,1350 7.942,1351 0.284,1352 0.146,1353 7.942,1354 4.096,1355 6.828,1356 0.185,1357 0.078,1358 6.828,1359 2.875,1360 5.78,1361 0.12,1362 0.04,1363 5.78,1364 1.942,1365 4.772,1366 0.08,1367 0.022,1368 4.772,1369 1.295,1370 0.391,1371 58.619,1372 0.263,1373 18.846,1374 0.731,1375 98,1376 285.359,1377 106.485,1378 279.147,1379 390.09,1380 264,1381 114,1382 292.729,1383 122.486,1384 300.034,1385 433.49,1386 281,1387 4.9} {0 CHEMBL1178727,1 1.572,2 5.231,3 2.042,4 4.17,5 55.654,6 8.965,7 0.733,8 3.197,9 3.299,10 3.022,11 2.941,12 4.315,13 2.869,14 3.671,15 3.791,16 3.48,17 3.354,18 4.75,19 3.262,20 3.782,21 3.943,22 3.244,23 3.33,24 4.754,25 3.188,26 3.675,27 3.885,28 2.945,29 3.077,30 4.606,31 2.921,32 3.395,33 3.631,34 2.613,35 2.727,36 4.342,37 2.511,38 2.971,39 3.255,40 1.709,41 2.096,42 3.864,43 1.878,44 2.382,45 2.665,46 1.029,47 1.457,48 3.356,49 1.285,50 2.018,51 2.38,52 0.258,53 0.947,54 2.565,55 0.695,56 0.021,57 0.306,58 3.502,59 1.753,60 4.632,61 2.027,62 0.063,63 0.512,64 7.173,65 3.181,66 6.542,67 3.886,68 0.051,69 0.572,70 11.872,71 4.562,72 6.096,73 4.885,74 0.045,75 0.497,76 7.735,77 3.453,78 7.549,79 4.323,80 0.064,81 0.407,82 9.126,83 3.235,84 9.448,85 3.432,86 0.047,87 0.257,88 7.022,89 2.303,90 7.328,91 2.543,92 0.025,93 0.134,94 2.38,95 0.876,96 5.645,97 1.104,98 0.021,99 0.085,100 2.369,101 0.806,102 3.678,103 1.065,104 2,105 22,106 0.325,107 0.712,108 0.771,109 0.85,110 0.869,111 0.869,112 2.674,113 0.999,114 -3.67,115 -3.64,116 -3.47,119 47.6,121 1,142 4,143 2,146 1,152 1,162 1,163 1,164 1,165 1,172 7,175 2,177 1,178 1,180 1,183 9,185 1,188 3,196 7,200 2,205 2,208 3,210 2,213 1,218 2,221 2,223 2,230 2,235 2,244 1,249 1,278 104,279 8.947,280 8.947,281 8.947,282 8.947,283 8.947,284 7.612,285 10.438,286 5.231,287 9.247,288 7.442,289 7.442,290 7.442,291 7.442,292 7.442,293 5.436,294 14.712,295 2.515,296 7.955,297 2.82,298 0.952,299 0.667,300 0.286,301 0.19,302 0.19,303 3.34,307 1,308 1,309 152,310 1.581,313 32.512,314 22,316 26.62,317 31.036,320 42.538,321 0.899,322 6.719,325 1,326 0.67,327 0.83,328 0.6,330 1,331 1,332 0.73,333 27,334 68,335 4.577,336 3.377,337 6.772,338 4.194,339 3.232,340 4.281,341 0.68,342 11.165,343 3.121,344 3.88,345 2.553,346 5.663,347 3.36,348 2.453,349 3.466,351 7.518,352 2.215,353 3.165,354 2.023,355 4.888,356 2.713,357 1.794,358 2.401,360 5.306,361 1.671,362 3.026,363 1.884,364 4.75,365 2.696,366 1.732,367 2.179,369 5.035,370 1.616,371 2.801,372 1.404,373 3.762,374 2.327,375 1.35,376 1.931,378 3.001,379 1.309,380 2.361,381 0.912,382 3.585,383 1.826,384 0.886,385 1.297,387 2.354,388 0.822,389 1.39,390 0.261,391 2.939,392 0.996,393 0.081,394 0.104,396 0.221,397 0.073,398 0.664,399 -0.411,400 2.279,401 0.281,402 -0.635,403 -0.747,405 -1.535,406 -0.57,407 0.549,408 -0.761,409 2,410 0.116,411 -0.851,412 -1.17,414 -2.098,415 -0.823,416 0.363,417 -0.87,418 2,419 -0.027,420 -1,421 -1.331,423 -2.642,424 -0.974,425 -0.041,426 -1.307,427 1.739,428 -0.509,429 -1.427,430 -1.904,432 -4.275,433 -1.2,434 -0.333,435 -1.602,436 1.192,437 -0.838,438 -1.732,439 -2.227,441 -5.186,442 -1.536,443 -0.5,444 -1.748,445 1.096,446 -0.903,447 -1.882,448 -2.577,450 -5.521,451 -1.834,452 -0.636,453 -1.954,454 1.015,455 -1,456 -2,457 -2.702,459 -6.257,460 -1.892,461 -0.766,462 -2,463 0.319,464 -1.134,465 -2,466 -3,467 -0.68,468 -7.084,469 -2,470 6.633,471 0.51,472 0.329,473 0.025,474 18.75,475 1.442,476 10.5,477 0.808,478 8.25,479 0.635,480 7.64,481 0.588,482 12.567,483 0.598,484 8.788,485 0.676,486 3.471,487 0.267,488 2.873,489 0.221,490 0.06,492 0.377,497 1.057,498 0.787,499 0.691,500 0.627,501 1.228,502 0.65,503 0.39,504 0.937,505 0.702,506 0.885,507 0.494,508 0.804,509 1.002,510 1.148,511 1.367,512 1.296,513 0.788,514 1.128,515 0.992,516 1.063,517 0.812,518 0.93,519 0.871,520 1.143,521 1.448,522 1.082,523 1.385,524 1.207,525 1.332,526 1.15,527 1.273,528 1.073,529 1.335,530 1.22,531 1.227,532 1.098,533 1.642,534 1.055,535 0.8,536 0.854,537 2.346,538 1.222,539 0.926,540 0.447,541 0.496,542 0.463,543 1.394,544 0.712,545 2.5,547 1.333,548 1.361,549 0.342,550 0.268,551 0.061,552 0.028,555 1084,556 2894,557 2.216,558 38.1,560 4,563 2,564 2,568 1.487,569 2.108,570 2.471,571 0.53,575 1,578 33.019,579 1.572,580 3.44,581 3.726,582 4.107,583 4.202,584 4.202,585 1.95,586 3.547,587 3.675,588 2.45,589 191.066,590 6.1,591 1348.09,593 1,596 92.239,597 1.296,598 3.648,599 0.167,601 0.061,602 0.076,603 0.029,604 0.038,605 0.02,606 0.028,609 0.418,610 0.83,611 1,612 0.569,613 45.621,614 -0.182,615 0.185,616 0.042,617 0.167,618 -0.268,619 0.127,620 0.382,621 -0.008,622 0.166,623 0.005,624 0.171,625 0.05,626 -0.151,627 -0.196,628 -0.286,629 -0.262,630 -0.082,631 -0.197,632 -0.101,633 -0.161,634 -0.043,635 -0.095,636 -0.072,637 -0.207,638 -0.253,639 -0.055,640 -0.167,641 -0.088,642 -0.108,643 -0.128,644 -0.113,645 -0.097,646 -0.162,647 -0.115,648 0.103,649 0.015,650 -0.307,651 -0.085,652 -0.105,653 -0.082,654 -0.43,655 -0.23,656 0.098,657 0.422,658 0.417,659 0.519,660 -0.077,661 0.559,662 0.987,663 1.653,664 0.923,665 5.231,666 0.997,667 1.103,668 2.444,669 5.974,670 0.759,671 2.773,672 3.135,673 3.466,674 3.829,675 3.989,676 4.025,677 4.127,678 3.97,679 3.638,680 3.434,681 3.18,682 0.705,683 188.27,684 2.773,685 4.317,686 5.198,687 6.111,688 7.015,689 7.933,690 8.844,691 9.763,692 10.677,693 11.595,694 9.5,698 1,704 1,709 4,710 1,713 1,714 5,716 11,727 1,735 21,737 11,738 1,739 15,741 23,742 10,743 9,744 2,745 4,748 3,749 6,757 1,760 1,762 9,763 1,780 1,783 8,784 2,785 2,786 3,787 1,792 2,796 0.333,814 2,815 1,817 1,818 1,821 1,842 1,844 1,850 13,851 1,856 1,866 1,879 6.167,880 3.783,881 2.75,882 1.204,884 2.21,885 1.363,886 1.096,887 1.398,888 8.294,889 3.068,890 3.732,891 4.365,892 5.023,893 5.467,894 5.747,895 6.176,896 6.403,897 6.477,898 6.577,899 0.75,900 18,901 4.779,902 -0.003,903 2.087,904 7.551,905 9.334,906 -0.001,907 8.086,908 -0.001,909 2.051,910 26.667,911 0.012,914 70.627,915 82.704,916 49.683,920 31.278,921 51.427,922 70.627,923 49.683,925 2.535,926 70.802,927 16.786,928 9.629,929 1.358,930 101.904,932 70.627,933 101.109,935 31.278,937 70.627,941 5.792,942 78.532,943 16.786,944 31.278,945 70.627,946 49.683,947 82.704,950 70.627,951 44.799,952 37.905,954 49.683,955 70.627,956 49.683,957 82.704,959 0.589,960 0.351,961 0.212,962 0.115,963 14,964 5,967 2,968 1.333,969 2.586,970 87.953,971 0.333,972 12,973 48.106,975 1,979 7.361,980 2.469,981 0.977,983 49.683,984 8.377,985 4.329,988 1.6,989 5.706,991 32.897,992 203.014,993 20.5,1005 20.931,1006 23.162,1007 0.358,1008 0.783,1009 0.848,1010 0.935,1011 0.957,1012 0.957,1013 4.301,1014 -0.635,1015 5.198,1016 0.221,1017 3.807,1018 4.413,1019 0.655,1020 6.061,1021 3.692,1022 5.53,1023 -0.851,1024 6.779,1025 -1.535,1026 3.434,1027 4.227,1029 7.018,1030 3.258,1031 6.854,1032 -1,1033 8.461,1034 -2.098,1035 5.434,1036 6.653,1037 0.356,1038 10.181,1039 5.232,1040 8.219,1041 -1.427,1042 10.203,1043 -2.642,1044 5.916,1045 7.321,1047 12.028,1048 5.668,1049 9.618,1050 -1.732,1051 11.986,1052 -4.275,1053 7.399,1054 9.194,1055 0.18,1056 14.69,1057 7.134,1058 11.044,1059 -1.882,1060 13.797,1061 -5.186,1062 8.278,1063 10.268,1065 16.89,1066 7.976,1067 12.49,1068 -2,1069 15.63,1070 -5.521,1071 9.56,1072 11.902,1073 0.087,1074 19.387,1075 9.238,1076 3.232,1077 -2,1078 17.48,1079 -6.257,1080 10.611,1081 13.171,1083 21.72,1084 10.256,1085 2.453,1086 11.165,1087 19.342,1088 -7.084,1089 11.819,1090 14.701,1091 0.041,1092 24.162,1093 11.44,1094 1.794,1095 7.518,1096 21.215,1097 4.281,1098 12.941,1099 16.063,1101 26.545,1102 12.53,1103 1.732,1104 5.306,1105 23.095,1106 3.466,1107 14.123,1108 17.547,1109 0.019,1110 28.968,1111 13.684,1112 1.35,1113 5.035,1114 24.982,1115 2.401,1116 15.274,1117 18.954,1119 31.369,1120 14.802,1121 0.886,1122 3.001,1123 26.874,1124 2.179,1125 16.448,1126 20.418,1127 0.009,1128 33.785,1129 15.946,1130 0.081,1131 2.354,1132 28.769,1133 1.931,1134 17.611,1135 21.848,1137 36.193,1138 17.076,1139 1072,1140 1823,1141 10.345,1142 15.943,1143 23.266,1144 23.183,1145 23.652,1146 23.067,1147 23.055,1148 31.317,1149 1.36,1150 69.197,1151 21.657,1152 5.342,1153 5.377,1154 6.453,1155 5.328,1156 5.232,1157 7.281,1158 1.36,1159 18.249,1160 5.121,1161 3.886,1162 1.551,1163 1.546,1164 1.577,1165 1.538,1166 1.537,1167 2.088,1168 0.091,1169 4.613,1170 1.444,1171 4.065,1172 4.083,1173 4.282,1174 4.047,1175 5.159,1176 4.017,1177 3.626,1178 3.657,1179 3.762,1180 3.604,1181 4.767,1182 3.545,1183 3.128,1184 3.214,1185 3.005,1186 2.972,1187 4.36,1188 2.956,1189 2.885,1190 2.962,1191 2.804,1192 2.77,1193 3.744,1194 2.747,1195 2.545,1196 2.659,1197 2.599,1198 2.361,1199 3.534,1200 2.329,1201 2.449,1202 2.521,1203 2.273,1204 2.193,1205 3.182,1206 2.193,1207 1.794,1208 1.84,1209 2.015,1210 1.787,1211 2.577,1212 1.644,1213 1.634,1214 1.733,1215 1.448,1216 1.374,1217 2.339,1218 1.378,1219 0.305,1220 0.225,1221 0.451,1222 0.28,1223 0.215,1224 4.577,1225 0.285,1226 3.377,1227 0.045,1228 6.772,1229 0.744,1230 4.194,1231 0.208,1232 3.232,1233 4.281,1234 0.68,1235 11.165,1236 3.121,1237 1.89,1238 1.866,1239 1.998,1240 1.958,1241 1.147,1242 1.973,1243 1.481,1244 1.474,1245 1.575,1246 1.569,1247 0.892,1248 1.581,1249 1.285,1250 1.232,1251 1.375,1252 1.517,1253 0.341,1254 1.533,1255 0.974,1256 0.929,1257 1.159,1258 1.131,1259 0.238,1260 1.152,1261 0.774,1262 0.708,1263 1.045,1264 0.948,1265 0.108,1266 0.994,1267 0.299,1268 0.159,1269 0.587,1270 0.617,1272 0.667,1273 0.121,1274 0.014,1275 0.352,1276 0.359,1278 0.462,1281 0.299,1282 0.04,1284 0.142,1285 3.434,1287 4.779,1288 3.045,1289 6.315,1290 5.476,1291 7.946,1292 7.618,1293 9.632,1299 5.653,1301 1,1312 14.81,1313 33.019,1314 72.239,1315 78.239,1316 86.239,1317 88.239,1318 88.239,1319 10.809,1320 6.084,1321 38.91,1322 67.15,1323 16,1324 12.105,1325 3.585,1326 2.7,1327 16.412,1328 26,1329 22,1330 0.363,1331 94.596,1332 149.99,1333 222.575,1334 2669,1336 8.836,1337 0.68,1338 0.597,1339 9.19,1340 7.766,1341 6.343,1342 0.423,1343 0.333,1344 4.226,1345 5.774,1346 4.052,1347 3.331,1348 6.752,1349 4.995,1350 5.945,1351 0.27,1352 0.194,1353 6.673,1354 4.273,1355 5.108,1356 0.165,1357 0.104,1358 5.779,1359 3.222,1360 4.722,1361 0.105,1362 0.059,1363 5.503,1364 2.648,1365 3.723,1366 0.07,1367 0.034,1368 4.431,1369 1.806,1370 0.514,1371 42.839,1372 0.311,1373 12.691,1374 1.168,1375 74,1376 177.818,1377 103.872,1378 201.701,1379 286.89,1380 190,1381 90,1382 205.405,1383 113.319,1384 226.964,1385 336.96,1386 215,1387 4} {0 CHEMBL1190711,1 1.687,2 10.241,3 2.323,4 5.394,5 105.109,6 8.307,7 0.688,8 3.988,9 4.1,10 3.643,11 3.472,12 5.231,13 3.503,14 4.459,15 4.61,16 3.994,17 3.823,18 5.702,19 3.846,20 4.592,21 4.744,22 4.073,23 3.934,24 5.817,25 3.949,26 4.684,27 4.849,28 4.077,29 3.963,30 5.957,31 3.955,32 4.775,33 4.985,34 3.974,35 3.964,36 5.888,37 3.931,38 4.706,39 4.92,40 4.008,41 3.951,42 5.86,43 3.921,44 4.684,45 4.891,46 3.979,47 3.949,48 5.825,49 3.918,50 4.631,51 4.824,52 3.865,53 3.841,54 5.866,55 3.797,56 0.122,57 0.744,58 7.845,59 3.593,60 10.476,61 4.199,62 0.453,63 1.116,64 15.508,65 5.923,66 35.584,67 6.97,68 0.448,69 1.274,70 17.207,71 6.349,72 33.95,73 7.671,74 0.535,75 1.381,76 19.087,77 7.243,78 44.53,79 8.893,80 0.615,81 1.4,82 24.827,83 7.975,84 53.446,85 10.397,86 0.576,87 1.367,88 22.499,89 7.57,90 46.631,91 10.307,92 0.516,93 1.309,94 21.797,95 7.57,96 36.402,97 10.149,98 0.515,99 1.193,100 20.111,101 7.468,102 44.844,103 9.746,104 26,105 45,106 0.283,107 0.65,108 0.779,109 0.849,110 0.863,111 0.87,112 3.409,113 0.814,114 -3.29,115 -3.28,116 -3.14,119 42.6,124 2,142 6,143 2,144 2,145 2,146 1,147 1,151 1,158 1,161 1,162 1,163 1,164 1,165 1,172 5,174 2,175 9,177 1,178 4,180 2,183 4,185 1,187 1,188 8,193 2,196 3,198 1,199 4,200 8,202 1,203 3,204 1,205 4,207 1,208 1,210 1,212 1,213 7,218 2,224 4,225 8,227 2,228 2,230 1,233 2,238 2,239 3,242 1,247 4,252 3,253 4,255 1,256 2,258 2,261 5,263 2,265 1,266 3,271 2,274 3,276 2,278 1326,279 19.894,280 19.894,281 19.894,282 19.894,283 19.894,284 17.208,285 19.544,286 11.582,287 20.561,288 15.674,289 15.674,290 15.674,291 15.674,292 15.674,293 11.487,294 28.736,295 5.284,296 16.592,297 3.867,298 1.682,299 0.915,300 0.5,301 0.415,302 0.373,303 4.105,307 1,308 1,309 637,310 3.24,313 64.597,314 244.753,317 114.293,321 1.577,322 29.436,325 1,326 0.83,327 1,328 0.6,330 1,331 1,332 0.78,333 64,334 297,335 4.586,336 3.539,337 6.596,338 4.095,339 3.157,340 4.52,341 0.98,342 10.565,343 2.979,344 4.32,345 3.232,346 6.393,347 3.937,348 2.959,349 3.963,350 0.86,351 9.731,352 2.899,353 4.278,354 3.136,355 6.24,356 3.833,357 2.884,358 3.924,359 0.86,360 9.36,361 2.714,362 3.854,363 2.692,364 5.942,365 3.461,366 2.512,367 3.302,368 0.4,369 8.327,370 2.37,371 3.517,372 2.583,373 5.275,374 3.091,375 2.148,376 2.867,378 6.464,379 2.017,380 3.303,381 2.181,382 4.822,383 2.805,384 1.845,385 2.559,387 5.02,388 1.759,389 2.991,390 2.098,391 4.513,392 2.525,393 1.615,394 2.22,396 4.455,397 1.465,398 2.919,399 1.568,400 4.328,401 2.477,402 1.511,403 2.057,405 4.029,406 1.453,407 2.876,408 1.477,409 3.796,410 2.398,411 1.427,412 2.036,414 3.177,415 1.383,416 2.549,417 1.309,418 3.626,419 2.014,420 1.063,421 1.573,423 2.469,424 1.008,425 2.532,426 1.121,427 3.466,428 1.985,429 1,430 1.476,432 2.305,433 0.976,434 2.169,435 0.972,436 3.425,437 1.663,438 0.755,439 1.036,441 1.978,442 0.683,443 1.868,444 0.931,445 3.038,446 1.531,447 0.631,448 0.764,450 1.174,451 0.563,452 1.454,453 0.773,454 2.897,455 1.185,456 0.336,457 0.366,459 0.448,460 0.283,461 1.361,462 0.267,463 2.688,464 0.96,465 0.021,466 0.027,468 0.055,469 0.019,470 13.4,471 0.462,472 0.657,473 0.023,474 43.25,475 1.491,476 23,477 0.793,478 20.25,479 0.698,480 19.601,481 0.676,482 30.4,483 0.647,484 34.392,485 1.186,486 8.951,487 0.309,488 5.15,489 0.178,490 0.129,492 0.366,497 0.919,498 1.409,499 0.702,500 1.094,501 0.775,502 0.882,503 1.063,504 0.886,505 0.766,506 0.782,507 0.665,508 0.732,509 1.093,510 1.281,511 0.913,512 1.012,513 0.996,514 0.928,515 0.93,516 1.143,517 1.044,518 1.174,519 0.881,520 1.147,521 1.164,522 1.095,523 1.053,524 0.94,525 1.027,526 0.964,527 0.716,528 0.934,529 0.857,530 0.874,531 0.672,532 0.882,533 0.786,534 0.942,535 0.876,536 0.901,537 0.767,538 0.893,539 0.817,540 1.103,541 1.028,542 1.211,543 1.012,544 1.18,545 5.5,546 0.164,547 3.556,548 1.813,549 1.8,550 1.021,551 0.659,552 0.562,553 0.404,554 0.218,555 9979,556 30958,557 2.09,558 38.3,560 12,561 1,562 2,563 3,568 1.725,569 1.955,570 3.341,571 0.96,572 1,573 1,578 79.304,579 1.687,580 3.872,581 4.639,582 5.054,583 5.139,584 5.182,585 2.76,586 4.444,587 4.83,588 3.496,589 1419.3,590 8.442,591 18817.4,593 1,595 1,596 261.066,597 1.416,598 4.788,599 0.172,600 0.009,601 0.079,602 0.038,603 0.039,604 0.024,605 0.015,606 0.013,607 0.011,608 0.009,609 0.409,610 0.33,611 1,612 0.9,613 145.456,614 -0.121,615 -0.247,616 0.042,617 -0.104,618 -0.141,619 -0.008,620 -0.012,621 0.201,622 0.105,623 0.185,624 0.074,625 0.161,626 -0.114,627 -0.189,628 -0.056,629 -0.053,630 -0.088,631 -0.037,632 0.032,633 -0.054,634 -0.167,635 -0.231,636 0.027,637 -0.254,638 -0.18,639 -0.109,640 -0.069,641 0.023,642 -0.129,643 0.005,644 0.098,645 0.098,646 0.096,647 0.086,648 0.094,649 0.089,650 0.035,651 0.072,652 0.069,653 0.08,654 0.011,655 0.09,656 0.117,657 -0.119,658 -0.077,659 -0.22,660 0.06,661 -0.201,662 2.251,663 4.722,664 0.724,665 25.42,666 1.019,667 1.13,668 2.059,669 4.238,670 0.68,671 3.497,672 3.829,673 4.143,674 4.419,675 4.635,676 4.771,677 4.949,678 5.1,679 5.215,680 5.328,681 6.248,682 0.669,683 390.44,684 3.497,685 5.043,686 5.911,687 6.799,688 7.683,689 8.577,690 9.466,691 10.363,692 11.256,693 12.155,694 12.8,701 1,702 2,704 3,708 1,709 9,710 3,714 7,716 22,722 1,728 1,733 2,735 47,737 23,738 1,739 32,741 50,742 20,743 17,744 3,745 3,746 1,748 4,749 5,762 18,763 2,767 1,772 1,776 1,780 1,783 18,784 8,785 3,786 9,789 1,792 6,796 0.75,797 3,808 1,809 1,814 1,815 3,818 1,842 3,846 2,850 29,851 1,858 1,859 2,872 6.4,875 1,877 2,879 14.833,880 9.133,881 6.5,882 2.444,884 4.256,885 1.547,886 1.004,887 5.229,888 12.03,889 3.807,890 4.457,891 5.11,892 5.732,893 6.281,894 6.668,895 7.165,896 7.64,897 8.028,898 8.468,899 0.857,900 48,901 10.62,903 4.483,904 7.862,905 19.768,907 15.679,909 2.362,910 68.5,913 1,914 176.567,915 136.028,916 102.551,918 47.145,921 136.028,922 223.711,923 102.551,924 21.766,925 32.897,926 65.905,927 105.464,928 80.906,929 14.099,930 141.253,932 176.567,933 238.579,934 47.145,937 176.567,938 47.145,941 76.66,942 111.562,943 50.357,945 176.567,946 149.696,947 136.028,950 176.567,951 30.262,952 107.052,953 18.011,954 130.398,955 176.567,956 149.696,957 136.028,959 0.578,960 0.355,961 0.197,962 0.101,963 22,964 10,965 0.12,966 6,967 1,968 1.095,969 3.941,970 264.231,971 0.095,972 21,973 140.881,979 19.024,980 7.971,981 3.69,982 0.67,983 148.409,984 15.597,985 13.266,989 3.689,991 50.908,992 462.29,993 44,998 11.722,1002 -0.585,1005 47.894,1006 53.109,1007 0.304,1008 0.697,1009 0.835,1010 0.91,1011 0.925,1012 0.933,1013 5.034,1014 1.511,1015 5.9,1016 4.455,1017 4.511,1018 5.145,1019 1.824,1020 6.737,1021 4.406,1022 6.262,1023 1.427,1024 7.476,1025 4.029,1026 4.111,1027 4.997,1029 7.689,1030 3.969,1031 7.585,1032 1.063,1033 9.152,1034 3.177,1035 6.129,1036 7.423,1037 1.626,1038 10.788,1039 5.931,1040 8.948,1041 1,1042 10.886,1043 2.469,1044 6.567,1045 8.121,1047 12.543,1048 6.322,1049 10.342,1050 0.755,1051 12.657,1052 2.305,1053 8.036,1054 9.998,1055 1.481,1056 15.143,1057 7.748,1058 11.758,1059 0.631,1060 14.451,1061 1.978,1062 8.846,1063 11.09,1065 17.216,1066 8.507,1067 13.192,1068 0.336,1069 16.262,1070 1.174,1071 10.1,1072 12.741,1073 1.36,1074 19.639,1075 9.721,1076 3.157,1077 0.021,1078 18.084,1079 0.448,1080 11.078,1081 14.027,1083 21.848,1084 10.647,1085 2.959,1086 10.565,1087 19.914,1088 0.055,1089 12.246,1090 15.578,1091 1.257,1092 24.206,1093 11.773,1094 2.884,1095 9.731,1096 21.751,1097 4.52,1098 13.3,1099 16.962,1101 26.476,1102 12.776,1103 2.512,1104 9.36,1105 23.593,1106 3.963,1107 14.436,1108 18.471,1109 1.169,1110 28.811,1111 13.867,1112 2.148,1113 8.327,1114 25.438,1115 3.924,1116 15.525,1117 19.905,1119 31.11,1120 14.905,1121 1.845,1122 6.464,1123 27.287,1124 3.302,1125 16.649,1126 21.4,1127 1.094,1128 33.439,1129 15.982,1130 1.615,1131 5.02,1132 29.138,1133 2.867,1134 17.756,1135 22.861,1137 35.754,1138 17.038,1139 9636,1140 17110,1141 21.383,1142 31.966,1143 47.932,1144 49.16,1145 49.964,1146 47.608,1147 47.728,1148 65.378,1149 6.2,1150 139.109,1151 45.144,1152 5.378,1153 5.539,1154 6.277,1155 5.175,1156 5.157,1157 7.52,1158 1.96,1159 17.58,1160 4.979,1161 14.32,1162 1.498,1163 1.536,1164 1.561,1165 1.488,1166 1.492,1167 2.043,1168 0.194,1169 4.347,1170 1.411,1171 4.129,1172 4.18,1173 4.105,1174 3.972,1175 7.437,1176 3.997,1177 3.894,1178 3.924,1179 3.854,1180 3.787,1181 5.126,1182 3.8,1183 3.873,1184 3.899,1185 3.831,1186 3.743,1187 4.924,1188 3.761,1189 3.357,1190 3.405,1191 3.286,1192 3.172,1193 4.915,1194 3.191,1195 3.321,1196 3.378,1197 3.244,1198 3.049,1199 4.804,1200 3.085,1201 3.247,1202 3.314,1203 3.07,1204 2.954,1205 4.506,1206 2.963,1207 3.182,1208 3.261,1209 3.051,1210 2.921,1211 4.49,1212 2.945,1213 3.054,1214 3.127,1215 2.901,1216 2.851,1217 4.231,1218 2.861,1219 0.143,1220 0.111,1221 0.206,1222 0.128,1223 0.099,1224 4.586,1225 0.141,1226 3.539,1227 0.031,1228 6.596,1229 0.33,1230 4.095,1231 0.093,1232 3.157,1233 4.52,1234 0.98,1235 10.565,1236 2.979,1237 1.957,1238 1.932,1239 2.021,1240 2.108,1241 1.139,1242 2.079,1243 1.848,1244 1.818,1245 1.936,1246 1.983,1247 0.986,1248 1.97,1249 1.718,1250 1.68,1251 1.796,1252 1.894,1253 0.888,1254 1.87,1255 1.396,1256 1.341,1257 1.576,1258 1.59,1259 0.584,1260 1.585,1261 1.197,1262 1.141,1263 1.574,1264 1.525,1265 0.574,1266 1.539,1267 1.191,1268 1.128,1269 1.531,1270 1.523,1271 0.525,1272 1.504,1273 1.188,1274 1.114,1275 1.386,1276 1.484,1277 0.274,1278 1.487,1279 0.946,1280 0.869,1281 1.158,1282 1.223,1283 0.176,1284 1.214,1285 4.174,1287 5.501,1288 2.398,1289 7.033,1290 4.595,1291 8.658,1292 6.605,1293 10.332,1295 3.157,1299 5.457,1303 3.088,1304 10.685,1312 31.434,1313 79.304,1314 182.007,1315 218.046,1316 237.556,1317 241.556,1318 243.556,1319 43.555,1320 7.774,1321 116.66,1322 116.66,1323 23,1324 12.679,1325 4.585,1326 3.7,1327 44.446,1328 108,1329 113,1330 0.202,1331 193.597,1332 324.85,1333 464.136,1334 25127,1336 20.38,1337 0.703,1338 0.544,1339 20.38,1340 15.787,1341 14.101,1342 0.441,1343 0.271,1344 8.493,1345 13.338,1346 8.285,1347 6.911,1348 14.101,1349 8.688,1350 12.444,1351 0.277,1352 0.135,1353 12.444,1354 6.079,1355 10.86,1356 0.175,1357 0.071,1358 10.86,1359 4.372,1360 9.308,1361 0.114,1362 0.036,1363 9.308,1364 2.965,1365 7.278,1366 0.071,1367 0.019,1368 7.278,1369 1.898,1370 0.311,1371 89.964,1372 0.216,1373 27.084,1374 0.573,1375 154,1376 513.432,1377 173.572,1378 489.9,1379 674.9,1380 460,1381 184,1382 504.446,1383 204.102,1384 509.988,1385 745.97,1386 477,1387 5.9} {0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,119 51.4,135 2,136 1,138 1,142 6,143 1,144 5,158 3,166 1,172 5,174 2,175 6,183 11,187 1,188 7,196 13,199 1,200 4,208 6,212 1,213 18,221 8,225 9,233 8,239 3,247 2,253 2,261 7,266 1,274 3,278 1112,279 18.654,280 18.654,281 18.654,282 18.654,283 18.654,284 16.187,285 19.118,286 10.719,287 19.305,288 15.266,289 15.266,290 15.266,291 15.266,292 15.266,293 11.457,294 21.577,295 5.067,296 16.502,297 3.189,298 1.461,299 0.689,300 0.216,301 0.216,302 0.216,303 4.069,304 2,308 1,309 659,310 2.55,314 301.744,318 114.555,321 1.745,322 45.737,325 0.75,326 0.83,327 0.83,328 0.3,330 0.83,331 1,332 0.65,333 62.167,334 304,335 4.659,336 4.62,337 7.045,338 4.27,339 3.3,340 4.28,341 3.37,342 12.073,343 3.195,344 4.265,345 3.709,346 6.252,347 3.817,348 2.906,349 3.894,350 1.208,351 9.257,352 2.633,353 4.146,354 3.398,355 6.088,356 3.716,357 2.786,358 3.648,359 0.618,360 8.827,361 2.561,362 3.818,363 3.258,364 5.582,365 3.343,366 2.406,367 3.147,369 7.21,370 2.237,371 3.456,372 2.94,373 5.197,374 3.061,375 2.136,376 2.745,378 6.279,379 1.929,380 3.318,381 2.8,382 4.913,383 2.859,384 1.934,385 2.481,387 5.588,388 1.763,389 3.232,390 2.623,391 4.841,392 2.707,393 1.879,394 2.474,396 5.104,397 1.664,398 3.15,399 2.376,400 4.646,401 2.703,402 1.743,403 2.222,405 4.741,406 1.441,407 2.839,408 2.108,409 4.127,410 2.363,411 1.415,412 1.945,414 3.648,415 1.347,416 2.817,417 1.524,418 4.057,419 2.34,420 1.351,421 1.916,423 3.312,424 1.309,425 2.536,426 1.309,427 3.542,428 1.813,429 0.871,430 1.291,432 2.117,433 0.8,434 1.915,435 1.178,436 3.085,437 1.29,438 0.398,439 0.508,441 0.971,442 0.338,443 1.597,444 1.113,445 2.973,446 1.186,447 0.288,448 0.363,450 0.691,451 0.232,452 1.272,453 0.832,454 2.564,455 0.751,456 -0.151,457 -0.204,459 -0.374,460 -0.125,461 1,462 0.445,463 2.407,464 0.473,465 -0.347,466 -0.445,468 -0.757,469 -0.229,470 13.867,471 0.495,472 0.822,473 0.029,474 38,475 1.357,476 20,477 0.714,478 18,479 0.643,480 22.586,481 0.807,482 28.133,483 0.76,484 29.769,485 1.063,486 7.754,487 0.277,488 5.681,489 0.203,490 0.168,492 0.389,495 2,497 0.545,498 0.806,499 0.518,500 0.692,501 0.533,502 0.676,503 0.664,504 0.945,505 0.658,506 0.829,507 0.596,508 0.805,509 1.041,510 1.056,511 1.087,512 1.075,513 0.981,514 0.926,515 0.972,516 0.954,517 1.174,518 1.072,519 0.92,520 1.004,521 0.753,522 0.916,523 1.028,524 1.166,525 0.786,526 1.015,527 0.972,528 0.769,529 1.043,530 0.838,531 0.908,532 1.041,533 0.932,534 0.837,535 1.172,536 1.059,537 0.85,538 1.233,539 0.817,540 0.849,541 0.508,542 0.761,543 0.963,544 0.901,545 6,546 0.182,547 3.556,548 2.563,549 2.524,550 0.826,551 0.764,552 0.443,553 0.222,554 0.269,555 9437,556 40448,557 2.072,558 24.3,560 8,562 1,568 1.711,569 1.909,570 3.35,571 -0.671,578 74.755,579 2.02,580 3.749,581 4.52,582 4.993,583 4.993,584 4.993,585 2.901,586 4.138,587 4.778,588 3.537,589 1337.15,590 8.312,591 17189.3,596 192.75,597 1.497,598 4.723,599 0.194,600 0.008,601 0.079,602 0.052,603 0.055,604 0.018,605 0.021,606 0.017,607 0.01,608 0.013,609 0.468,610 0.33,611 0.88,612 0.616,613 139.301,614 -0.003,615 -0.001,616 0.004,617 0.02,618 -0.043,619 0.007,620 -0.014,621 -0.083,622 0.004,623 -0.022,624 0.011,625 -0.056,626 -0.159,627 -0.085,628 -0.098,629 -0.05,630 -0.119,631 0.012,632 -0.02,633 -0.013,634 -0.099,635 -0.058,636 0.022,637 -0.098,638 0.132,639 -0.1,640 -0.011,641 -0.258,642 0.068,643 -0.157,644 -0.141,645 0.038,646 -0.11,647 0.038,648 -0.133,649 -0.074,650 -0.089,651 0.025,652 -0.137,653 -0.04,654 -0.065,655 -0.072,656 0.13,657 0.191,658 0.483,659 0.398,661 0.336,662 2.353,663 5.899,664 0.786,665 25.98,666 1.049,667 1.115,668 5.495,669 30.19,670 0.798,671 3.466,672 3.829,673 4.127,674 4.431,675 4.7,676 4.727,677 4.844,678 5.037,679 5.17,680 5.215,681 6.335,682 0.784,683 436.28,684 3.466,685 5.03,686 5.9,687 6.801,688 7.689,689 8.594,690 9.489,691 10.395,692 11.295,693 12.202,694 8.1,697 1,703 2,709 6,714 6,716 12,734 4,735 37,737 17,738 2,739 31,741 40,742 19,743 12,744 6,745 6,746 7,748 4,749 5,750 2,762 19,767 5,772 1,774 3,775 2,776 4,781 2,783 9,784 6,786 9,787 3,792 3,793 1,796 0.75,797 1,815 4,819 1,833 3,834 1,842 3,843 1,844 1,847 2,848 2,850 28,860 1,862 1,871 4,872 2.7,875 1,879 14.667,880 7.005,881 6.028,882 2.077,884 3.464,885 1.445,886 1.025,887 5.174,888 11.246,889 3.761,890 4.382,891 4.977,892 5.55,893 6.112,894 6.353,895 6.709,896 7.156,897 7.537,898 7.841,899 1,900 49,901 10.378,903 4.657,904 8.204,905 18.782,907 15.489,909 2.704,910 75.722,914 105.94,915 158.397,916 36.45,917 78.297,918 25.145,919 29.92,920 32.22,921 126.177,922 209.382,923 66.371,926 75.81,927 54.118,928 69.615,929 29.92,930 126.388,931 78.297,932 105.94,933 162.627,934 55.065,935 110.517,937 135.86,938 25.145,941 36.45,942 104.468,943 100.007,944 32.22,945 135.86,946 61.595,947 236.694,950 105.94,951 73.968,952 87.43,954 166.811,955 105.94,956 91.515,957 236.694,959 0.594,960 0.354,961 0.198,962 0.112,963 23,964 11,965 0.075,966 3,967 1,968 1.091,969 3.842,970 253.772,971 0.091,972 22,973 128.606,975 1,979 19.037,980 7.61,981 3.701,983 91.515,984 8.234,989 -0.132,992 434.149,993 42,998 12.431,1000 4.53,1001 8.19,1002 0.593,1005 38.8,1006 41.268,1007 0.388,1008 0.72,1009 0.868,1010 0.958,1011 0.958,1012 0.958,1013 5.024,1014 1.743,1015 5.911,1016 5.104,1017 4.511,1018 5.069,1019 3.31,1020 6.765,1021 4.36,1022 6.262,1023 1.415,1024 7.499,1025 4.741,1026 4.205,1027 4.913,1029 7.756,1030 3.93,1031 7.59,1032 1.351,1033 9.187,1034 3.648,1035 6.146,1036 7.27,1037 5.574,1038 10.894,1039 5.884,1040 8.95,1041 0.871,1042 10.934,1043 3.312,1044 6.621,1045 7.89,1047 12.737,1048 6.261,1049 10.34,1050 0.398,1051 12.719,1052 2.117,1053 8.072,1054 9.739,1055 7.985,1056 15.422,1057 7.719,1058 11.752,1059 0.288,1060 14.532,1061 0.971,1062 8.916,1063 10.745,1065 17.636,1066 8.495,1067 13.182,1068 -0.151,1069 16.367,1070 0.691,1071 10.179,1072 12.37,1073 10.413,1074 20.173,1075 9.752,1076 3.3,1077 -0.347,1078 18.22,1079 -0.374,1080 11.196,1081 13.577,1083 22.546,1084 10.723,1085 2.906,1086 12.073,1087 20.087,1088 -0.757,1089 12.39,1090 15.097,1091 12.843,1092 25.039,1093 11.902,1094 2.786,1095 9.257,1096 21.966,1097 4.28,1098 13.488,1099 16.409,1101 27.478,1102 12.968,1103 2.406,1104 8.827,1105 23.855,1106 3.894,1107 14.659,1108 17.88,1109 15.272,1110 29.962,1111 14.121,1112 2.136,1113 7.21,1114 25.753,1115 3.648,1116 15.797,1117 19.248,1119 32.428,1120 15.232,1121 1.934,1122 6.279,1123 27.659,1124 3.147,1125 16.965,1126 20.697,1127 17.702,1128 34.912,1129 16.38,1130 1.879,1131 5.588,1132 29.57,1133 2.745,1134 18.121,1135 22.096,1137 37.391,1138 17.513,1139 9030,1140 18837,1141 20.403,1142 29.517,1143 48.27,1144 51.825,1145 49.211,1146 47.199,1147 46.83,1148 61.825,1149 10.391,1150 139.634,1151 42.898,1152 5.486,1153 6.62,1154 6.59,1155 5.404,1156 5.3,1157 7.28,1158 6.74,1159 19.503,1160 5.195,1161 15.262,1162 1.557,1163 1.672,1164 1.587,1165 1.523,1166 1.511,1167 1.994,1168 0.335,1169 4.504,1170 1.384,1171 4.021,1172 4.042,1173 4.149,1174 3.958,1175 8.211,1176 3.954,1177 3.897,1178 3.915,1179 4.051,1180 3.851,1181 8.191,1182 3.834,1183 3.771,1184 3.805,1185 3.802,1186 3.66,1187 7.431,1188 3.668,1189 3.419,1190 3.448,1191 3.582,1192 3.289,1193 5.023,1194 3.286,1195 3.062,1196 3.11,1197 3.535,1198 2.95,1199 4.836,1200 2.93,1201 2.934,1202 2.968,1203 3.16,1204 2.849,1205 4.632,1206 2.815,1207 2.901,1208 2.934,1209 3.066,1210 2.824,1211 4.496,1212 2.803,1213 2.885,1214 2.918,1215 2.916,1216 2.733,1217 4.358,1218 2.733,1219 0.15,1220 0.149,1221 0.227,1222 0.138,1223 0.106,1224 4.659,1225 0.138,1226 4.62,1227 0.109,1228 7.045,1229 0.389,1230 4.27,1231 0.103,1232 3.3,1233 4.28,1234 3.37,1235 12.073,1236 3.195,1237 1.952,1238 1.939,1239 1.985,1240 2.047,1241 1.152,1242 2.035,1243 1.86,1244 1.845,1245 1.917,1246 1.944,1247 1.038,1248 1.945,1249 1.722,1250 1.69,1251 1.807,1252 1.849,1253 0.883,1254 1.848,1255 1.337,1256 1.31,1257 1.439,1258 1.522,1259 0.467,1260 1.504,1261 1.004,1262 0.959,1263 1.121,1264 1.178,1265 0.188,1266 1.171,1267 0.865,1268 0.827,1269 1.114,1270 1.068,1271 0.16,1272 1.08,1273 0.849,1274 0.825,1275 1,1276 0.989,1277 0.105,1278 1.004,1279 0.835,1280 0.802,1281 0.869,1282 0.962,1283 0.073,1284 0.979,1285 4.143,1287 5.493,1289 7.047,1291 8.699,1293 10.401,1296 12.496,1297 26.974,1305 1.018,1307 1.389,1312 29.022,1313 74.755,1314 138.711,1315 167.24,1316 184.75,1317 184.75,1318 184.75,1319 65.282,1320 7.782,1321 47.26,1322 72.56,1323 24,1324 12.72,1325 4.17,1326 3.585,1327 42.438,1328 108,1329 114,1330 0.198,1331 185.822,1332 339.84,1333 445.166,1334 25663,1335 10.8,1336 19.836,1337 0.708,1338 0.578,1339 19.449,1340 16.195,1341 13.436,1342 0.433,1343 0.306,1344 7.912,1345 11.887,1346 7.662,1347 6.261,1348 13.617,1349 9.471,1350 12.589,1351 0.28,1352 0.168,1353 12.874,1354 7.576,1355 10.617,1356 0.174,1357 0.09,1358 11.159,1359 5.52,1360 9.166,1361 0.11,1362 0.049,1363 10.128,1364 4.053,1365 7.701,1366 0.071,1367 0.026,1368 8.564,1369 2.785,1370 0.308,1371 94.793,1372 0.221,1373 26.455,1374 0.554,1375 152,1376 622.16,1377 225.339,1378 631.651,1379 821.71,1380 584,1381 182,1382 531.755,1383 244.079,1384 560.053,1385 827.23,1386 527,1387 5} {0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,119 41.5,120 1,121 1,125 1,142 3,143 3,144 4,145 1,151 1,157 1,161 1,172 4,174 1,175 3,178 3,180 3,183 4,188 6,193 4,196 3,200 6,203 1,205 2,208 3,212 1,213 6,216 1,218 2,221 3,225 1,230 2,233 6,238 2,239 3,243 1,244 2,247 3,253 4,256 1,261 2,266 3,269 2,271 1,274 3,278 1117,279 17.508,280 17.508,281 17.508,282 17.508,283 17.508,284 15.102,285 9.931,286 9.968,287 17.991,288 14.211,289 14.211,290 14.211,291 14.211,292 14.211,293 10.454,294 6.141,295 4.577,296 15.1,297 3.276,298 1.122,299 0.427,300 0.262,301 0.262,302 0.262,303 4.011,304 1,307 1,308 1,309 566,310 4,313 58.129,314 162.885,317 109.256,321 1.556,322 63.062,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 61.833,334 270,335 4.724,336 4.459,337 6.959,338 4.283,339 3.307,340 4.565,342 11.67,343 3.247,344 4.647,345 3.72,346 6.747,347 4.139,348 3.194,349 4.496,351 11.053,352 2.988,353 4.416,354 3.21,355 6.525,356 3.929,357 2.974,358 4.166,360 10.176,361 2.821,362 3.788,363 3,364 5.766,365 3.358,366 2.398,367 3.218,369 7.61,370 2.292,371 3.556,372 2.71,373 5.372,374 3.077,375 2.175,376 2.938,378 6.414,379 1.937,380 3.401,381 2.628,382 4.959,383 2.92,384 2.002,385 2.727,387 5.783,388 1.752,389 3.073,390 1.949,391 4.652,392 2.592,393 1.639,394 2.306,396 4.574,397 1.549,398 2.782,399 1.727,400 4.324,401 2.273,402 1.306,403 1.885,405 3.618,406 1.248,407 2.533,408 1.261,409 3.878,410 2.117,411 1.127,412 1.482,414 2.556,415 1.113,416 2.182,417 1.238,418 3.602,419 1.977,420 1.015,421 1.16,423 1.918,424 0.956,425 2.03,426 0.882,427 3.229,428 1.471,429 0.545,430 0.778,432 1.353,433 0.489,434 1.598,435 0.757,436 3.02,437 1.254,438 0.338,439 0.405,441 0.807,442 0.304,443 1.17,444 0.74,445 2.749,446 0.744,447 -0.179,448 -0.223,450 -0.442,451 -0.148,452 1,453 0.407,454 2.568,455 0.448,456 -0.397,457 -0.52,459 -0.789,460 -0.283,461 0.999,462 0.19,463 2.375,464 0.429,465 -0.494,466 -0.527,468 -0.931,469 -0.439,470 12.819,471 0.475,472 0.941,473 0.035,474 36.25,475 1.343,476 19,477 0.704,478 17.25,479 0.639,480 21.809,481 0.808,482 29.781,483 0.726,484 30.411,485 1.126,486 6.951,487 0.257,488 5.78,489 0.214,490 0.217,491 0.065,492 0.351,495 2,497 0.545,498 1.045,499 0.652,500 1.107,501 0.589,502 0.838,503 0.601,504 1.008,505 0.811,506 1.044,507 0.576,508 0.906,509 1.049,510 1.064,511 0.963,512 0.993,513 1.044,514 0.902,515 1.154,516 1.098,517 0.967,518 1.031,519 1.161,520 0.836,521 1.193,522 1,523 0.86,524 0.827,525 1.299,526 0.876,527 1.309,528 1.321,529 0.95,530 1.085,531 1.408,532 0.992,533 1.103,534 1.251,535 0.806,536 0.882,537 1.06,538 1.024,539 1.14,540 1.143,541 1.028,542 1.063,543 1.106,544 1.037,545 7,546 0.132,547 4,548 2.882,549 2.138,550 1.08,551 0.94,552 0.494,553 0.351,554 0.195,555 7608,556 31568,557 1.963,558 34.1,559 3,560 5,561 1,562 1,563 2,565 2,568 1.706,569 1.77,570 3.28,571 0.377,573 1,578 85.36,579 2.082,580 4.235,581 4.93,582 5.095,583 5.095,584 5.095,585 2.718,586 4.533,587 4.726,588 3.426,589 1202.48,590 8.23,591 14929.7,593 1,595 1,596 219.66,597 1.74,598 4.637,599 0.241,600 0.01,601 0.093,602 0.064,603 0.048,604 0.026,605 0.025,606 0.015,607 0.013,608 0.01,609 0.545,610 0.33,611 1,612 1.385,613 131.774,615 -0.071,616 0.107,617 -0.061,618 -0.074,619 0.039,620 0.086,621 -0.084,622 -0.019,623 -0.062,624 0.106,625 0.007,626 -0.131,627 -0.118,628 -0.028,629 -0.02,630 -0.118,631 0.06,632 0.016,633 0.042,634 -0.024,635 0.018,636 0.078,637 0.084,638 -0.032,639 0.004,640 -0.026,641 0.083,642 -0.038,643 0.007,644 -0.117,645 -0.097,646 -0.024,647 -0.121,648 -0.212,649 -0.068,650 0.149,651 0.049,652 -0.013,653 0.019,654 0.193,655 -0.127,656 -0.05,657 -0.017,658 0.079,659 -0.026,660 -0.064,661 -0.02,662 4.731,663 6.786,664 0.556,665 22.217,666 1.046,667 1.136,668 2.526,669 6.381,670 0.71,671 3.401,672 3.784,673 4.043,674 4.331,675 4.511,676 4.585,677 4.7,678 4.787,679 4.754,680 4.762,681 5.899,682 0.699,683 413.86,684 3.401,685 4.977,686 5.838,687 6.751,688 7.633,689 8.548,690 9.44,691 10.356,692 11.253,693 12.168,694 7.3,699 1,702 1,704 1,708 2,709 5,710 1,711 1,714 6,716 16,721 1,734 3,735 41,737 19,738 1,739 29,741 43,742 17,743 13,744 4,745 2,746 1,748 3,749 4,750 1,754 1,760 1,762 14,763 3,767 3,770 1,772 3,776 1,780 1,781 2,783 14,784 7,785 2,786 10,787 2,792 3,796 0.667,797 3,808 1,810 1,814 1,815 2,818 1,842 2,844 1,846 1,847 1,848 2,850 27,854 1,856 2,858 1,871 3,872 7.3,875 3,879 15.25,880 7.712,881 5.861,882 2.453,884 3.302,885 1.454,886 1.005,887 5.406,888 10.574,889 3.714,890 4.416,891 4.972,892 5.604,893 6.116,894 6.447,895 6.841,896 7.227,897 7.379,898 7.689,899 0.857,900 45,901 10.447,903 5.068,904 8.464,905 18.068,907 15.038,909 2.964,910 80.028,913 1,914 141.253,915 104.883,916 49.976,917 39.149,918 69.458,919 29.92,920 5.807,921 99.075,922 249.86,923 79.896,924 8.825,925 3.434,926 43.284,927 121.268,928 59.276,929 41.691,930 117.711,931 39.149,932 141.253,933 149.051,934 99.378,935 44.956,937 147.631,938 93,941 39.808,942 76.053,943 78.147,945 171.173,946 119.434,947 144.031,949 5.807,950 141.253,951 43.727,952 55.349,953 33.191,954 155.312,955 141.253,956 149.354,957 144.031,959 0.596,960 0.348,961 0.191,962 0.098,963 21,964 11,965 0.14,966 6,967 1,968 1.133,969 3.627,970 235.898,971 0.133,972 15,973 126.382,978 1,979 19.589,980 7.451,981 3.92,982 0.617,983 132.569,984 5.835,985 3.99,986 2.728,989 -3.55,991 33.191,992 434.639,993 40,996 -3.814,998 36.519,1002 -0.961,1005 42.898,1006 46.573,1007 0.389,1008 0.791,1009 0.92,1010 0.951,1011 0.951,1012 0.951,1013 4.977,1014 1.306,1015 5.894,1016 4.574,1017 4.466,1018 5.103,1020 6.792,1021 4.357,1022 6.261,1023 1.127,1024 7.52,1025 3.618,1026 4.369,1027 5.33,1029 8.019,1030 4.188,1031 7.643,1032 1.015,1033 9.251,1034 2.556,1035 6.196,1036 7.508,1038 11.06,1039 6.005,1040 9.065,1041 0.545,1042 11.04,1043 1.918,1044 6.858,1045 8.488,1047 13.027,1048 6.609,1049 10.516,1050 0.338,1051 12.864,1052 1.353,1053 8.243,1054 10.229,1056 15.659,1057 7.981,1058 11.987,1059 -0.179,1060 14.712,1061 0.807,1062 9.207,1063 11.509,1065 17.899,1066 8.901,1067 13.473,1068 -0.397,1069 16.576,1070 -0.442,1071 10.446,1072 13.1,1074 20.4,1075 10.119,1076 3.307,1077 -0.494,1078 18.452,1079 -0.789,1080 11.533,1081 14.504,1083 22.748,1084 11.169,1085 3.194,1086 11.67,1087 20.337,1088 -0.931,1089 12.723,1090 16.04,1092 25.202,1093 12.335,1094 2.974,1095 11.053,1096 22.229,1097 4.565,1098 13.859,1099 17.498,1101 27.595,1102 13.44,1103 2.398,1104 10.176,1105 24.127,1106 4.496,1107 15.035,1108 19.012,1110 30.033,1111 14.591,1112 2.175,1113 7.61,1114 26.028,1115 4.166,1116 16.192,1117 20.494,1119 32.448,1120 15.721,1121 2.002,1122 6.414,1123 27.934,1124 3.218,1125 17.364,1126 22.001,1128 34.881,1129 16.87,1130 1.639,1131 5.783,1132 29.842,1133 2.938,1134 18.531,1135 23.494,1137 37.306,1138 18.012,1139 7624,1140 15673,1141 18.205,1142 29.091,1143 44.355,1144 47.401,1145 46.895,1146 44.271,1147 44.04,1148 60.252,1150 135.065,1151 41.391,1152 5.574,1153 6.459,1154 6.676,1155 5.326,1156 5.307,1157 7.565,1159 19.344,1160 5.247,1161 17.232,1162 1.529,1163 1.635,1164 1.617,1165 1.527,1166 1.519,1167 2.078,1169 4.657,1170 1.427,1171 4.134,1172 4.162,1173 4.723,1174 4.042,1175 8.21,1176 4.042,1177 4.02,1178 4.013,1179 4.141,1180 3.963,1181 8.191,1182 3.89,1183 3.836,1184 3.833,1185 3.89,1186 3.767,1187 7.716,1188 3.723,1189 3.435,1190 3.478,1191 3.659,1192 3.321,1193 7.427,1194 3.321,1195 3.392,1196 3.441,1197 3.24,1198 3.23,1199 6.999,1200 3.185,1201 3.138,1202 3.164,1203 3.155,1204 2.94,1205 5.103,1206 2.964,1207 2.937,1208 2.985,1209 2.936,1210 2.723,1211 4.66,1212 2.748,1213 2.789,1214 2.857,1215 2.808,1216 2.594,1217 4.502,1218 2.613,1219 0.163,1220 0.154,1221 0.24,1222 0.148,1223 0.114,1224 4.724,1225 0.157,1226 4.459,1228 6.959,1229 0.402,1230 4.283,1231 0.112,1232 3.307,1233 4.565,1235 11.67,1236 3.247,1237 1.941,1238 1.935,1239 1.968,1240 2.044,1241 1.273,1242 2.055,1243 1.851,1244 1.838,1245 1.904,1246 1.973,1247 1.104,1248 1.969,1249 1.748,1250 1.747,1251 1.877,1252 1.88,1253 1.001,1254 1.906,1255 1.499,1256 1.451,1257 1.623,1258 1.702,1259 0.7,1260 1.691,1261 1.33,1262 1.292,1263 1.376,1264 1.547,1265 0.631,1266 1.593,1267 1.083,1268 1.047,1269 1.202,1270 1.282,1271 0.275,1272 1.265,1273 0.841,1274 0.814,1275 1.068,1276 1.096,1277 0.19,1278 1.102,1279 0.825,1280 0.773,1281 0.999,1282 0.997,1283 0.096,1284 1.001,1285 4.078,1287 5.442,1288 2.398,1289 6.995,1290 4.727,1291 8.636,1292 6.843,1293 10.324,1295 1.644,1296 5.876,1297 29.029,1301 0.076,1303 2.039,1312 28.677,1313 85.36,1314 173.644,1315 202.15,1316 208.905,1317 208.905,1318 208.905,1319 96.218,1320 7.271,1321 91.92,1322 100.3,1323 17,1324 12.683,1325 4.322,1326 3.585,1327 46.765,1328 93,1329 109,1330 0.246,1331 182.473,1332 316.99,1333 436.993,1334 12953,1335 7.3,1336 19.767,1337 0.732,1338 0.577,1339 18.777,1340 15.587,1341 12.731,1342 0.439,1343 0.342,1344 7.923,1345 11.074,1346 7.606,1347 6.276,1348 13.035,1349 9.92,1350 12.312,1351 0.286,1352 0.188,1353 13.071,1354 8.064,1355 9.756,1356 0.174,1357 0.098,1358 9.888,1359 5.482,1360 8.468,1361 0.113,1362 0.052,1363 8.641,1364 3.917,1365 6.216,1366 0.069,1367 0.025,1368 6.326,1369 2.255,1370 0.377,1371 92.697,1372 0.234,1373 25.434,1374 0.705,1375 144,1376 626.803,1377 212.35,1378 598.762,1379 768.64,1380 546,1381 171,1382 494.02,1383 242.126,1384 528.44,1385 773.65,1386 494,1387 5} {0 CHEMBL1230122,1 1.817,2 11.893,3 2.065,4 4.265,5 100.648,6 8.444,7 0.387,8 3.972,9 4.075,10 3.634,11 3.442,12 5.174,13 3.477,14 4.524,15 4.679,16 4.021,17 3.817,18 5.755,19 3.846,20 4.782,21 4.965,22 4.116,23 3.925,24 6.075,25 3.942,26 4.768,27 4.987,28 3.978,29 3.838,30 6.099,31 3.833,32 4.613,33 4.811,34 3.912,35 3.774,36 5.865,37 3.773,38 4.584,39 4.779,40 3.906,41 3.762,42 5.991,43 3.76,44 4.536,45 4.727,46 3.806,47 3.765,48 5.728,49 3.735,50 4.601,51 4.82,52 3.711,53 3.674,54 5.963,55 3.624,56 0.189,57 0.829,58 7.429,59 4.048,60 15.789,61 4.522,62 0.566,63 1.297,64 16.537,65 6.78,66 36.183,67 7.75,68 1.01,69 1.543,70 24.641,71 8.321,72 85.33,73 9.967,74 1.1,75 1.527,76 26.448,77 7.762,78 127.208,79 9.774,80 0.81,81 1.229,82 21.053,83 6.784,84 61.86,85 8.709,86 0.86,87 1.264,88 19.707,89 6.207,90 89.163,91 7.913,92 0.527,93 1.277,94 18.143,95 7.345,96 45.817,97 9.064,98 0.962,99 1.287,100 22.284,101 7.417,102 110.521,103 9.248,104 17,105 44,106 0.311,107 0.688,108 0.83,109 0.855,110 0.855,111 0.855,112 3.375,113 0.856,114 -4.19,115 -4.13,116 -3.9,119 41.3,121 2,124 1,125 2,127 1,135 1,138 1,142 3,143 1,144 3,145 1,147 1,150 1,158 1,172 2,174 3,175 7,178 2,180 2,183 2,187 2,188 7,196 1,199 2,200 5,203 2,205 1,208 1,212 2,213 2,218 1,221 3,224 3,225 6,228 1,233 4,239 2,242 1,247 2,252 1,253 7,266 3,271 1,278 1118,279 18.809,280 18.809,281 18.809,282 18.809,283 18.809,284 17.006,285 29.266,286 10.996,287 19.439,288 15.29,289 15.29,290 15.29,291 15.29,292 15.29,293 12.456,294 45.306,295 5.275,296 16.348,297 3.707,298 1.508,299 0.685,300 0.538,301 0.538,302 0.538,303 4.071,306 1,307 1,308 1,309 725,310 2.646,314 326.922,318 122.023,321 2.258,322 47.37,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 64,334 333,335 4.511,336 3.782,337 6.734,338 4.157,339 3.204,340 4.091,341 1.2,342 10.867,343 3.052,344 4.235,345 3.282,346 6.118,347 3.799,348 2.865,349 3.882,350 0.86,351 8.932,352 2.662,353 3.961,354 2.974,355 5.888,356 3.606,357 2.663,358 3.373,359 0.86,360 8.094,361 2.512,362 3.616,363 2.772,364 5.532,365 3.405,366 2.435,367 2.836,368 0.4,369 7.439,370 2.358,371 3.468,372 2.74,373 5.272,374 3.077,375 2.159,376 2.741,377 0.293,378 6.317,379 1.972,380 3.332,381 2.441,382 4.996,383 2.985,384 2.037,385 2.49,387 5.932,388 1.912,389 3.272,390 2.355,391 4.942,392 2.903,393 1.979,394 2.364,396 5.686,397 1.813,398 2.836,399 1.977,400 4.206,401 2.379,402 1.44,403 1.964,405 3.747,406 1.336,407 2.612,408 1.907,409 3.955,410 2.278,411 1.414,412 1.587,414 3.039,415 1.211,416 2.437,417 1.599,418 3.595,419 2.036,420 1.097,421 1.435,423 2.912,424 1.022,425 2,426 1.2,427 3.265,428 1.969,429 1,430 1,432 2.136,433 0.963,434 1.896,435 1.029,436 3.247,437 1.454,438 0.506,439 0.626,441 1.223,442 0.466,443 1.644,444 0.786,445 3.087,446 1.263,447 0.315,448 0.389,450 0.787,451 0.297,452 1.358,453 0.431,454 2.843,455 1.031,456 0.112,457 0.137,459 0.276,460 0.102,461 0.912,462 0.235,463 2.642,464 0.655,465 -0.264,466 -0.294,468 -0.685,469 -0.241,470 12.671,471 0.453,472 0.75,473 0.027,474 36,475 1.286,476 16.5,477 0.589,478 19.5,479 0.696,480 22.217,481 0.793,482 31.129,483 0.677,484 28.614,485 1.022,486 7.218,487 0.258,488 6.29,489 0.225,490 0.111,492 0.387,495 2,497 0.694,498 1.195,499 0.638,500 1.188,501 0.537,502 0.964,503 0.833,504 0.93,505 0.77,506 0.983,507 0.581,508 0.888,509 0.984,510 1.1,511 0.927,512 1.028,513 0.842,514 0.97,515 0.947,516 0.786,517 0.991,518 0.835,519 0.891,520 0.891,521 0.804,522 0.887,523 0.884,524 0.912,525 0.681,526 0.914,527 0.76,528 0.797,529 0.982,530 0.861,531 0.819,532 0.946,533 0.75,534 1.096,535 0.92,536 1.193,537 0.811,538 1.144,539 0.924,540 0.954,541 1.137,542 1.101,543 1.046,544 1.18,545 6,546 0.07,547 3.111,548 2,549 2.013,550 0.785,551 0.889,552 0.512,553 0.312,554 0.211,555 10193,556 33537,557 2.094,558 39.1,560 12,562 1,563 1,566 4,568 1.709,569 1.953,570 3.505,571 -0.252,572 1,573 1,578 83.56,579 1.817,580 4.015,581 4.839,582 4.985,583 4.985,584 4.985,585 3.067,586 4.084,587 4.773,588 3.676,589 1389.44,590 8.294,591 18222,593 1,595 1,596 254.084,597 1.432,598 4.736,599 0.194,600 0.005,601 0.071,602 0.043,603 0.052,604 0.021,605 0.024,606 0.015,607 0.011,608 0.011,609 0.446,610 0.33,611 1,612 0.573,613 140.899,614 -0.064,615 -0.199,616 0.047,617 -0.132,618 -0.031,619 -0.03,620 -0.035,621 -0.006,622 0.061,623 -0.002,624 0.03,625 0.042,626 -0.021,627 -0.154,628 0.014,629 -0.062,630 0.016,631 -0.022,632 -0.017,633 0.102,634 -0.003,635 0.077,636 0.042,637 0.056,638 0.006,639 -0.055,640 0.04,641 0.026,642 0.01,643 0.044,644 0.069,645 0.127,646 -0.079,647 0.053,648 0.086,649 -0.03,650 -0.026,651 -0.194,652 -0.037,653 -0.18,654 -0.017,655 -0.133,656 0.08,657 0.094,658 -0.133,659 -0.112,660 0.056,661 -0.186,662 2.561,663 5.842,664 0.786,665 30.352,666 1.032,667 1.144,668 2.956,669 8.738,670 0.66,671 3.466,672 3.807,673 4.078,674 4.331,675 4.605,676 4.654,677 4.787,678 4.963,679 5.106,680 5.147,681 6.802,682 0.657,683 388.41,684 3.466,685 5.017,686 5.872,687 6.753,688 7.625,689 8.511,690 9.391,691 10.28,692 11.164,693 12.056,694 8.7,699 1,701 1,704 2,709 4,710 2,714 6,716 12,728 1,733 1,734 2,735 46,737 14,738 1,739 31,741 49,742 19,743 10,744 3,745 3,746 3,748 4,749 5,757 3,760 3,762 13,763 6,767 2,772 1,774 1,776 2,780 1,781 2,783 18,784 9,785 1,786 9,792 4,796 0.75,797 3,809 1,815 4,819 1,829 1,833 2,841 1,842 3,846 1,848 2,850 28,856 4,858 1,859 2,861 1,862 1,871 2,872 6.5,875 1,876 1,877 1,879 14.333,880 8.636,881 6.056,882 2.741,884 2.669,885 1.346,886 0.983,887 5.248,888 10.371,889 3.689,890 4.263,891 4.8,892 5.319,893 5.882,894 6.109,895 6.435,896 6.843,897 7.188,898 7.421,899 1,900 46,901 10.454,903 4.645,904 8.113,905 19.22,907 15.806,909 2.613,910 73.167,914 200.109,915 110.449,916 54.706,918 47.145,919 29.92,921 110.449,922 247.253,923 84.626,924 8.396,925 17.378,926 37.905,927 109.446,928 46.718,929 34.147,930 188.338,932 200.109,933 165.155,934 77.065,937 182.945,938 83.229,939 11,941 28.325,942 70.529,943 66.301,945 230.029,946 101.851,947 110.449,950 200.109,951 55.1,952 58.473,953 18.011,954 110.636,955 200.109,956 131.771,957 110.449,959 0.589,960 0.344,961 0.181,962 0.103,963 22,964 10,965 0.082,966 4,967 1,968 1.091,969 3.975,970 245.873,971 0.091,972 22,973 130.606,979 18.789,980 7.82,981 4.012,983 131.771,984 4.447,985 8.719,989 -0.466,991 18.011,992 442.329,993 39,998 12.611,1000 1.443,1002 -0.596,1005 47.483,1006 52.622,1007 0.329,1008 0.727,1009 0.876,1010 0.903,1011 0.903,1012 0.903,1013 4.949,1014 1.44,1015 5.866,1016 5.686,1017 4.489,1018 4.949,1019 1.968,1020 6.678,1021 4.361,1022 6.147,1023 1.414,1024 7.43,1025 3.747,1026 4.111,1027 4.771,1028 0.325,1029 7.548,1030 3.922,1031 7.454,1032 1.097,1033 9.089,1034 3.039,1035 6.089,1036 7.081,1037 1.913,1038 10.658,1039 5.851,1040 8.791,1041 1,1042 10.805,1043 2.912,1044 6.494,1045 7.677,1046 0.653,1047 12.325,1048 6.199,1049 10.159,1050 0.506,1051 12.556,1052 2.136,1053 7.961,1054 9.497,1055 1.991,1056 14.968,1057 7.62,1058 11.548,1059 0.315,1060 14.332,1061 1.223,1062 8.737,1063 10.46,1064 1.001,1065 16.998,1066 8.341,1067 12.953,1068 0.112,1069 16.126,1070 0.787,1071 9.999,1072 12.07,1073 2.144,1074 19.473,1075 9.556,1076 3.204,1077 -0.264,1078 17.936,1079 0.276,1080 10.96,1081 13.226,1082 1.37,1083 21.679,1084 10.464,1085 2.865,1086 10.867,1087 19.757,1088 -0.685,1089 12.139,1090 14.731,1091 2.352,1092 24.091,1093 11.597,1094 2.663,1095 8.932,1096 21.589,1097 4.091,1098 13.192,1099 15.991,1100 1.754,1101 26.383,1102 12.598,1103 2.435,1104 8.094,1105 23.429,1106 3.882,1107 14.341,1108 17.443,1109 2.601,1110 28.772,1111 13.701,1112 2.159,1113 7.439,1114 25.278,1115 3.373,1116 15.439,1117 18.761,1118 2.143,1119 31.108,1120 14.75,1121 2.037,1122 6.317,1123 27.132,1124 2.836,1125 16.581,1126 20.184,1127 2.879,1128 33.49,1129 15.845,1130 1.979,1131 5.932,1132 28.993,1133 2.741,1134 17.703,1135 21.535,1136 2.535,1137 35.848,1138 16.92,1139 9651,1140 17723,1141 20.69,1142 30.353,1143 47.133,1144 48.743,1145 47.877,1146 46.583,1147 46.454,1148 57.831,1149 7.226,1150 134.772,1151 43.354,1152 5.511,1153 5.782,1154 6.536,1155 5.241,1156 5.204,1157 7.091,1158 2.293,1159 18.408,1160 5.052,1161 13.532,1162 1.52,1163 1.572,1164 1.544,1165 1.503,1166 1.499,1167 1.866,1168 0.233,1169 4.347,1170 1.399,1171 4.008,1172 4.043,1173 3.98,1174 3.863,1175 8.211,1176 3.886,1177 3.884,1178 3.912,1179 3.852,1180 3.769,1181 8.191,1182 3.784,1183 3.799,1184 3.845,1185 3.685,1186 3.638,1187 7.428,1188 3.641,1189 3.476,1190 3.521,1191 3.435,1192 3.244,1193 5.004,1194 3.287,1195 3.226,1196 3.301,1197 3.097,1198 2.998,1199 4.728,1200 3.004,1201 3.111,1202 3.206,1203 2.964,1204 2.941,1205 4.61,1206 2.91,1207 3.059,1208 3.113,1209 2.873,1210 2.786,1211 4.299,1212 2.819,1213 2.917,1214 2.963,1215 2.866,1216 2.733,1217 4.091,1218 2.737,1219 0.146,1220 0.122,1221 0.217,1222 0.134,1223 0.103,1224 4.511,1225 0.132,1226 3.782,1227 0.039,1228 6.734,1229 0.351,1230 4.157,1231 0.098,1232 3.204,1233 4.091,1234 1.2,1235 10.867,1236 3.052,1237 1.901,1238 1.876,1239 2.009,1240 2.075,1241 1.345,1242 2.048,1243 1.835,1244 1.805,1245 1.951,1246 1.982,1247 1.04,1248 1.976,1249 1.762,1250 1.716,1251 1.895,1252 1.936,1253 0.986,1254 1.927,1255 1.356,1256 1.313,1257 1.581,1258 1.625,1259 0.825,1260 1.599,1261 1.195,1262 1.112,1263 1.513,1264 1.443,1265 0.627,1266 1.451,1267 1.153,1268 1.064,1269 1.406,1270 1.376,1271 0.49,1272 1.429,1273 0.958,1274 0.899,1275 1.228,1276 1.27,1277 0.321,1278 1.254,1279 0.862,1280 0.805,1281 1.117,1282 1.069,1283 0.157,1284 1.08,1285 4.143,1287 5.476,1289 7.009,1291 8.635,1293 10.308,1295 1.545,1297 26.895,1301 3.085,1303 3.253,1304 10.707,1306 0.215,1307 1.308,1312 30.211,1313 83.56,1314 184.7,1315 222.574,1316 229.329,1317 229.329,1318 229.329,1319 63.349,1320 7.702,1321 78.27,1322 78.27,1323 24,1324 12.585,1325 3.907,1326 3.17,1327 42.538,1328 117,1329 112,1330 0.185,1331 181.594,1332 327.41,1333 434.85,1334 23520,1335 4.3,1336 19.673,1337 0.703,1338 0.54,1339 17.933,1340 15.115,1341 13.508,1342 0.436,1343 0.285,1344 8.64,1345 12.666,1346 8.52,1347 6.979,1348 12.704,1349 8.85,1350 12.448,1351 0.283,1352 0.149,1353 11.297,1354 6.553,1355 10.617,1356 0.183,1357 0.079,1358 9.763,1359 4.584,1360 8.605,1361 0.115,1362 0.041,1363 7.989,1364 3.061,1365 7.222,1366 0.073,1367 0.021,1368 6.794,1369 2.059,1370 0.291,1371 87.067,1372 0.22,1373 26.866,1374 0.504,1375 150,1376 620.697,1377 175.427,1378 531.617,1379 704.05,1380 496,1381 177,1382 504.635,1383 202.555,1384 490.705,1385 724.33,1386 461,1387 5.9} {0 CHEMBL1230165,1 1.683,2 8.72,3 4.132,4 17.074,5 94.636,6 9.454,7 0.786,8 3.753,9 3.838,10 3.516,11 3.405,12 5.021,13 3.404,14 4.198,15 4.299,16 3.912,17 3.794,18 5.559,19 3.777,20 4.452,21 4.598,22 3.984,23 3.919,24 5.675,25 3.883,26 4.481,27 4.649,28 3.926,29 3.831,30 5.714,31 3.798,32 4.422,33 4.608,34 3.808,35 3.772,36 5.665,37 3.728,38 4.305,39 4.479,40 3.768,41 3.739,42 5.467,43 3.687,44 4.282,45 4.438,46 3.776,47 3.717,48 5.544,49 3.65,50 4.272,51 4.452,52 3.682,53 3.568,54 5.604,55 3.489,56 0.089,57 0.496,58 4.184,59 2.765,60 9.648,61 2.837,62 0.219,63 0.79,64 7.094,65 4.462,66 31.702,67 4.865,68 0.255,69 1.016,70 14.369,71 6.285,72 25.845,73 6.889,74 0.35,75 1.051,76 15.762,77 6.573,78 40.894,79 7.114,80 0.441,81 1.035,82 16.599,83 6.101,84 47.421,85 6.773,86 0.234,87 0.867,88 12.442,89 5.708,90 26.831,91 6.755,92 0.242,93 0.803,94 11.501,95 5.828,96 21.121,97 6.975,98 0.382,99 0.761,100 16.009,101 6.16,102 49.027,103 6.939,104 11,105 40,106 0.295,107 0.601,108 0.781,109 0.914,110 0.914,111 0.914,112 3.268,113 0.849,114 -4.68,115 -4.6,116 -4.33,119 51.4,142 8,143 4,144 2,145 2,146 1,147 1,158 1,167 1,170 1,172 9,173 1,175 6,178 2,180 4,183 12,184 2,188 8,193 5,196 8,197 1,200 5,201 1,205 5,208 7,209 1,212 2,213 4,216 2,218 3,221 8,222 1,225 4,230 2,231 1,233 9,234 1,239 3,240 1,242 1,243 1,244 1,247 10,248 1,252 1,253 2,256 1,258 1,261 8,262 2,266 4,271 2,274 5,275 1,278 863,279 16.947,280 16.947,281 16.947,282 16.947,283 16.947,284 14.242,285 13.366,286 9.942,287 17.263,288 13.854,289 13.854,290 13.854,291 13.854,292 13.854,293 9.776,294 21.058,295 4.744,296 14.415,297 3.527,298 1.783,299 0.757,303 3.968,304 1,307 1,308 1,309 475,310 2.828,314 211.495,318 162.411,321 1.274,322 25.961,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 53.833,334 218,335 4.723,336 3.582,337 6.838,338 4.229,339 3.247,340 4.795,341 1.437,342 11.386,343 3.193,344 4.172,345 3.259,346 6.086,347 3.765,348 2.776,349 3.842,350 0.4,351 8.799,352 2.744,353 4.043,354 2.984,355 5.835,356 3.605,357 2.649,358 3.649,360 7.964,361 2.517,362 3.781,363 2.631,364 5.54,365 3.33,366 2.352,367 3.243,369 7.341,370 2.293,371 3.594,372 2.388,373 5.291,374 3.1,375 2.164,376 3.049,378 6.5,379 2.012,380 3.244,381 2.06,382 4.731,383 2.773,384 1.861,385 2.506,387 5.203,388 1.628,389 2.971,390 1.815,391 4.107,392 2.426,393 1.477,394 2.2,396 3.475,397 1.395,398 2.831,399 1.48,400 3.883,401 2.303,402 1.302,403 1.907,405 3.08,406 1.289,407 2.671,408 1.281,409 3.732,410 2.178,411 1.203,412 1.75,414 2.697,415 1.148,416 2.517,417 1.087,418 3.572,419 1.996,420 1,421 1.485,423 2.532,424 0.99,425 2.453,426 1.041,427 3.478,428 1.956,429 1,430 1.432,432 2.504,433 0.953,434 1.461,435 0.45,436 2.995,437 1.043,438 0.091,439 0.12,441 0.252,442 0.086,443 1.136,444 0.229,445 2.625,446 0.641,447 -0.327,448 -0.45,450 -0.806,451 -0.252,452 1.039,453 0.183,454 2.573,455 0.562,456 -0.386,457 -0.528,459 -0.982,460 -0.33,461 0.867,462 -0.267,463 2.307,464 0.361,465 -0.467,466 -0.622,468 -1.233,469 -0.408,470 12.081,471 0.483,472 0.644,473 0.026,474 38.25,475 1.53,476 22,477 0.88,478 16.25,479 0.65,480 15.893,481 0.636,482 24.519,483 0.663,484 27.636,485 1.105,486 7.66,487 0.306,488 4.455,489 0.178,490 0.114,492 0.372,497 0.773,498 1.026,499 0.551,500 0.74,501 0.731,502 0.697,503 0.534,504 1.066,505 0.64,506 0.871,507 0.42,508 0.867,509 0.885,510 1.177,511 0.979,512 1.037,513 0.719,514 1.011,515 1.025,516 1.261,517 0.893,518 1.05,519 0.966,520 1.039,521 0.909,522 0.814,523 0.984,524 0.838,525 0.807,526 0.92,527 0.648,528 0.95,529 0.711,530 0.934,531 0.608,532 0.954,533 0.643,534 1.033,535 0.83,536 1.085,537 0.732,538 1.111,539 1.187,540 0.886,541 1.159,542 0.99,543 1.293,544 1.043,545 5,546 0.083,547 2.667,548 1.875,549 1.533,550 0.799,551 0.607,552 0.439,553 0.287,554 0.147,555 6688,556 22861,557 2.13,558 32.4,560 8,562 2,563 2,568 1.686,569 2,570 3.147,571 0.273,573 1,578 62.265,579 1.683,580 3.426,581 4.453,582 5.209,583 5.209,584 5.209,585 2.519,586 4.404,587 4.614,588 3.279,589 983.598,590 8.013,591 11570.5,593 1,594 1,595 1,596 192.75,597 1.388,598 4.579,599 0.179,600 0.01,601 0.067,602 0.045,603 0.04,604 0.023,605 0.018,606 0.014,607 0.011,608 0.009,609 0.417,610 0.33,611 1,612 0.739,613 118.22,614 -0.109,615 -0.016,616 -0.008,617 0.069,618 -0.131,619 0.06,620 0.137,621 -0.049,622 -0.012,623 -0.04,624 0.187,625 -0.072,626 -0.125,627 -0.161,628 -0.127,629 -0.132,630 -0.05,631 -0.112,632 -0.109,633 -0.23,634 -0.051,635 -0.124,636 -0.093,637 -0.1,638 -0.015,639 0.275,640 -0.11,641 0.09,642 -0.024,643 0.029,644 0.027,645 0.039,646 0.072,647 0.008,648 0.011,649 0.031,650 0.146,651 -0.113,652 0.049,653 -0.113,654 0.069,655 -0.12,656 -0.009,657 0.022,658 0.036,659 0.074,660 -0.031,661 0.023,662 2.653,663 4.251,664 0.8,665 20.061,666 1.019,667 1.106,668 3.453,669 11.924,670 0.746,671 3.367,672 3.714,673 4.007,674 4.317,675 4.625,676 4.762,677 4.956,678 5.124,679 5.257,680 5.231,681 5.458,682 0.729,683 349.79,684 3.367,685 4.92,686 5.784,687 6.678,688 7.564,689 8.467,690 9.362,691 10.269,692 11.17,693 12.081,694 8.1,702 1,704 2,708 4,709 10,710 2,714 4,716 22,725 1,728 1,734 1,735 37,737 23,738 2,739 28,741 40,742 19,743 18,744 5,745 7,746 1,748 4,749 7,750 1,762 19,767 1,772 1,776 1,780 1,783 12,784 5,785 2,786 6,787 1,792 3,796 0.5,797 2,808 2,815 4,819 2,840 1,842 2,847 1,850 25,855 1,858 1,871 1,872 5.4,874 1,875 1,879 12.5,880 6.743,881 5.389,882 2.076,884 4.472,885 1.586,886 1.023,887 3.902,888 12.109,889 3.714,890 4.407,891 5.082,892 5.77,893 6.454,894 6.9,895 7.448,896 7.968,897 8.458,898 8.719,899 0.833,900 42,901 9.175,903 4.003,904 7.924,905 17.109,907 14.159,909 2.424,910 60.611,914 117.711,915 116.449,916 51.582,917 39.149,918 67.828,921 116.449,922 224.688,923 51.582,926 75.81,927 125.851,928 55.412,929 2.328,930 94.169,931 39.149,932 117.711,933 168.03,934 67.828,935 39.149,937 117.711,938 67.828,941 38.25,942 96.21,943 72.72,945 117.711,946 119.41,947 155.597,950 117.711,951 22.544,952 93.905,953 18.011,954 140.548,955 117.711,956 119.41,957 155.597,959 0.586,960 0.34,961 0.188,962 0.109,963 21,964 9,965 0.075,966 3,967 2,968 1.2,969 3.64,970 218.95,971 0.2,972 20,973 116.096,979 15.67,980 6.226,981 2.966,982 3.231,983 119.41,984 17.55,985 8.816,989 2.225,991 60.694,992 392.718,993 40,998 11.251,1002 -0.987,1005 37.702,1006 40.934,1007 0.323,1008 0.658,1009 0.855,1010 1,1011 1,1012 1,1013 4.938,1014 1.302,1015 5.778,1016 3.475,1017 4.394,1018 5.094,1019 1.695,1020 6.611,1021 4.323,1022 6.183,1023 1.203,1024 7.347,1025 3.08,1026 4.007,1027 4.997,1029 7.538,1030 3.888,1031 7.512,1032 1,1033 9.016,1034 2.697,1035 6.004,1036 7.433,1037 2.259,1038 10.666,1039 5.886,1040 8.879,1041 1,1042 10.744,1043 2.532,1044 6.415,1045 8.169,1047 12.43,1048 6.273,1049 10.277,1050 0.091,1051 12.51,1052 2.504,1053 7.9,1054 10.082,1055 2.923,1056 15.086,1057 7.752,1058 11.698,1059 -0.327,1060 14.304,1061 0.252,1062 8.694,1063 11.235,1065 17.216,1066 8.532,1067 13.139,1068 -0.386,1069 16.117,1070 -0.806,1071 9.969,1072 12.928,1073 3.619,1074 19.715,1075 9.796,1076 3.247,1077 -0.467,1078 17.946,1079 -0.982,1080 10.951,1081 14.294,1083 22.01,1084 10.767,1085 2.776,1086 11.386,1087 19.788,1088 -1.233,1089 12.143,1090 15.898,1091 4.33,1092 24.458,1093 11.947,1094 2.649,1095 8.799,1096 21.64,1097 4.795,1098 13.218,1099 17.368,1101 26.827,1102 13.009,1103 2.352,1104 7.964,1105 23.501,1106 3.842,1107 14.382,1108 18.94,1109 5.047,1110 29.26,1111 14.161,1112 2.164,1113 7.341,1114 25.37,1115 3.649,1116 15.502,1117 20.459,1119 31.663,1120 15.267,1121 1.861,1122 6.5,1123 27.246,1124 3.243,1125 16.661,1126 22.022,1127 5.769,1128 34.092,1129 16.412,1130 1.477,1131 5.203,1132 29.127,1133 3.049,1134 17.804,1135 23.565,1137 36.51,1138 17.541,1139 6390,1140 11917,1141 18.898,1142 27.591,1143 42.638,1144 43.357,1145 43.604,1146 42.438,1147 42.244,1148 59.959,1149 3.673,1150 123.463,1151 40.497,1152 5.486,1153 5.582,1154 6.517,1155 5.281,1156 5.247,1157 7.795,1158 2.873,1159 18.937,1160 5.193,1161 11.142,1162 1.523,1163 1.548,1164 1.557,1165 1.516,1166 1.509,1167 2.141,1168 0.131,1169 4.409,1170 1.446,1171 4.167,1172 4.191,1173 4.147,1174 4.101,1175 7.475,1176 4.108,1177 3.888,1178 3.914,1179 3.98,1180 3.832,1181 6.351,1182 3.825,1183 3.741,1184 3.766,1185 3.699,1186 3.651,1187 5.08,1188 3.656,1189 3.331,1190 3.375,1191 3.378,1192 3.104,1193 4.933,1194 3.141,1195 3.225,1196 3.243,1197 3.268,1198 3.041,1199 4.682,1200 3.063,1201 2.915,1202 2.977,1203 3.114,1204 2.81,1205 4.424,1206 2.791,1207 2.876,1208 2.921,1209 2.781,1210 2.762,1211 4.242,1212 2.75,1213 2.848,1214 2.891,1215 2.736,1216 2.665,1217 3.812,1218 2.676,1219 0.169,1220 0.128,1221 0.244,1222 0.151,1223 0.116,1224 4.723,1225 0.171,1226 3.582,1227 0.051,1228 6.838,1229 0.407,1230 4.229,1231 0.114,1232 3.247,1233 4.795,1234 1.437,1235 11.386,1236 3.193,1237 2.121,1238 2.102,1239 2.168,1240 2.201,1241 1.323,1242 2.192,1243 1.874,1244 1.85,1245 1.965,1246 1.955,1247 1.058,1248 1.967,1249 1.712,1250 1.689,1251 1.812,1252 1.829,1253 0.893,1254 1.823,1255 1.211,1256 1.169,1257 1.334,1258 1.469,1259 0.331,1260 1.426,1261 1.127,1262 1.1,1263 1.262,1264 1.368,1265 0.323,1266 1.325,1267 0.898,1268 0.84,1269 1.142,1270 1.087,1271 0.197,1272 1.108,1273 0.866,1274 0.824,1275 1.078,1276 1.03,1277 0.15,1278 1.052,1279 0.805,1280 0.762,1281 1.036,1282 1.008,1283 0.046,1284 1.045,1285 4.043,1287 5.38,1289 6.925,1291 8.569,1293 10.268,1296 6.044,1300 9.222,1303 3.258,1312 26.955,1313 62.265,1314 126.776,1315 164.75,1316 192.75,1317 192.75,1318 192.75,1319 37.179,1320 7.637,1321 75.11,1322 75.11,1323 24,1324 12.598,1325 4.585,1326 3.7,1327 35.67,1328 81,1329 77,1330 0.219,1331 167.958,1332 280.97,1333 401.578,1334 20678,1335 2.7,1336 17.389,1337 0.696,1338 0.546,1339 17.889,1340 13.657,1341 12.114,1342 0.433,1343 0.283,1344 7.502,1345 11.467,1346 7.329,1347 6.044,1348 12.403,1349 7.928,1350 11.223,1351 0.281,1352 0.15,1353 11.631,1354 5.991,1355 9.341,1356 0.173,1357 0.077,1358 9.604,1359 4.166,1360 8.106,1361 0.11,1362 0.04,1363 8.374,1364 2.97,1365 6.924,1366 0.069,1367 0.02,1368 7.09,1369 2.048,1370 0.332,1371 78.332,1372 0.23,1373 23.746,1374 0.637,1375 136,1376 417.712,1377 161.498,1378 441.423,1379 594.36,1380 410,1381 162,1382 416.713,1383 181.076,1384 435.215,1385 637.18,1386 410,1387 7.77} {0 CHEMBL1233887,1 1.549,2 7.81,3 2.603,4 6.776,5 79.871,6 7.953,7 0.833,8 3.7,9 3.813,10 3.345,11 3.247,12 4.84,13 3.253,14 4.199,15 4.363,16 3.712,17 3.636,18 5.281,19 3.636,20 4.305,21 4.468,22 3.713,23 3.729,24 5.381,25 3.695,26 4.372,27 4.563,28 3.585,29 3.74,30 5.338,31 3.658,32 4.384,33 4.619,34 3.471,35 3.622,36 5.284,37 3.524,38 4.258,39 4.492,40 3.426,41 3.481,42 5.235,43 3.413,44 4.168,45 4.386,46 3.234,47 3.337,48 5.151,49 3.268,50 3.965,51 4.221,52 2.854,53 3.098,54 4.959,55 2.98,56 0.022,57 0.551,58 6.3,59 2.823,60 5.796,61 3.493,62 0.181,63 0.878,64 12.433,65 4.54,66 14.558,67 5.657,68 0.172,69 0.975,70 13.357,71 5.378,72 15.485,73 6.808,74 0.14,75 0.994,76 15.101,77 6.322,78 14.23,79 8.342,80 0.171,81 0.955,82 17.156,83 6.582,84 16.306,85 9.197,86 0.246,87 0.857,88 15.307,89 5.395,90 18.866,91 7.409,92 0.206,93 0.758,94 13.945,95 4.676,96 18.113,97 6.015,98 0.261,99 0.626,100 11.769,101 3.613,102 22.014,103 5.112,104 6,105 35,106 0.277,107 0.677,108 0.808,109 0.86,110 0.87,111 0.87,112 3.105,113 0.837,114 -2.62,115 -2.64,116 -2.57,119 45.7,124 2,142 4,143 2,144 1,145 2,146 1,151 1,152 2,161 1,172 3,175 6,178 1,180 2,183 4,187 1,188 5,191 1,193 1,196 4,200 4,203 1,205 1,208 2,212 1,213 2,218 1,221 1,224 2,225 3,228 1,230 1,233 1,239 2,252 2,253 2,278 529,279 14.541,280 14.541,281 14.541,282 14.541,283 14.541,284 12.293,285 7.476,286 8.396,287 14.999,288 11.808,289 11.808,290 11.808,291 11.808,292 11.808,293 8.326,294 7.151,295 3.932,296 12.455,297 3.58,298 1.347,299 0.615,300 0.329,301 0.272,302 0.272,303 3.804,306 1,307 1,308 1,309 365,310 2.236,313 72.111,314 95.178,317 140.471,321 1.17,322 11.363,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 45,334 164,335 4.709,336 3.296,337 6.854,338 4.246,339 3.272,340 4.682,341 0.86,342 11.43,343 3.189,344 4.423,345 2.956,346 6.271,347 3.888,348 2.936,349 4.365,351 9.514,352 2.794,353 3.774,354 2.727,355 5.806,356 3.356,357 2.409,358 3.234,360 7.723,361 2.286,362 3.662,363 2.325,364 5.352,365 3.226,366 2.282,367 3.09,369 6.87,370 2.14,371 3.115,372 1.796,373 4.891,374 2.625,375 1.674,376 2.396,378 5.029,379 1.589,380 3.032,381 1.532,382 4.414,383 2.454,384 1.532,385 2.298,387 4.312,388 1.416,389 2.932,390 1.515,391 4.376,392 2.429,393 1.478,394 2.117,396 3.935,397 1.394,398 2.726,399 1.273,400 3.638,401 2.224,402 1.254,403 1.83,405 2.921,406 1.213,407 2.222,408 1.017,409 3.529,410 1.737,411 0.763,412 1.099,414 2.006,415 0.741,416 1.847,417 0.752,418 3,419 1.321,420 0.453,421 0.521,423 0.86,424 0.39,425 1.612,426 0.347,427 2.853,428 1.272,429 0.347,430 0.51,432 0.699,433 0.321,434 0.826,435 -0.218,436 2.552,437 0.434,438 -0.51,439 -0.636,441 -1.095,442 -0.475,443 0.767,444 -0.5,445 2.39,446 0.324,447 -0.626,448 -0.815,450 -1.67,451 -0.59,452 0.688,453 -0.746,454 2.142,455 0.181,456 -0.783,457 -1.127,459 -2.042,460 -0.749,461 0.5,462 -0.967,463 2,464 -0.032,465 -1,466 -1.404,468 -2.625,469 -0.915,470 9.933,471 0.473,472 0.5,473 0.024,474 31.25,475 1.488,476 16.5,477 0.786,478 14.75,479 0.702,480 12.971,481 0.618,482 21.267,483 0.608,484 20.36,485 0.97,486 6.317,487 0.301,488 3.942,489 0.188,490 0.101,492 0.393,497 0.936,498 1.37,499 0.704,500 1.048,501 0.86,502 0.874,503 1.339,504 0.945,505 0.783,506 0.687,507 0.966,508 0.656,509 1.045,510 1.064,511 0.999,512 1.022,513 0.966,514 1.008,515 0.811,516 1.092,517 1.095,518 1.192,519 0.926,520 1.189,521 0.648,522 1.099,523 0.921,524 1.121,525 0.697,526 1.073,527 0.876,528 0.894,529 0.901,530 0.922,531 0.865,532 0.916,533 1.663,534 1.141,535 1.219,536 1.065,537 1.4,538 1.086,539 1.028,540 0.787,541 1.308,542 0.95,543 1.35,544 1.109,545 4,546 0.02,547 2.444,548 1.868,549 1.246,550 0.601,551 0.495,552 0.223,553 0.128,554 0.031,555 4274,556 11108,557 2.185,558 40,560 10,561 1,562 2,563 1,568 1.636,569 2.066,570 3.002,571 -0.291,573 1,575 1,578 54.222,579 1.549,580 3.782,581 4.515,582 4.8,583 4.858,584 4.858,585 2.453,586 3.785,587 4.365,588 3.091,589 649.197,590 7.497,591 6627.37,592 1,593 1,594 1,595 1,596 179.525,597 1.342,598 4.334,599 0.167,600 0.01,601 0.07,602 0.055,603 0.043,604 0.024,605 0.021,606 0.012,607 0.011,608 0.005,609 0.417,610 0.83,611 1,612 0.741,613 92.691,614 -0.053,615 -0.266,616 0.074,617 -0.107,618 -0.077,619 -0.015,620 -0.168,621 0.133,622 0.107,623 0.243,624 -0.001,625 0.221,626 -0.084,627 -0.002,628 -0.138,629 -0.079,630 -0.052,631 -0.114,632 -0.056,633 -0.106,634 -0.204,635 -0.207,636 -0.182,637 -0.226,638 0.128,639 -0.179,640 0.063,641 -0.119,642 0.108,643 -0.052,644 0.148,645 0.073,646 0.106,647 0.043,648 0.153,649 0.062,650 -0.287,651 -0.19,652 -0.198,653 -0.115,654 -0.197,655 -0.144,656 0.014,657 0.219,658 -0.278,659 -0.027,660 -0.146,661 -0.155,662 0.868,663 1.837,664 0.857,665 14.045,666 1.004,667 1.122,668 1.386,669 1.922,670 0.694,671 3.219,672 3.584,673 3.932,674 4.263,675 4.511,676 4.654,677 4.812,678 4.956,679 4.956,680 4.956,681 4.785,682 0.67,683 278.34,684 3.219,685 4.779,686 5.666,687 6.575,688 7.483,689 8.399,690 9.314,691 10.234,692 11.152,693 12.073,694 11.4,702 2,704 2,708 4,709 7,710 2,711 1,714 3,715 1,716 20,733 1,735 35,737 20,738 1,739 24,741 38,742 16,743 14,744 3,745 3,748 4,749 6,762 14,763 2,779 1,780 1,783 14,784 3,785 1,786 5,792 4,796 0.5,797 1,805 1,810 2,814 2,815 2,818 2,842 2,846 2,850 21,859 1,872 2.9,877 1,879 10.167,880 7.1,881 4.556,882 1.939,884 4.063,885 1.555,886 1.059,887 2.722,888 11.387,889 3.555,890 4.284,891 5.012,892 5.719,893 6.303,894 6.766,895 7.281,896 7.798,897 8.093,898 8.484,899 1,900 34,901 7.693,903 3.279,904 7.579,905 14.815,907 12.265,909 2.079,910 43.667,911 0.001,914 153.024,915 104.089,916 52.256,918 11,921 104.089,922 164.024,923 52.256,924 19.279,926 46.952,927 58.829,928 60.925,929 16.672,930 117.711,932 153.024,933 156.345,934 11,937 153.024,938 11,941 40.639,942 82.135,943 33.571,945 153.024,946 63.256,947 104.089,950 153.024,951 19.762,952 86.226,953 16.786,954 44.571,955 153.024,956 63.256,957 104.089,959 0.587,960 0.359,961 0.203,962 0.114,963 20,964 8,965 0.053,966 2,967 2,968 1.222,969 3.341,970 175.065,971 0.222,972 18,973 92.239,979 12.419,980 4.603,981 1.911,982 3.966,983 44.571,984 13.612,985 8.621,986 3.327,989 2.976,990 2.108,991 16.786,992 320.369,993 34,1005 35.153,1006 39.279,1007 0.302,1008 0.737,1009 0.88,1010 0.936,1011 0.947,1012 0.947,1013 4.787,1014 1.254,1015 5.666,1016 3.935,1017 4.263,1018 4.97,1019 0.908,1020 6.532,1021 4.169,1022 6.041,1023 0.763,1024 7.255,1025 2.921,1026 3.892,1027 4.913,1029 7.506,1030 3.767,1031 7.384,1032 0.453,1033 8.942,1034 2.006,1035 5.905,1036 7.353,1037 0.739,1038 10.649,1039 5.738,1040 8.77,1041 0.347,1042 10.688,1043 0.86,1044 6.382,1045 8.165,1047 12.471,1048 6.189,1049 10.189,1050 -0.51,1051 12.471,1052 0.699,1053 7.86,1054 10.051,1055 0.593,1056 15.126,1057 7.634,1058 11.633,1059 -0.626,1060 14.28,1061 -1.095,1062 8.719,1063 11.261,1065 17.296,1066 8.47,1067 13.096,1068 -0.783,1069 16.108,1070 -1.67,1071 9.993,1072 12.928,1073 0.469,1074 19.791,1075 9.717,1076 3.272,1077 -1,1078 17.951,1079 -2.042,1080 11.024,1081 14.317,1083 22.106,1084 10.725,1085 2.936,1086 11.43,1087 19.806,1088 -2.625,1089 12.223,1090 15.896,1091 0.366,1092 24.55,1093 11.898,1094 2.409,1095 9.514,1096 21.67,1097 4.682,1098 13.33,1099 17.363,1101 26.927,1102 12.982,1103 2.282,1104 7.723,1105 23.543,1106 4.365,1107 14.504,1108 18.908,1109 0.283,1110 29.356,1111 14.132,1112 1.674,1113 6.87,1114 25.421,1115 3.234,1116 15.645,1117 20.408,1119 31.762,1120 15.25,1121 1.532,1122 5.029,1123 27.306,1124 3.09,1125 16.813,1126 21.941,1127 0.217,1128 34.188,1129 16.395,1130 1.478,1131 4.312,1132 29.194,1133 2.396,1134 17.97,1135 23.457,1137 36.607,1138 17.529,1139 4040,1140 6618,1141 16.414,1142 24.284,1143 36.943,1144 37.128,1145 37.929,1146 36.748,1147 36.8,1148 52.284,1149 1.72,1150 110.596,1151 34.943,1152 5.395,1153 5.296,1154 6.537,1155 5.315,1156 5.272,1157 7.682,1158 1.72,1159 18.827,1160 5.189,1161 7.893,1162 1.539,1163 1.547,1164 1.58,1165 1.531,1166 1.533,1167 2.178,1168 0.072,1169 4.608,1170 1.456,1171 4.191,1172 4.227,1173 4.163,1174 4.092,1175 5.145,1176 4.105,1177 3.994,1178 4.039,1179 3.961,1180 3.851,1181 4.945,1182 3.874,1183 3.521,1184 3.564,1185 3.439,1186 3.353,1187 4.608,1188 3.367,1189 3.348,1190 3.416,1191 3.254,1192 3.167,1193 4.334,1194 3.179,1195 3.161,1196 3.249,1197 2.929,1198 2.896,1199 4.081,1200 2.889,1201 2.998,1202 3.065,1203 2.858,1204 2.874,1205 4.045,1206 2.861,1207 2.77,1208 2.865,1209 2.697,1210 2.583,1211 3.749,1212 2.552,1213 2.749,1214 2.836,1215 2.508,1216 2.471,1217 3.436,1218 2.517,1219 0.196,1220 0.137,1221 0.286,1222 0.177,1223 0.136,1224 4.709,1225 0.195,1226 3.296,1227 0.036,1228 6.854,1229 0.476,1230 4.246,1231 0.133,1232 3.272,1233 4.682,1234 0.86,1235 11.43,1236 3.189,1237 1.938,1238 1.92,1239 2.013,1240 2.031,1241 1.175,1242 2.026,1243 1.783,1244 1.737,1245 1.854,1246 1.976,1247 0.921,1248 1.944,1249 1.665,1250 1.615,1251 1.797,1252 1.843,1253 0.837,1254 1.834,1255 1.362,1256 1.298,1257 1.603,1258 1.62,1259 0.644,1260 1.614,1261 1.165,1262 1.086,1263 1.523,1264 1.458,1265 0.558,1266 1.483,1267 1.015,1268 0.959,1269 1.237,1270 1.197,1271 0.322,1272 1.216,1273 0.968,1274 0.897,1275 1.213,1276 1.149,1277 0.261,1278 1.183,1279 0.703,1280 0.642,1281 1.016,1282 0.912,1283 0.101,1284 0.952,1285 3.892,1287 5.242,1288 3.045,1289 6.79,1290 5.476,1291 8.426,1292 7.636,1293 10.109,1295 3.72,1304 5.337,1312 23.434,1313 54.222,1314 132.364,1315 158.015,1316 168.015,1317 170.015,1318 170.015,1319 19.914,1320 7.324,1321 55.73,1322 55.73,1323 22,1324 12.581,1325 4.392,1326 3.459,1327 27.889,1328 59,1329 61,1330 0.236,1331 142.429,1332 223.99,1333 339.286,1334 13679,1336 14.397,1337 0.686,1338 0.561,1339 14.397,1340 11.791,1341 10.258,1342 0.427,1343 0.279,1344 6.571,1345 9.8,1346 6.365,1347 5.304,1348 10.258,1349 6.692,1350 9.328,1351 0.267,1352 0.143,1353 9.328,1354 5.01,1355 8.449,1356 0.169,1357 0.075,1358 8.449,1359 3.747,1360 7.339,1361 0.105,1362 0.039,1363 7.339,1364 2.709,1365 6.053,1366 0.067,1367 0.02,1368 6.053,1369 1.822,1370 0.355,1371 64.641,1372 0.247,1373 20.313,1374 0.696,1375 118,1376 329.004,1377 128.511,1378 320.879,1379 456.31,1380 304,1381 144,1382 352.545,1383 155.567,1384 360.723,1385 529.65,1386 338,1387 5.3} {0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,119 46.2,124 1,142 7,143 2,144 1,145 2,146 2,151 1,161 1,162 1,166 3,172 5,174 2,175 11,183 7,187 2,188 10,196 7,199 2,200 7,208 4,212 2,213 13,221 4,225 6,233 2,238 6,239 6,247 6,252 2,253 2,261 5,266 5,274 3,278 988,279 18.049,280 18.049,281 18.049,282 18.049,283 18.049,284 15.07,285 6.656,286 10.553,287 18.546,288 14.857,289 14.857,290 14.857,291 14.857,292 14.857,293 10.401,294 4.873,295 5.066,296 15.729,297 3.662,298 1.631,299 0.677,300 0.122,301 0.122,302 0.122,303 4.022,306 1,307 1,308 1,309 634,310 2.345,313 115.387,314 187.508,317 94.739,318 107.005,321 1.675,322 13.861,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 55.5,334 279,335 4.578,336 4.573,337 6.574,338 4.062,339 3.134,340 4.523,341 2.95,342 10.474,343 2.934,344 4.403,345 3.285,346 6.185,347 3.897,348 2.922,349 4.334,351 9.236,352 2.85,353 4.205,354 2.928,355 6.129,356 3.768,357 2.813,358 3.852,360 9.027,361 2.664,362 3.695,363 2.788,364 5.386,365 3.234,366 2.328,367 3.121,369 6.992,370 2.1,371 3.56,372 2.518,373 5.053,374 3.113,375 2.17,376 2.971,378 6.072,379 2.027,380 3.271,381 2.209,382 4.952,383 2.752,384 1.824,385 2.61,387 5.519,388 1.682,389 3.118,390 1.618,391 4.413,392 2.603,393 1.618,394 2.427,396 4.36,397 1.592,398 2.894,399 1.471,400 4.245,401 2.372,402 1.406,403 2.084,405 3.804,406 1.355,407 2.821,408 1.414,409 4.017,410 2.329,411 1.365,412 1.962,414 3.15,415 1.312,416 2.613,417 1.31,418 3.616,419 2.107,420 1.15,421 1.664,423 2.982,424 1.093,425 2.223,426 0.964,427 3.286,428 1.707,429 0.761,430 1.098,432 1.789,433 0.714,434 2.183,435 0.833,436 3.261,437 1.646,438 0.694,439 1.029,441 1.65,442 0.659,443 2.088,444 0.684,445 3.17,446 1.561,447 0.612,448 0.897,450 1.499,451 0.577,452 1.317,453 0.467,454 2.88,455 0.859,456 -0.029,457 -0.038,459 -0.079,460 -0.025,461 0.929,462 0.121,463 2.543,464 0.474,465 -0.485,466 -0.649,468 -1.219,469 -0.456,470 12.633,471 0.486,472 0.585,473 0.022,474 40,475 1.538,476 22.5,477 0.865,478 17.5,479 0.673,480 16.575,481 0.637,482 25.167,483 0.645,484 26.762,485 1.029,486 7.858,487 0.302,488 4.901,489 0.189,490 0.04,492 0.34,497 0.615,498 1.039,499 0.629,500 0.838,501 0.702,502 0.783,503 0.988,504 1.141,505 0.745,506 0.881,507 0.818,508 0.768,509 1.042,510 1.082,511 1.18,512 1.142,513 1.017,514 1.009,515 1,516 1.017,517 1.064,518 1.032,519 1.052,520 1.045,521 1.069,522 1.017,523 1.152,524 1.053,525 0.899,526 0.919,527 1.42,528 1.177,529 1.184,530 1.028,531 1.244,532 0.92,533 1.116,534 0.875,535 1.305,536 1.113,537 1.117,538 0.948,539 0.776,540 0.967,541 0.732,542 0.886,543 0.759,544 1.003,545 5,546 0.094,547 2.889,548 1.389,549 1.254,550 0.688,551 0.414,552 0.367,553 0.172,554 0.136,555 8952,556 24672,557 2.241,558 33.3,560 10,561 1,562 2,568 1.689,569 2.167,570 3.413,571 -0.684,573 1,578 63.315,579 1.623,580 3.654,581 4.608,582 5.163,583 5.163,584 5.163,585 2.902,586 4.393,587 4.673,588 3.537,589 1149.49,590 8.088,591 14195.1,592 1,593 1,595 1,596 206.131,597 1.142,598 4.66,599 0.167,600 0.006,601 0.067,602 0.035,603 0.037,604 0.021,605 0.013,606 0.013,607 0.007,608 0.007,609 0.373,610 0.33,611 0.88,612 0.362,613 127.048,614 0.244,615 0.012,616 0.08,617 -0.004,618 0.019,619 -0.014,620 0.005,621 -0.084,622 0.117,623 0.023,624 0.016,625 0.058,626 -0.074,627 -0.048,628 -0.074,629 -0.076,630 -0.036,631 -0.083,632 -0.051,633 -0.037,634 -0.027,635 -0.01,636 -0.09,637 -0.067,638 -0.032,639 -0.003,640 0.028,641 0.046,642 0.026,643 0.072,644 -0.303,645 -0.134,646 -0.084,647 0.003,648 -0.159,649 0.012,650 0.134,651 0.223,652 -0.18,653 -0.089,654 0.012,655 -0.055,656 0.092,657 -0.033,658 0.022,659 -0.036,660 0.198,661 -0.055,662 0.956,663 1.682,664 0.923,665 22.385,666 1.011,667 1.119,668 3.63,669 13.178,670 0.743,671 3.434,672 3.784,673 4.094,674 4.394,675 4.615,676 4.71,677 4.89,678 5.081,679 5.198,680 5.252,681 6.261,682 0.716,683 359.45,684 3.434,685 4.99,686 5.861,687 6.751,688 7.635,689 8.528,690 9.416,691 10.311,692 11.202,693 12.097,694 17.9,702 2,704 5,708 3,709 10,710 5,714 4,715 1,716 26,735 39,737 26,738 1,739 30,741 43,742 18,743 17,744 3,745 3,748 5,749 7,762 17,763 1,779 1,780 1,783 13,784 5,786 8,787 1,792 7,796 0.6,806 1,807 1,808 1,814 2,815 3,818 1,819 1,842 3,843 1,844 1,846 1,850 26,860 1,869 1,879 12,880 7.65,881 5.528,882 2.223,884 5.042,885 1.628,886 1.066,887 3.61,888 13.074,889 3.784,890 4.489,891 5.169,892 5.831,893 6.377,894 6.764,895 7.269,896 7.785,897 8.185,898 8.5,899 1,900 40,901 9.512,903 4.091,904 7.596,905 18.24,907 15.124,909 2.096,910 54.5,914 153.024,915 148.71,916 86.378,920 32.22,921 116.491,922 153.024,923 86.378,924 8.396,926 75.381,927 108.695,928 33.939,929 11.771,930 149.931,932 153.024,933 202.869,935 32.22,937 153.024,941 28.345,942 91.087,943 83.438,944 32.22,945 153.024,946 86.378,947 148.71,950 153.024,951 46.838,952 104.813,954 83.438,955 153.024,956 86.378,957 148.71,959 0.588,960 0.346,961 0.192,962 0.103,963 24,964 9,965 0.07,966 3,967 2,968 1.167,969 3.943,970 230.999,971 0.167,972 24,973 122.211,975 1,979 15.354,980 6.114,981 2.841,982 2.776,983 83.438,984 19.487,985 21.742,989 3.563,990 1.756,992 388.113,993 43,1005 39.44,1006 43.654,1007 0.307,1008 0.691,1009 0.872,1010 0.977,1011 0.977,1012 0.977,1013 5.007,1014 1.406,1015 5.844,1016 4.36,1017 4.466,1018 5.176,1019 2.913,1020 6.661,1021 4.357,1022 6.246,1023 1.365,1024 7.399,1025 3.804,1026 4.007,1027 5.007,1029 7.526,1030 3.828,1031 7.569,1032 1.15,1033 9.051,1034 3.15,1035 6.066,1036 7.503,1037 5.027,1038 10.631,1039 5.852,1040 8.931,1041 0.761,1042 10.76,1043 2.982,1044 6.447,1045 8.204,1047 12.335,1048 6.163,1049 10.325,1050 0.694,1051 12.506,1052 1.789,1053 7.946,1054 10.116,1055 7.185,1056 14.928,1057 7.63,1058 11.741,1059 0.612,1060 14.278,1061 1.65,1062 8.715,1063 11.23,1065 16.978,1066 8.334,1067 13.175,1068 -0.029,1069 16.068,1070 1.499,1071 9.983,1072 12.897,1073 9.348,1074 19.391,1075 9.567,1076 3.134,1077 -0.485,1078 17.872,1079 -0.079,1080 10.935,1081 14.21,1083 21.589,1084 10.457,1085 2.922,1086 10.474,1087 19.686,1088 -1.219,1089 12.108,1090 15.772,1091 11.511,1092 23.938,1093 11.588,1094 2.813,1095 9.236,1096 21.509,1097 4.523,1098 13.145,1099 17.177,1101 26.203,1102 12.565,1103 2.328,1104 9.027,1105 23.339,1106 4.334,1107 14.28,1108 18.695,1109 13.675,1110 28.531,1111 13.652,1112 2.17,1113 6.992,1114 25.174,1115 3.852,1116 15.358,1117 20.145,1119 30.827,1120 14.671,1121 1.824,1122 6.072,1123 27.013,1124 3.121,1125 16.479,1126 21.646,1127 15.838,1128 33.151,1129 15.74,1130 1.618,1131 5.519,1132 28.856,1133 2.971,1134 17.577,1135 23.117,1137 35.464,1138 16.779,1139 8108,1140 13651,1141 20.978,1142 28.972,1143 46.04,1144 48.245,1145 46.067,1146 45.693,1147 45.596,1148 65.145,1149 5.9,1150 133.108,1151 43.118,1152 5.351,1153 6.573,1154 6.262,1155 5.224,1156 5.134,1157 7.523,1158 5.9,1159 17.234,1160 4.934,1161 6.8,1162 1.535,1163 1.608,1164 1.536,1165 1.523,1166 1.52,1167 2.172,1168 0.197,1169 4.437,1170 1.437,1171 4.118,1172 4.169,1173 4.196,1174 4.02,1175 5.211,1176 4.015,1177 4.029,1178 4.063,1179 4,1180 3.894,1181 4.988,1182 3.92,1183 3.863,1184 3.934,1185 3.851,1186 3.65,1187 4.941,1188 3.678,1189 3.454,1190 3.49,1191 3.584,1192 3.402,1193 4.449,1194 3.371,1195 3.268,1196 3.333,1197 3.218,1198 3.119,1199 4.346,1200 3.113,1201 3.032,1202 3.114,1203 3.007,1204 2.894,1205 3.96,1206 2.876,1207 2.979,1208 3.043,1209 2.85,1210 2.822,1211 3.908,1212 2.812,1213 2.742,1214 2.825,1215 2.736,1216 2.633,1217 3.743,1218 2.6,1219 0.153,1220 0.152,1221 0.219,1222 0.135,1223 0.104,1224 4.578,1225 0.151,1226 4.573,1227 0.098,1228 6.574,1229 0.349,1230 4.062,1231 0.098,1232 3.134,1233 4.523,1234 2.95,1235 10.474,1236 2.934,1237 2.027,1238 2.006,1239 2.094,1240 2.104,1241 1.213,1242 2.107,1243 1.863,1244 1.823,1245 1.926,1246 2.038,1247 1.02,1248 2.006,1249 1.502,1250 1.446,1251 1.724,1252 1.802,1253 0.777,1254 1.778,1255 1.461,1256 1.412,1257 1.599,1258 1.568,1259 0.671,1260 1.593,1261 1.347,1262 1.286,1263 1.482,1264 1.508,1265 0.568,1266 1.502,1267 1.169,1268 1.121,1269 1.196,1270 1.422,1271 0.305,1272 1.375,1273 0.962,1274 0.904,1275 1.125,1276 1.141,1277 0.204,1278 1.158,1279 0.772,1280 0.695,1281 1.076,1282 1.06,1283 0.049,1284 1.081,1285 4.111,1287 5.451,1288 3.045,1289 6.98,1290 5.352,1291 8.594,1292 7.391,1293 10.254,1295 1.886,1305 1.526,1312 27.917,1313 63.315,1314 142.505,1315 179.724,1316 201.376,1317 201.376,1318 201.376,1319 26.188,1320 8.031,1321 73.79,1322 99.09,1323 28,1324 12.623,1325 4.755,1326 3.807,1327 33.97,1328 97,1329 93,1330 0.169,1331 172.955,1332 270.13,1333 413.771,1334 36896,1336 17.51,1337 0.673,1338 0.563,1339 17.863,1340 14.629,1341 12.759,1342 0.425,1343 0.294,1344 7.949,1345 11.793,1346 7.697,1347 6.39,1348 13.167,1349 8.82,1350 11.732,1351 0.273,1352 0.16,1353 12.401,1354 6.874,1355 10.289,1356 0.174,1357 0.084,1358 11.046,1359 4.945,1360 8.893,1361 0.111,1362 0.045,1363 9.73,1364 3.598,1365 7.233,1366 0.072,1367 0.025,1368 8.181,1369 2.526,1370 0.266,1371 84.097,1372 0.218,1373 25.09,1374 0.465,1375 146,1376 422.376,1377 186.279,1378 439.426,1379 624.83,1380 414,1381 175,1382 478.65,1383 213.339,1384 498.75,1385 729.05,1386 469,1387 5} {0 CHEMBL1236126,1 1.671,2 11.656,3 3.609,4 13.026,5 115.911,6 7.866,7 0.471,8 4.128,9 4.235,10 3.718,11 3.601,12 5.357,13 3.608,14 4.648,15 4.805,16 4.103,17 3.989,18 5.954,19 3.982,20 4.908,21 5.085,22 4.175,23 4.11,24 6.145,25 4.093,26 5.07,27 5.295,28 4.11,29 4.059,30 6.308,31 4.04,32 4.772,33 4.94,34 4.115,35 4.012,36 6.062,37 4.01,38 4.886,39 5.065,40 4.119,41 4.083,42 6.318,43 4.045,44 4.928,45 5.145,46 4.008,47 4.061,48 6.069,49 4,50 4.822,51 5.027,52 3.981,53 3.964,54 6.116,55 3.917,56 0.224,57 0.812,58 10.547,59 4.887,60 15.763,61 6.084,62 0.582,63 1.263,64 20.509,65 8.204,66 81.66,67 10.646,68 0.549,69 1.529,70 27.708,71 9.748,72 49.293,73 13.032,74 1.347,75 1.54,76 39.425,77 10.024,78 156.867,79 13.744,80 0.591,81 1.361,82 23.973,83 8.317,84 65.628,85 10.898,86 0.945,87 1.46,88 27.887,89 9.578,90 129.963,91 12.871,92 0.759,93 1.448,94 31.373,95 10.638,96 92.383,97 14.482,98 0.946,99 1.327,100 27.739,101 8.755,102 110.013,103 12.195,104 82,105 49,106 0.273,107 0.637,108 0.77,109 0.827,110 0.827,111 0.827,112 3.502,113 0.882,114 -4.82,115 -4.73,116 -4.44,119 39.3,120 3,121 1,123 1,125 2,142 7,143 1,144 2,146 1,152 1,158 2,162 1,166 2,172 8,174 3,175 10,178 3,180 2,183 8,188 18,193 2,196 3,199 3,200 12,203 1,205 4,208 3,212 2,213 8,216 1,218 2,221 9,224 3,225 6,228 4,229 1,230 1,233 6,238 3,239 8,244 2,247 7,252 5,253 4,256 2,258 2,261 5,266 6,269 1,271 5,274 5,278 1930,279 20.703,280 20.703,281 20.703,282 20.703,283 20.703,284 18.338,285 24.987,286 12.06,287 21.084,288 16.727,289 16.727,290 16.727,291 16.727,292 16.727,293 12.959,294 29.433,295 5.669,296 17.342,297 4.137,298 1.905,299 1.088,300 0.737,301 0.737,302 0.737,303 4.177,307 1,308 1,309 768,310 4.848,313 76.913,314 205.937,317 143.629,321 1.969,322 51.329,325 1,326 0.83,327 0.83,328 0.8,329 0.5,330 1,331 1,332 0.85,333 72,334 373,335 4.646,336 4.017,337 7.058,338 4.29,339 3.296,340 4.595,341 2.612,342 11.371,343 3.274,344 4.385,345 3.783,346 6.761,347 4.15,348 3.209,349 4.015,350 2.443,351 11.118,352 3.022,353 4.323,354 3.579,355 6.144,356 3.89,357 2.898,358 3.555,359 1.058,360 9.01,361 2.871,362 3.988,363 3.237,364 5.813,365 3.542,366 2.571,367 3.44,368 0.286,369 7.868,370 2.495,371 3.808,372 2.762,373 5.633,374 3.391,375 2.441,376 3.245,378 7.483,379 2.299,380 3.345,381 2.442,382 5.234,383 2.919,384 1.977,385 2.62,387 6.321,388 1.852,389 3.21,390 2.299,391 4.866,392 2.769,393 1.823,394 2.487,396 5.319,397 1.722,398 3.111,399 2.079,400 4.244,401 2.533,402 1.538,403 2.332,405 3.782,406 1.522,407 2.769,408 1.933,409 4.212,410 2.416,411 1.452,412 1.731,414 3.621,415 1.394,416 2.653,417 1.653,418 3.836,419 2.35,420 1.345,421 1.639,423 3.098,424 1.327,425 2.589,426 1.595,427 3.629,428 2.05,429 1.054,430 1.588,432 2.556,433 1.043,434 2.516,435 1.183,436 3.435,437 2,438 1,439 1.469,441 2.321,442 1,443 2.178,444 1.148,445 3.314,446 1.797,447 0.837,448 1.08,450 1.903,451 0.797,452 1.435,453 1,454 2.916,455 1.152,456 0.229,457 0.265,459 0.421,460 0.209,461 1.204,462 0.77,463 2.825,464 0.77,465 -0.19,466 -0.247,468 -0.523,469 -0.18,470 14.6,471 0.456,472 1.076,473 0.034,474 41.75,475 1.305,476 21,477 0.656,478 20.75,479 0.648,480 27.878,481 0.871,482 35.8,483 0.639,484 36.337,485 1.136,486 8.077,487 0.252,488 7.019,489 0.219,490 0.217,491 0.034,492 0.329,497 0.632,498 1.345,499 0.733,500 1.135,501 0.608,502 0.991,503 0.554,504 1.062,505 0.685,506 0.994,507 0.482,508 0.896,509 0.934,510 1.412,511 0.957,512 1.279,513 0.696,514 1.142,515 1.397,516 0.753,517 1.04,518 0.621,519 1.237,520 0.714,521 0.945,522 1.182,523 0.925,524 1.09,525 0.981,526 1.005,527 0.738,528 1.075,529 1.022,530 1.107,531 0.783,532 1.13,533 0.866,534 1.006,535 0.928,536 1.028,537 0.83,538 1.007,539 0.745,540 0.953,541 0.967,542 0.951,543 0.693,544 0.999,545 8.5,546 0.293,547 4.222,548 2.576,549 1.801,550 1.553,551 0.834,552 0.671,553 0.527,554 0.371,555 12885,556 42978,557 1.951,558 42.9,559 9,560 11,563 2,566 2,568 1.748,569 1.77,570 3.521,571 0.27,573 1,578 93.556,579 1.671,580 3.903,581 4.719,582 5.07,583 5.07,584 5.07,585 2.977,586 4.601,587 4.967,588 3.74,589 1854.85,590 8.712,591 27365.6,593 1,595 1,596 325.212,597 1.709,598 4.888,599 0.25,600 0.009,601 0.086,602 0.052,603 0.039,604 0.032,605 0.018,606 0.016,607 0.013,608 0.01,609 0.526,610 0.17,611 1,612 1.476,613 168.214,614 0.047,615 -0.094,616 0.035,617 -0.016,618 -0.053,619 -0.005,620 0.203,621 0.075,622 0.175,623 0.069,624 0.164,625 0.1,626 -0.1,627 -0.332,628 -0.052,629 -0.262,630 -0.007,631 -0.162,632 -0.2,633 0.18,634 0.024,635 0.282,636 -0.15,637 0.222,638 -0.066,639 -0.063,640 -0.025,641 -0.085,642 -0.08,643 -0.048,644 0.154,645 0.005,646 -0.103,647 -0.106,648 0.133,649 -0.163,650 -0.028,651 -0.03,652 0.036,653 -0.019,654 -0.055,655 0.012,656 0.15,657 0.082,658 -0.008,659 0.023,660 0.082,661 -0.025,662 2.576,663 5.709,664 0.469,665 36.977,666 1.022,667 1.132,668 3.594,669 12.917,670 0.649,671 3.555,672 3.912,673 4.127,674 4.344,675 4.595,676 4.71,677 4.883,678 5.024,679 5.106,680 5.17,681 7.274,682 0.636,683 440.5,684 3.555,685 5.118,686 5.958,687 6.847,688 7.716,689 8.608,690 9.488,691 10.383,692 11.27,693 12.167,694 7.1,701 1,702 1,704 1,705 1,708 2,709 7,710 1,714 4,715 1,716 16,723 1,729 1,735 56,737 20,738 2,739 34,741 58,742 22,743 13,744 5,745 7,746 1,748 3,749 4,754 4,755 1,760 1,762 15,763 7,767 4,769 1,772 4,776 2,780 1,783 24,784 8,785 2,786 10,789 1,792 4,796 0.667,797 6,798 1,814 1,815 2,818 1,831 1,840 1,842 2,846 3,850 32,855 1,856 3,858 1,859 1,863 1,872 10.7,873 1,875 2,877 1,878 2,879 18.083,880 10.967,881 6.972,882 3.246,884 3.297,885 1.431,886 0.913,887 7.043,888 10.948,889 3.85,890 4.474,891 5.023,892 5.594,893 6.145,894 6.5,895 6.939,896 7.299,897 7.481,898 7.791,899 0.875,900 50,901 11.883,903 5.134,904 8.19,905 21.69,907 17.382,909 2.69,910 86.083,913 1,914 258.964,915 126.719,916 42.365,918 154.72,921 126.719,922 413.684,923 42.365,924 32.146,925 22.651,926 109.017,927 78.971,928 28.128,929 2.144,930 258.964,931 50.747,932 258.964,933 169.084,934 154.72,937 235.422,938 84.832,939 93.43,941 55.069,942 91.56,943 22.456,945 258.964,946 197.085,947 126.719,950 258.964,951 33.909,952 100.378,953 18.011,954 171.506,955 258.964,956 197.085,957 126.719,959 0.591,960 0.332,961 0.16,962 0.095,963 22,964 12,965 0.155,966 9,967 1,968 1.133,969 4.117,970 285.889,971 0.133,972 15,973 153.245,979 23.544,980 9.572,981 5.583,982 1.153,983 189.516,984 10.319,985 4.443,989 0.446,990 1.718,991 60.694,992 582.768,993 46,995 -0.576,998 46.873,1002 -0.954,1005 57.207,1006 63.402,1007 0.288,1008 0.672,1009 0.813,1010 0.873,1011 0.873,1012 0.873,1013 5.106,1014 1.538,1015 5.999,1016 5.319,1017 4.595,1018 5.162,1019 3.198,1020 6.853,1021 4.527,1022 6.354,1023 1.452,1024 7.601,1025 3.782,1026 4.443,1027 5.198,1028 2.946,1029 8.005,1030 4.362,1031 7.697,1032 1.345,1033 9.312,1034 3.621,1035 6.282,1036 7.422,1037 4.717,1038 11.013,1039 6.153,1040 9.074,1041 1.054,1042 11.085,1043 3.098,1044 6.899,1045 8.232,1046 5.082,1047 12.936,1048 6.762,1049 10.481,1050 1,1051 12.897,1052 2.556,1053 8.294,1054 10.005,1055 6.44,1056 15.531,1057 8.118,1058 11.909,1059 0.837,1060 14.735,1061 2.321,1062 9.228,1063 11.166,1064 7.069,1065 17.751,1066 9.042,1067 13.353,1068 0.229,1069 16.593,1070 1.903,1071 10.469,1072 12.767,1073 8.237,1074 20.218,1075 10.254,1076 3.296,1077 -0.19,1078 18.465,1079 0.421,1080 11.537,1081 14.101,1082 9.001,1083 22.556,1084 11.307,1085 3.209,1086 11.371,1087 20.348,1088 -0.523,1089 12.725,1090 15.636,1091 10.071,1092 24.985,1093 12.472,1094 2.898,1095 11.118,1096 22.241,1097 4.595,1098 13.85,1099 17.056,1100 10.91,1101 27.37,1102 13.581,1103 2.571,1104 9.01,1105 24.141,1106 4.015,1107 15.022,1108 18.569,1109 11.925,1110 29.79,1111 14.733,1112 2.441,1113 7.868,1114 26.047,1115 3.555,1116 16.173,1117 20.033,1118 12.807,1119 32.194,1120 15.867,1121 1.977,1122 7.483,1123 27.958,1124 3.44,1125 17.343,1126 21.54,1127 13.793,1128 34.612,1129 17.02,1130 1.823,1131 6.321,1132 29.874,1133 3.245,1134 18.506,1135 23.029,1136 14.701,1137 37.025,1138 18.167,1139 12946,1140 23852,1141 21.383,1142 36.364,1143 52.031,1144 54.922,1145 53.484,1146 51.322,1147 51.342,1148 68.123,1149 12.799,1150 152.385,1151 49.651,1152 5.503,1153 6.017,1154 6.917,1155 5.362,1156 5.296,1157 7.595,1158 4.612,1159 18.499,1160 5.274,1161 21.712,1162 1.53,1163 1.615,1164 1.573,1165 1.509,1166 1.51,1167 2.004,1168 0.376,1169 4.482,1170 1.46,1171 4.134,1172 4.175,1173 4.107,1174 3.998,1175 7.815,1176 4.019,1177 3.984,1178 4.008,1179 3.951,1180 3.866,1181 7.433,1182 3.875,1183 3.781,1184 3.82,1185 3.691,1186 3.637,1187 7.428,1188 3.638,1189 3.611,1190 3.664,1191 3.544,1192 3.45,1193 6.999,1194 3.449,1195 3.551,1196 3.577,1197 3.46,1198 3.232,1199 6.456,1200 3.28,1201 3.386,1202 3.43,1203 3.293,1204 3.077,1205 5.033,1206 3.142,1207 3.18,1208 3.209,1209 3.109,1210 2.919,1211 4.663,1212 2.962,1213 2.979,1214 3.019,1215 2.878,1216 2.795,1217 4.534,1218 2.798,1219 0.137,1220 0.118,1221 0.208,1222 0.126,1223 0.097,1224 4.646,1225 0.135,1226 4.017,1227 0.077,1228 7.058,1229 0.334,1230 4.29,1231 0.096,1232 3.296,1233 4.595,1234 2.612,1235 11.371,1236 3.274,1237 1.929,1238 1.906,1239 2.019,1240 2.09,1241 1.243,1242 2.054,1243 1.919,1244 1.897,1245 2.01,1246 2.041,1247 1.173,1248 2.031,1249 1.745,1250 1.7,1251 1.967,1252 1.922,1253 1.094,1254 1.933,1255 1.646,1256 1.585,1257 1.858,1258 1.853,1259 1.055,1260 1.851,1261 1.381,1262 1.332,1263 1.511,1264 1.723,1265 0.611,1266 1.651,1267 1.205,1268 1.17,1269 1.417,1270 1.587,1271 0.469,1272 1.524,1273 1.051,1274 1.013,1275 1.417,1276 1.349,1277 0.469,1278 1.317,1279 0.969,1280 0.937,1281 1.312,1282 1.239,1283 0.345,1284 1.308,1285 4.234,1287 5.58,1288 2.398,1289 7.102,1290 4.844,1291 8.705,1292 7.034,1293 10.351,1295 5.247,1300 9.248,1301 0.74,1303 2.677,1304 5.424,1308 -0.674,1312 35.642,1313 93.556,1314 218.551,1315 264.276,1316 283.928,1317 283.928,1318 283.928,1319 97.292,1320 7.652,1321 139.27,1322 139.27,1323 17,1324 12.694,1325 4.392,1326 3.7,1327 60.984,1328 136,1329 128,1330 0.216,1331 221.502,1332 389.72,1333 532.226,1334 21201,1336 23.466,1337 0.733,1338 0.562,1339 23.466,1340 17.993,1341 15.096,1342 0.444,1343 0.294,1344 9.813,1345 14.296,1346 9.505,1347 7.947,1348 15.096,1349 9.992,1350 14.551,1351 0.297,1352 0.168,1353 14.551,1354 8.216,1355 11.144,1356 0.183,1357 0.076,1358 11.144,1359 4.627,1360 8.42,1361 0.111,1362 0.038,1363 8.42,1364 2.918,1365 7.069,1366 0.072,1367 0.021,1368 7.069,1369 2.027,1370 0.338,1371 96.504,1372 0.216,1373 29.842,1374 0.595,1375 166,1376 598.096,1377 189.384,1378 563.254,1379 742.66,1380 518,1381 193,1382 539.017,1383 216.308,1384 535.347,1385 777.6,1386 499,1387 5.9} {0 CHEMBL1240703,1 1.529,2 10.955,3 4.94,4 24.402,5 162.643,6 7.928,7 0.577,8 4.452,9 4.549,10 4.09,11 4.028,12 5.543,13 4.027,14 5.039,15 5.174,16 4.574,17 4.499,18 6.116,19 4.496,20 5.354,21 5.503,22 4.807,23 4.747,24 6.415,25 4.739,26 5.555,27 5.708,28 4.955,29 4.916,30 6.651,31 4.899,32 5.712,33 5.88,34 5.019,35 5.024,36 6.785,37 4.991,38 5.807,39 5.998,40 5.004,41 5.077,42 6.861,43 5.016,44 5.835,45 6.046,46 4.881,47 5.022,48 6.889,49 4.938,50 5.703,51 5.922,52 4.64,53 4.855,54 6.751,55 4.751,56 0.074,57 1.064,58 13.58,59 6.747,60 16.837,61 7.968,62 0.531,63 1.884,64 28.133,65 11.685,66 41.046,67 14.14,68 0.695,69 2.532,70 40.329,71 16.193,72 56.058,73 19.403,74 0.778,75 3.064,76 49.956,77 20.238,78 96.563,79 24.274,80 1.043,81 3.566,82 60.228,83 23.585,84 96.073,85 28.642,86 1.038,87 3.852,88 68.795,89 27.353,90 109.954,91 34.694,92 1.207,93 3.83,94 75.265,95 28.908,96 156.498,97 36.875,98 1.098,99 3.326,100 67.314,101 25.466,102 138.141,103 32.452,104 38,105 83,106 0.231,107 0.568,108 0.737,109 0.827,110 0.863,111 0.879,112 3.812,113 0.859,114 -4.59,115 -4.51,116 -4.24,119 47.3,120 1,121 1,124 2,127 2,128 2,131 1,142 13,143 7,152 4,158 2,172 19,174 3,175 14,178 1,179 1,180 3,183 20,187 4,188 16,193 4,196 16,199 3,200 22,203 1,205 4,208 18,212 3,213 18,216 3,218 4,221 21,224 4,225 25,228 1,230 7,233 21,238 1,239 22,242 2,244 8,247 15,253 19,256 2,258 2,261 18,265 2,266 10,269 2,274 23,278 3014,279 30.299,280 30.299,281 30.299,282 30.299,283 30.299,284 26.829,285 30.107,286 17.014,287 30.897,288 25.625,289 25.625,290 25.625,291 25.625,292 25.625,293 20.015,294 42.947,295 7.961,296 26.559,297 4.68,298 2.443,299 1.325,300 0.729,301 0.49,302 0.382,303 4.548,308 1,309 1118,310 4.359,313 121.185,314 299.889,315 49.544,317 439.111,318 146.694,319 82.085,320 664.026,321 1.508,322 52.322,325 0.75,326 0.5,327 0.83,328 0.7,329 0.5,330 0.83,331 1,332 0.73,333 95,334 482,335 5.138,336 4.043,337 8.024,338 4.739,339 3.793,340 5.289,341 1.336,342 15.536,343 3.613,344 4.75,345 3.795,346 7.474,347 4.443,348 3.479,349 4.71,350 1.2,351 13.722,352 3.327,353 4.543,354 3.694,355 7.021,356 4.175,357 3.21,358 3.989,359 1.157,360 12.03,361 3.099,362 4.285,363 3.386,364 6.766,365 3.998,366 3.028,367 3.729,368 0.947,369 10.942,370 2.937,371 4.182,372 3.266,373 6.561,374 3.864,375 2.885,376 3.608,377 0.86,378 10.12,379 2.819,380 3.862,381 2.917,382 6.172,383 3.482,384 2.514,385 3.419,386 0.297,387 8.82,388 2.422,389 3.744,390 2.719,391 6.05,392 3.376,393 2.404,394 3.089,395 0.293,396 8.417,397 2.342,398 3.578,399 2.675,400 5.919,401 3.265,402 2.314,403 2.882,405 7.954,406 2.182,407 3.524,408 2.377,409 5.707,410 3.125,411 2.134,412 2.818,414 7.212,415 2.106,416 3.291,417 2.209,418 5.427,419 2.877,420 1.915,421 2.546,423 6.136,424 1.842,425 3.083,426 2.086,427 5.061,428 2.697,429 1.736,430 2.21,432 5.186,433 1.668,434 2.996,435 2.041,436 5.018,437 2.633,438 1.648,439 2.113,441 4.93,442 1.604,443 2.91,444 1.899,445 4.776,446 2.534,447 1.575,448 2.082,450 4.553,451 1.499,452 2.86,453 1.524,454 4.615,455 2.389,456 1.401,457 1.962,459 4.114,460 1.383,461 2.712,462 1.486,463 4.108,464 2.301,465 1.336,466 1.774,468 3.097,469 1.287,470 20.767,471 0.472,472 1.342,473 0.03,474 57.5,475 1.307,476 27,477 0.614,478 30.5,479 0.693,480 50.138,481 1.139,482 45.233,483 0.611,484 57.233,485 1.301,486 11.281,487 0.256,488 10.065,489 0.229,490 0.12,491 0.024,492 0.467,497 0.8,498 1.228,499 0.703,500 0.984,501 0.679,502 0.851,503 0.92,504 1.003,505 0.763,506 0.809,507 0.639,508 0.763,509 1.094,510 1.016,511 0.854,512 0.881,513 0.811,514 0.827,515 1.13,516 1.095,517 0.913,518 0.977,519 0.963,520 0.916,521 1.141,522 1.061,523 1.027,524 1.018,525 0.93,526 0.999,527 0.947,528 1.098,529 1.016,530 1.09,531 0.812,532 1.067,533 1.053,534 1.048,535 1.077,536 1.081,537 1.089,538 1.084,539 1.134,540 1.021,541 1.179,542 1.101,543 1.141,544 1.141,545 7,546 0.268,547 5.778,548 5.972,549 4.638,550 3.362,551 2.694,552 1.621,553 0.966,554 0.552,555 27782,556 69378,557 2.223,558 40.5,560 21,561 2,563 2,566 3,567 2,568 1.835,569 2.054,570 3.332,571 0.081,578 113.158,579 1.529,580 3.766,581 4.885,582 5.481,583 5.719,584 5.827,585 2.771,586 5.187,587 5.428,588 3.497,589 3308.49,590 9.693,591 52353.2,596 459.5,597 1.563,598 5.382,599 0.135,600 0.006,601 0.07,602 0.058,603 0.039,604 0.027,605 0.023,606 0.016,607 0.012,608 0.009,609 0.395,610 0.33,611 0.75,612 0.64,613 241.215,614 -0.054,615 -0.131,616 0.066,617 -0.014,618 -0.093,619 0.035,620 0.06,621 0.096,622 0.103,623 0.139,624 0.01,625 0.126,626 -0.019,627 0.056,628 0.052,629 0.071,630 -0.024,631 0.076,632 -0.047,633 -0.046,634 0.007,635 -0.017,636 0.004,637 -0.001,638 -0.047,639 -0.014,640 -0.084,641 -0.063,642 -0.031,643 -0.076,644 0.014,645 -0.092,646 -0.053,647 -0.112,648 0.027,649 -0.097,650 -0.022,651 -0.086,652 -0.063,653 -0.089,654 -0.017,655 -0.083,656 -0.085,657 -0.069,658 -0.15,659 -0.107,660 -0.078,661 -0.133,662 2.486,663 6.891,664 0.795,665 42.955,666 1.007,667 1.114,668 3.358,669 11.275,670 0.692,671 3.97,672 4.431,673 4.898,674 5.371,675 5.79,676 6.161,677 6.562,678 6.93,679 7.229,680 7.519,681 6.401,682 0.669,683 586.69,684 3.97,685 5.602,686 6.555,687 7.535,688 8.515,689 9.51,690 10.503,691 11.505,692 12.505,693 13.512,694 5.4,701 2,702 2,708 8,709 13,714 3,715 2,716 30,723 1,724 1,735 74,737 32,738 4,739 52,741 82,742 35,743 24,744 11,745 13,746 2,748 9,749 81,754 1,757 4,760 4,762 26,763 9,767 2,772 2,776 2,783 30,784 7,785 2,786 9,792 4,796 0.222,797 5,810 2,814 3,815 5,816 1,818 6,819 2,820 1,821 7,840 1,841 2,842 2,846 3,850 44,855 1,856 1,858 1,859 2,861 4,862 1,863 1,872 6.8,873 1,875 2,876 2,879 21.417,880 14.383,881 9.208,882 4.471,884 6.054,885 1.54,886 1.044,887 5.397,888 17.257,889 4.248,890 4.98,891 5.766,892 6.568,893 7.324,894 7.988,895 8.698,896 9.367,897 9.927,898 10.491,899 0.75,900 103,901 16.539,903 7.798,904 7.71,905 31.545,907 28.583,909 2.21,910 97.25,914 329.591,915 191.665,916 24.933,918 114.973,921 191.665,922 444.564,923 24.933,924 28.105,925 23.67,926 165.875,927 81.699,928 23.647,929 32.119,930 306.049,932 329.591,933 216.598,934 114.973,937 294.278,938 85.603,939 64.683,941 36.293,942 180.305,945 329.591,946 139.906,947 191.665,950 329.591,951 40.369,952 158.218,953 18.011,954 114.973,955 329.591,956 139.906,957 191.665,959 0.604,960 0.388,961 0.239,962 0.143,963 50,964 22,965 0.037,966 3,967 10,968 1.486,969 4.64,970 598.099,971 0.571,972 32,973 236.215,979 26.371,980 9.005,981 3.203,982 6.983,983 136.108,984 25.332,989 1.68,990 4.387,991 60.694,992 661.162,993 69,998 27.482,1002 -0.393,1005 74.531,1006 82.438,1007 0.246,1008 0.606,1009 0.787,1010 0.883,1011 0.921,1012 0.938,1013 5.57,1014 2.314,1015 6.611,1016 8.417,1017 5.118,1018 5.67,1019 2.554,1020 7.626,1021 5.047,1022 6.839,1023 2.134,1024 8.293,1025 7.954,1026 4.977,1027 5.732,1028 1.025,1029 8.967,1030 4.855,1031 8.217,1032 1.915,1033 10.083,1034 7.212,1035 6.919,1036 8.064,1037 2.709,1038 12.207,1039 6.77,1040 9.637,1041 1.736,1042 11.94,1043 6.136,1044 7.621,1045 9.005,1046 1.63,1047 14.394,1048 7.413,1049 11.096,1050 1.648,1051 13.838,1052 5.186,1053 9.086,1054 10.856,1055 2.976,1056 17.219,1057 8.848,1058 12.583,1059 1.575,1060 15.767,1061 4.93,1062 10.139,1063 12.193,1064 2.195,1065 19.729,1066 9.842,1067 14.093,1068 1.401,1069 17.719,1070 4.553,1071 11.46,1072 13.884,1073 3.306,1074 22.45,1075 11.124,1076 3.793,1077 1.336,1078 19.689,1079 4.114,1080 12.654,1081 15.397,1082 2.759,1083 25.084,1084 12.263,1085 3.479,1086 15.536,1087 21.673,1088 3.097,1089 13.941,1090 17.042,1091 3.684,1092 27.788,1093 13.504,1094 3.21,1095 13.722,1096 23.669,1097 5.289,1098 15.193,1099 18.63,1100 3.324,1101 30.47,1102 14.703,1103 3.028,1104 12.03,1105 25.676,1106 4.71,1107 16.478,1108 20.267,1109 4.1,1110 33.178,1111 15.94,1112 2.885,1113 10.942,1114 27.692,1115 3.989,1116 17.756,1117 21.888,1118 3.89,1119 35.883,1120 17.166,1121 2.514,1122 10.12,1123 29.715,1124 3.729,1125 19.048,1126 23.529,1127 4.548,1128 38.599,1129 18.408,1130 2.404,1131 8.82,1132 31.745,1133 3.608,1134 20.341,1135 25.166,1136 4.456,1137 41.316,1138 19.65,1139 24898,1140 39485,1141 35.142,1142 51.193,1143 83.801,1144 85.386,1145 87.152,1146 82.891,1147 82.794,1148 108.604,1149 12.18,1150 274.369,1151 79.924,1152 6.138,1153 6.043,1154 7.826,1155 5.871,1156 5.793,1157 8.289,1158 2.493,1159 24.424,1160 5.613,1161 21.159,1162 1.612,1163 1.642,1164 1.676,1165 1.594,1166 1.592,1167 2.089,1168 0.234,1169 5.276,1170 1.537,1171 4.368,1172 4.39,1173 4.353,1174 4.286,1175 7.431,1176 4.3,1177 4.019,1178 4.046,1179 3.986,1180 3.953,1181 7.426,1182 3.957,1183 3.943,1184 3.972,1185 3.885,1186 3.858,1187 6.452,1188 3.858,1189 3.831,1190 3.86,1191 3.769,1192 3.686,1193 5.087,1194 3.701,1195 3.731,1196 3.763,1197 3.666,1198 3.622,1199 4.811,1200 3.626,1201 3.511,1202 3.564,1203 3.432,1204 3.322,1205 4.73,1206 3.346,1207 3.413,1208 3.468,1209 3.311,1210 3.234,1211 4.685,1212 3.241,1213 3.321,1214 3.376,1215 3.228,1216 3.132,1217 4.462,1218 3.151,1219 0.099,1220 0.078,1221 0.154,1222 0.091,1223 0.073,1224 5.138,1225 0.102,1226 4.043,1227 0.026,1228 8.024,1229 0.299,1230 4.739,1231 0.069,1232 3.793,1233 5.289,1234 1.336,1235 15.536,1236 3.613,1237 2.034,1238 2.027,1239 2.077,1240 2.095,1241 1.377,1242 2.081,1243 1.958,1244 1.932,1245 2.057,1246 2.068,1247 1.342,1248 2.068,1249 1.907,1250 1.882,1251 2.019,1252 2.019,1253 1.166,1254 2.005,1255 1.888,1256 1.856,1257 1.951,1258 1.999,1259 1.14,1260 2.003,1261 1.78,1262 1.746,1263 1.934,1264 1.918,1265 1.072,1266 1.927,1267 1.41,1268 1.353,1269 1.667,1270 1.674,1271 0.827,1272 1.658,1273 1.367,1274 1.322,1275 1.583,1276 1.649,1277 0.735,1278 1.62,1279 1.314,1280 1.27,1281 1.572,1282 1.55,1283 0.618,1284 1.553,1285 4.654,1287 6.08,1288 3.434,1289 7.717,1290 6.043,1291 9.456,1292 8.367,1293 11.253,1295 5.532,1300 11.331,1301 0.465,1303 2.778,1304 13.514,1306 -2.558,1307 1.788,1308 -1.072,1312 49.508,1313 113.158,1314 278.685,1315 361.478,1316 405.583,1317 423.235,1318 431.235,1319 85.004,1320 11.203,1321 97.96,1322 97.96,1323 52,1324 13.968,1325 5.044,1326 4.17,1327 51.439,1328 177,1329 213,1330 0.153,1331 286.137,1332 488.41,1333 689.934,1334 1325540,1336 30.068,1337 0.683,1338 0.556,1339 30.068,1340 24.444,1341 21.346,1342 0.411,1343 0.286,1344 14.672,1345 20.565,1346 14.327,1347 11.69,1348 21.346,1349 14.887,1350 20.482,1351 0.247,1352 0.147,1353 20.482,1354 12.22,1355 19.562,1356 0.147,1357 0.076,1358 19.562,1359 10.086,1360 18.819,1361 0.088,1362 0.039,1363 18.819,1364 8.371,1365 17.062,1366 0.052,1367 0.02,1368 17.062,1369 6.5,1370 0.227,1371 133.695,1372 0.169,1373 36.54,1374 0.473,1375 270,1376 712.36,1377 295.578,1378 681.976,1379 969.17,1380 644,1381 351,1382 747.433,1383 379.853,1384 753.841,1385 1156.83,1386 715,1387 5} {0 CHEMBL1241473,1 1.779,2 11.25,3 3.059,4 9.357,5 115.249,6 8.47,7 0.529,8 4.084,9 4.19,10 3.734,11 3.498,12 5.398,13 3.546,14 4.547,15 4.689,16 4.064,17 3.826,18 5.937,19 3.87,20 4.678,21 4.809,22 4.205,23 3.963,24 5.996,25 4.007,26 4.839,27 4.992,28 4.262,29 4.013,30 6.268,31 4.039,32 4.934,33 5.12,34 4.119,35 4.037,36 6.146,37 4.038,38 4.878,39 5.073,40 4.119,41 4.012,42 6.146,43 3.994,44 4.902,45 5.137,46 4.111,47 3.925,48 6.16,49 3.929,50 4.767,51 4.97,52 4.039,53 3.76,54 6.356,55 3.802,56 0.3,57 0.783,58 8.609,59 3.93,60 12.204,61 4.603,62 0.743,63 1.114,64 17.595,65 6.449,66 77.135,67 7.545,68 0.742,69 1.323,70 17.95,71 6.897,72 44.933,73 8.235,74 1.037,75 1.432,76 22.95,77 7.948,78 74.64,79 10.123,80 1.185,81 1.467,82 29.422,83 8.507,84 99.906,85 10.538,86 1.018,87 1.448,88 26.585,89 8.392,90 69.077,91 11.44,92 0.992,93 1.38,94 31.109,95 8.375,96 86.313,97 12.364,98 1.219,99 1.172,100 26.029,101 6.202,102 152.081,103 8.399,104 75,105 47,106 0.294,107 0.635,108 0.735,109 0.793,110 0.808,111 0.834,112 3.502,113 0.805,114 -2.48,115 -2.5,116 -2.45,119 38.5,124 3,142 6,143 1,144 6,145 1,147 1,150 1,158 1,163 1,164 1,165 1,166 2,172 4,174 2,175 3,177 1,178 4,180 5,183 5,185 1,187 4,188 3,191 1,193 3,196 2,198 1,199 5,200 10,203 6,204 2,205 3,207 1,210 2,213 5,216 2,218 1,223 1,224 5,225 9,227 1,228 3,230 4,238 3,239 9,241 1,242 1,244 2,252 3,253 7,255 3,256 6,257 1,258 1,260 1,261 4,265 2,269 1,274 4,278 1728,279 21.472,280 21.472,281 21.472,282 21.472,283 21.472,284 18.824,285 34.859,286 12.488,287 22.246,288 16.571,289 16.571,290 16.571,291 16.571,292 16.571,293 12.402,294 58.25,295 5.596,296 17.552,297 3.921,298 1.86,299 1.261,300 0.909,301 0.818,302 0.659,303 4.181,307 1,308 1,309 744,310 3.937,314 337.437,321 1.672,322 46.691,325 0.75,326 0.83,327 0.67,328 0.5,330 0.67,331 0.5,332 0.56,333 73,334 360,335 4.457,336 3.805,337 6.524,338 4.036,339 3.083,340 4.164,341 2.612,342 10.266,343 2.973,344 4.415,345 3.537,346 6.492,347 4.002,348 3.048,349 4.099,350 0.98,351 10.114,352 2.887,353 4.285,354 3.375,355 6.344,356 3.865,357 2.887,358 3.91,359 0.86,360 9.518,361 2.798,362 3.835,363 2.921,364 5.543,365 3.397,366 2.472,367 3.294,368 0.86,369 7.516,370 2.283,371 3.517,372 2.696,373 5.19,374 3.043,375 2.078,376 2.843,377 0.86,378 6.118,379 2.007,380 3.374,381 2.555,382 5.118,383 2.972,384 2.061,385 2.614,386 0.4,387 6.069,388 1.896,389 3.355,390 2.418,391 4.963,392 2.945,393 1.98,394 2.604,395 0.4,396 5.595,397 1.867,398 3.179,399 2.073,400 4.617,401 2.67,402 1.705,403 2.416,405 4.478,406 1.637,407 2.873,408 1.878,409 3.787,410 2.364,411 1.381,412 2.015,414 3.112,415 1.355,416 2.696,417 1.592,418 3.736,419 2.101,420 1.17,421 1.758,423 2.738,424 1.089,425 2.532,426 1.342,427 3.673,428 2.016,429 1.116,430 1.475,432 2.373,433 1.01,434 2.199,435 1.283,436 3.466,437 1.96,438 1,439 1.184,441 2.304,442 0.932,443 1.576,444 1.019,445 2.952,446 1.27,447 0.396,448 0.452,450 0.603,451 0.342,452 1.507,453 1,454 2.935,455 1.201,456 0.354,457 0.38,459 0.521,460 0.297,461 1.424,462 0.916,463 2.859,464 1.084,465 0.146,466 0.186,468 0.349,469 0.137,470 14.4,471 0.45,472 0.801,473 0.025,474 46.75,475 1.461,476 25,477 0.781,478 21.75,479 0.68,480 22.687,481 0.709,482 35.4,483 0.681,484 41.336,485 1.292,486 9.847,487 0.308,488 5.524,489 0.173,490 0.201,492 0.375,497 0.767,498 1.371,499 0.693,500 1.134,501 0.644,502 0.923,503 0.994,504 0.948,505 0.735,506 0.826,507 0.536,508 0.735,509 0.882,510 1.31,511 0.839,512 1.143,513 0.778,514 1,515 0.765,516 1.196,517 0.923,518 1.185,519 0.782,520 1.127,521 1.339,522 1.019,523 1.193,524 0.909,525 1.036,526 0.985,527 0.795,528 1.135,529 1.006,530 1.087,531 0.685,532 1.108,533 0.815,534 1.072,535 0.737,536 0.929,537 0.957,538 0.818,539 1.068,540 0.757,541 0.994,542 0.744,543 1.112,544 0.798,545 7,546 0.293,547 3.556,548 2.938,549 2,550 1.41,551 0.772,552 0.705,553 0.385,554 0.332,555 12596,556 45694,557 1.976,558 38.5,560 15,562 1,563 4,568 1.749,569 1.811,570 3.455,571 1.694,573 1,578 92.526,579 1.779,580 3.841,581 4.44,582 4.791,583 4.883,584 5.042,585 2.854,586 4.078,587 4.974,588 3.651,589 1810.85,590 8.724,591 26520.7,593 1,595 1,596 296.423,597 1.531,598 4.907,599 0.206,600 0.009,601 0.076,602 0.055,603 0.038,604 0.03,605 0.017,606 0.015,607 0.009,608 0.011,609 0.466,610 0.17,611 0.88,612 1.054,613 167.329,614 -0.021,615 -0.127,616 0.034,617 -0.065,618 -0.089,619 -0.007,620 -0.023,621 0.139,622 0.141,623 0.204,624 0.163,625 0.209,626 -0.008,627 -0.152,628 -0.021,629 -0.125,630 -0.059,631 -0.085,632 0.177,633 -0.099,634 -0.037,635 -0.208,636 0.101,637 -0.209,638 -0.308,639 -0.025,640 -0.218,641 0.053,642 -0.204,643 -0.034,644 0.043,645 -0.098,646 -0.067,647 -0.111,648 0.03,649 -0.13,650 0.037,651 -0.132,652 0.303,653 0.02,654 0.025,655 0.209,656 0.044,657 0.237,658 0.038,659 0.127,660 0.252,661 0.105,662 2.64,663 4.681,664 0.563,665 31.25,666 1.034,667 1.138,668 1.246,669 1.552,670 0.656,671 3.555,672 3.871,673 4.143,674 4.394,675 4.575,676 4.644,677 4.736,678 4.82,679 4.868,680 5.037,681 6.994,682 0.656,683 440.46,684 3.555,685 5.094,686 5.943,687 6.823,688 7.689,689 8.574,690 9.444,691 10.33,692 11.202,693 12.089,694 11.5,701 1,702 2,704 2,705 1,709 7,710 2,714 9,716 18,722 1,728 2,729 1,733 3,735 52,737 21,738 2,739 34,741 54,742 20,743 16,744 6,745 6,746 1,748 3,749 3,762 17,763 3,767 3,769 1,772 3,776 1,780 1,783 20,784 11,785 4,786 12,792 6,796 1,797 6,809 1,815 3,842 3,846 3,850 32,851 1,858 2,859 3,872 11.5,875 1,877 3,878 2,879 17.667,880 10.267,881 7.333,882 2.563,884 3.487,885 1.462,886 0.947,887 7.426,888 11.04,889 3.85,890 4.46,891 5.012,892 5.57,893 6.067,894 6.313,895 6.628,896 6.977,897 7.323,898 7.791,899 1,900 53,901 11.749,903 4.935,904 8.161,905 21.181,907 16.182,909 2.661,910 85.167,913 1,914 188.338,915 134.672,916 108.16,918 108.892,921 134.672,922 297.229,923 108.16,924 38.319,925 32.897,926 56.857,927 75.192,928 105.255,929 4.227,930 176.567,931 50.747,932 188.338,933 242.832,934 108.892,937 188.338,938 58.145,939 50.747,941 79.865,942 123.725,943 39.241,945 188.338,946 217.051,947 134.672,950 188.338,951 36.118,952 104.224,953 36.022,954 175.36,955 188.338,956 217.051,957 134.672,959 0.574,960 0.35,961 0.196,962 0.101,963 20,964 11,965 0.167,966 9,968 1,969 4.082,970 287.828,972 18,973 150,979 23.214,980 10.236,981 5.252,983 211.381,984 10.616,985 8.199,989 1.611,991 68.919,992 540.061,993 46,995 -0.64,998 34.61,1002 -0.694,1005 53.76,1006 59.153,1007 0.312,1008 0.674,1009 0.779,1010 0.84,1011 0.857,1012 0.884,1013 5.078,1014 1.705,1015 5.938,1016 5.595,1017 4.554,1018 5.147,1019 2.955,1020 6.763,1021 4.449,1022 6.302,1023 1.381,1024 7.512,1025 4.478,1026 4.205,1027 5.066,1028 2.361,1029 7.716,1030 4.073,1031 7.624,1032 1.17,1033 9.184,1034 3.112,1035 6.163,1036 7.37,1037 4.233,1038 10.793,1039 5.97,1040 8.982,1041 1.116,1042 10.914,1043 2.738,1044 6.608,1045 8.058,1046 4.506,1047 12.536,1048 6.381,1049 10.367,1050 1,1051 12.679,1052 2.373,1053 8.053,1054 9.868,1055 5.959,1056 15.131,1057 7.78,1058 11.772,1059 0.396,1060 14.467,1061 2.304,1062 8.858,1063 10.911,1064 6.556,1065 17.199,1066 8.546,1067 13.193,1068 0.354,1069 16.273,1070 0.603,1071 10.1,1072 12.515,1073 7.796,1074 19.62,1075 9.75,1076 3.083,1077 0.146,1078 18.091,1079 0.521,1080 11.071,1081 13.733,1082 8.548,1083 21.826,1084 10.68,1085 3.048,1086 10.266,1087 19.919,1088 0.349,1089 12.231,1090 15.241,1091 9.67,1092 24.181,1093 11.802,1094 2.887,1095 10.114,1096 21.755,1097 4.164,1098 13.278,1099 16.549,1100 10.509,1101 26.446,1102 12.807,1103 2.472,1104 9.518,1105 23.596,1106 4.099,1107 14.405,1108 18.009,1109 11.563,1110 28.774,1111 13.897,1112 2.078,1113 7.516,1114 25.442,1115 3.91,1116 15.486,1117 19.365,1118 12.452,1119 31.065,1120 14.935,1121 2.061,1122 6.118,1123 27.292,1124 3.294,1125 16.602,1126 20.801,1127 13.468,1128 33.384,1129 16.012,1130 1.98,1131 6.069,1132 29.145,1133 2.843,1134 17.699,1135 22.181,1136 14.386,1137 35.686,1138 17.067,1139 12588,1140 24162,1141 21.789,1142 34.091,1143 49.855,1144 52.579,1145 53.456,1146 49.625,1147 49.808,1148 66.856,1149 13.944,1150 143.477,1151 47.071,1152 5.265,1153 5.805,1154 6.206,1155 5.11,1156 5.083,1157 7.164,1158 4.612,1159 17.186,1160 4.973,1161 20.135,1162 1.466,1163 1.546,1164 1.572,1165 1.46,1166 1.465,1167 1.966,1168 0.41,1169 4.22,1170 1.384,1171 4.026,1172 4.063,1173 4,1174 3.889,1175 7.815,1176 3.904,1177 3.919,1178 3.936,1179 3.882,1180 3.824,1181 7.437,1182 3.835,1183 3.86,1184 3.884,1185 3.828,1186 3.66,1187 6.999,1188 3.7,1189 3.462,1190 3.503,1191 3.447,1192 3.081,1193 5.033,1194 3.13,1195 3.338,1196 3.391,1197 3.259,1198 3.061,1199 4.928,1200 3.116,1201 3.303,1202 3.355,1203 3.144,1204 3.006,1205 4.894,1206 3.026,1207 3.249,1208 3.311,1209 3.118,1210 2.906,1211 4.679,1212 2.956,1213 3.191,1214 3.269,1215 2.976,1216 2.868,1217 4.58,1218 2.889,1219 0.131,1220 0.112,1221 0.192,1222 0.119,1223 0.091,1224 4.457,1225 0.122,1226 3.805,1227 0.077,1228 6.524,1229 0.302,1230 4.036,1231 0.087,1232 3.083,1233 4.164,1234 2.612,1235 10.266,1236 2.973,1237 1.925,1238 1.898,1239 2.014,1240 2.103,1241 1.099,1242 2.056,1243 1.875,1244 1.86,1245 1.949,1246 2,1247 1.067,1248 1.987,1249 1.746,1250 1.711,1251 1.799,1252 1.962,1253 0.805,1254 1.919,1255 1.236,1256 1.179,1257 1.59,1258 1.647,1259 0.584,1260 1.565,1261 1.227,1262 1.171,1263 1.573,1264 1.558,1265 0.575,1266 1.563,1267 1.214,1268 1.163,1269 1.544,1270 1.536,1271 0.563,1272 1.522,1273 1.164,1274 1.079,1275 1.404,1276 1.512,1277 0.261,1278 1.501,1279 1.076,1280 1.017,1281 1.194,1282 1.449,1283 0.229,1284 1.434,1285 4.234,1287 5.549,1289 7.067,1291 8.681,1293 10.343,1295 4.429,1299 5.385,1303 5.733,1304 15.919,1312 34.105,1313 92.526,1314 199.713,1315 230.874,1316 249.139,1317 253.894,1318 262.158,1319 78.169,1320 7.553,1321 166.44,1322 166.44,1323 18,1324 12.623,1325 4.459,1326 3.7,1327 60.943,1328 136,1329 122,1330 0.22,1331 212.979,1332 374.48,1333 511.429,1334 19192,1336 23.25,1337 0.727,1338 0.544,1339 23.25,1340 17.41,1341 15.371,1342 0.452,1343 0.268,1344 8.861,1345 14.312,1346 8.626,1347 7.241,1348 15.371,1349 9.118,1350 13.517,1351 0.288,1352 0.133,1353 13.517,1354 6.258,1355 11.106,1356 0.179,1357 0.07,1358 11.106,1359 4.333,1360 9.499,1361 0.119,1362 0.036,1363 9.499,1364 2.878,1365 7.311,1366 0.076,1367 0.019,1368 7.311,1369 1.848,1370 0.344,1371 100.015,1372 0.214,1373 29.626,1374 0.611,1375 162,1376 645.327,1377 188.157,1378 602.356,1379 799.35,1380 558,1381 190,1382 579.271,1383 216.412,1384 578.943,1385 835.91,1386 536,1387 6.7} {0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,119 41,120 2,127 1,142 4,143 2,144 1,146 1,147 1,148 1,152 2,161 1,163 1,164 1,165 1,166 1,172 3,174 2,175 6,177 1,178 1,180 6,183 4,185 1,187 1,188 3,191 1,193 5,196 4,199 2,200 4,202 3,203 4,205 1,208 4,213 5,216 2,217 2,218 1,220 1,221 2,223 1,225 7,230 5,233 3,235 3,239 5,242 1,244 3,247 2,249 2,253 2,256 1,258 1,261 4,263 1,269 2,270 1,273 1,274 2,278 675,279 15.378,280 15.378,281 15.378,282 15.378,283 15.378,284 13.109,285 11.643,286 8.753,287 15.732,288 12.838,289 12.838,290 12.838,291 12.838,292 12.838,293 9.309,294 8.663,295 4.155,296 13.432,297 3.68,298 1.282,299 0.705,300 0.5,301 0.5,302 0.5,303 3.883,306 1,307 1,308 1,309 405,310 2.739,313 79.825,314 106.169,317 156.45,321 1.18,322 21.386,323 1,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 50,334 185,335 4.771,336 3.382,337 7.042,338 4.309,339 3.347,340 4.748,342 12.1,343 3.22,344 4.463,345 3.022,346 6.332,347 3.962,348 2.989,349 4.406,351 9.716,352 2.907,353 3.836,354 2.672,355 6.055,356 3.501,357 2.546,358 3.272,360 8.473,361 2.426,362 3.744,363 2.507,364 5.668,365 3.321,366 2.369,367 3.18,369 7.328,370 2.252,371 3.449,372 2.19,373 4.963,374 3.001,375 2.053,376 2.816,378 5.799,379 1.939,380 3.037,381 1.815,382 4.818,383 2.681,384 1.741,385 2.303,387 4.817,388 1.633,389 3.02,390 1.535,391 4.427,392 2.519,393 1.535,394 2.158,396 4.303,397 1.51,398 2.891,399 1.421,400 4.369,401 2.346,402 1.412,403 2.066,405 3.836,406 1.315,407 2.468,408 1.019,409 3.854,410 1.967,411 1.015,412 1.454,414 2.718,415 0.964,416 2.109,417 0.819,418 3.482,419 1.728,420 0.777,421 1.003,423 1.991,424 0.737,425 1.944,426 0.536,427 3.159,428 1.432,429 0.468,430 0.683,432 1.177,433 0.449,434 1.061,435 -0.116,436 2.632,437 0.628,438 -0.288,439 -0.366,441 -0.674,442 -0.263,443 0.955,444 -0.167,445 2.421,446 0.521,447 -0.413,448 -0.534,450 -1.055,451 -0.38,452 0.697,453 -0.7,454 2.353,455 0.216,456 -0.728,457 -0.999,459 -2,460 -0.685,461 0.591,462 -0.825,463 2.252,464 0.087,465 -0.876,466 -1,468 -2.119,469 -0.837,470 10.733,471 0.467,472 0.716,473 0.031,474 32.75,475 1.424,476 17,477 0.739,478 15.75,479 0.685,480 16.793,481 0.73,482 24.067,483 0.617,484 22.778,485 0.99,486 6.282,487 0.273,488 4.76,489 0.207,490 0.161,492 0.457,497 1.009,498 1.225,499 0.768,500 0.935,501 1.097,502 0.83,503 0.707,504 1.175,505 0.646,506 0.946,507 0.518,508 0.808,509 1.125,510 1.194,511 0.951,512 0.996,513 0.924,514 0.947,515 0.89,516 0.927,517 0.911,518 0.904,519 0.813,520 0.903,521 0.975,522 0.991,523 1.113,524 1.034,525 0.84,526 1.079,527 1.131,528 1.349,529 1.193,530 1.211,531 1.004,532 1.199,533 1.029,534 0.872,535 1.191,536 0.955,537 0.928,538 1.057,539 0.691,540 0.823,541 0.841,542 0.918,543 0.8,544 0.906,545 5,546 0.012,547 2.889,548 2.333,549 1.932,550 0.674,551 0.671,552 0.317,553 0.24,554 0.119,555 5166,556 14062,557 2.115,558 41,560 5,562 1,563 4,565 6,568 1.663,569 1.944,570 3.012,571 1.865,572 1,573 1,575 1,578 62.621,579 1.606,580 4.003,581 4.58,582 4.785,583 4.785,584 4.785,585 2.442,586 4.263,587 4.496,588 3.132,589 792.445,590 7.772,591 8611.62,592 1,593 1,594 1,595 1,596 206.131,597 1.491,598 4.44,599 0.192,600 0.004,601 0.074,602 0.06,603 0.052,604 0.022,605 0.023,606 0.014,607 0.014,608 0.012,609 0.468,610 0.33,611 1,612 0.832,613 104.624,614 -0.111,615 -0.032,616 0.025,617 0.064,618 -0.225,619 0.065,620 0.103,621 -0.053,622 0.205,623 0.049,624 0.142,625 0.127,626 -0.131,627 -0.114,628 -0.044,629 -0.045,630 -0.067,631 -0.033,632 0.063,633 0.101,634 0.052,635 0.033,636 0.026,637 0.036,638 -0.032,639 0.056,640 -0.18,641 -0.087,642 -0.034,643 -0.147,644 -0.247,645 -0.282,646 -0.286,647 -0.269,648 -0.174,649 -0.279,650 -0.146,651 0.08,652 -0.184,653 -0.011,654 -0.093,655 -0.078,656 0.143,657 -0.007,658 0.231,659 0.096,660 0.112,661 0.171,662 1.441,663 3.629,664 0.783,665 16.246,666 1.009,667 1.135,668 2.827,669 7.994,670 0.674,671 3.296,672 3.689,673 4.025,674 4.382,675 4.644,676 4.804,677 4.942,678 5.124,679 5.136,680 5.187,681 4.958,682 0.653,683 308.38,684 3.296,685 4.875,686 5.765,687 6.688,688 7.602,689 8.531,690 9.454,691 10.385,692 11.312,693 12.245,694 15.4,698 1,702 2,704 3,708 4,709 5,710 3,711 1,714 4,715 1,716 20,727 1,732 1,735 39,737 20,738 1,739 26,741 42,742 16,743 13,744 3,745 3,748 4,749 6,754 2,760 1,762 13,763 3,779 1,780 1,783 16,784 5,785 4,786 7,792 6,796 0.5,797 1,806 1,809 1,810 1,814 2,815 2,818 2,842 2,846 2,850 23,851 1,855 1,861 1,872 2.6,874 1,879 11.833,880 7.583,881 4.861,882 2.289,884 4.053,885 1.54,886 1.016,887 3.112,888 11.553,889 3.611,890 4.35,891 5.075,892 5.798,893 6.388,894 6.861,895 7.364,896 7.905,897 8.215,898 8.637,899 1,900 39,901 8.444,903 3.687,904 7.768,905 15.992,907 13.421,909 2.268,910 52.167,914 141.253,915 81.021,916 101.693,918 42.683,921 81.021,922 183.937,923 101.693,924 17.65,926 70.802,927 106.404,928 35.083,929 7.229,930 129.482,932 141.253,933 182.714,934 42.683,937 70.627,938 113.31,941 49.303,942 83.177,943 50.234,945 141.253,946 144.377,947 81.021,950 141.253,951 16.847,952 65.951,953 16.786,954 125.815,955 141.253,956 144.377,957 81.021,959 0.6,960 0.356,961 0.204,962 0.118,963 22,964 10,965 0.048,966 2,967 2,968 1.222,969 3.409,970 201.251,971 0.222,972 18,973 102.042,979 14.182,980 5.047,981 2.186,982 3.268,983 125.815,984 8.566,985 13.105,986 3.313,989 2.154,990 1.839,991 92.366,992 366.651,993 36,1005 39.356,1006 44.275,1007 0.304,1008 0.757,1009 0.867,1010 0.905,1011 0.905,1012 0.905,1013 4.868,1014 1.412,1015 5.79,1016 4.303,1017 4.369,1018 5.037,1020 6.681,1021 4.284,1022 6.134,1023 1.015,1024 7.398,1025 3.836,1026 4.111,1027 5.047,1029 7.716,1030 3.989,1031 7.486,1032 0.777,1033 9.105,1034 2.718,1035 6.038,1036 7.423,1038 10.871,1039 5.878,1040 8.878,1041 0.468,1042 10.869,1043 1.991,1044 6.581,1045 8.274,1047 12.752,1048 6.386,1049 10.302,1050 -0.288,1051 12.669,1052 1.177,1053 8.023,1054 10.135,1056 15.44,1057 7.795,1058 11.752,1059 -0.413,1060 14.496,1061 -0.674,1062 8.923,1063 11.371,1065 17.672,1066 8.66,1067 13.221,1068 -0.728,1069 16.344,1070 -1.055,1071 10.19,1072 13.031,1074 20.211,1075 9.893,1076 3.347,1077 -0.876,1078 18.206,1079 -2,1080 11.251,1081 14.44,1083 22.59,1084 10.917,1085 2.989,1086 12.1,1087 20.081,1088 -2.119,1089 12.456,1090 16.023,1092 25.084,1093 12.089,1094 2.546,1095 9.716,1096 21.967,1097 4.748,1098 13.588,1099 17.507,1101 27.524,1102 13.182,1103 2.369,1104 8.473,1105 23.861,1106 4.406,1107 14.777,1108 19.061,1110 30.009,1111 14.335,1112 2.053,1113 7.328,1114 25.762,1115 3.272,1116 15.94,1117 20.577,1119 32.475,1120 15.461,1121 1.741,1122 5.799,1123 27.67,1124 3.18,1125 17.127,1126 22.121,1128 34.96,1129 16.61,1130 1.535,1131 4.817,1132 29.583,1133 2.816,1134 18.306,1135 23.652,1137 37.439,1138 17.751,1139 4956,1140 8299,1141 17.224,1142 26.296,1143 40.999,1144 40.431,1145 42.338,1146 40.548,1147 40.5,1148 56.182,1150 124.515,1151 38.702,1152 5.46,1153 5.382,1154 6.57,1155 5.382,1156 5.347,1157 7.748,1159 19.606,1160 5.22,1161 11.774,1162 1.577,1163 1.555,1164 1.628,1165 1.56,1166 1.558,1167 2.161,1169 4.789,1170 1.489,1171 4.187,1172 4.228,1173 4.164,1174 4.072,1175 6.471,1176 4.088,1177 4.008,1178 4.051,1179 3.978,1180 3.866,1181 5.26,1182 3.891,1183 3.578,1184 3.655,1185 3.445,1186 3.413,1187 4.947,1188 3.404,1189 3.437,1190 3.48,1191 3.372,1192 3.277,1193 4.811,1194 3.295,1195 3.135,1196 3.228,1197 3.032,1198 2.876,1199 4.494,1200 2.909,1201 2.985,1202 3.09,1203 2.868,1204 2.816,1205 4.14,1206 2.815,1207 2.954,1208 3.013,1209 2.829,1210 2.676,1211 3.985,1212 2.714,1213 2.874,1214 3.009,1215 2.499,1216 2.618,1217 3.737,1218 2.57,1219 0.183,1220 0.13,1221 0.271,1222 0.166,1223 0.129,1224 4.771,1225 0.183,1226 3.382,1228 7.042,1229 0.465,1230 4.309,1231 0.124,1232 3.347,1233 4.748,1235 12.1,1236 3.22,1237 1.919,1238 1.9,1239 2.002,1240 2.028,1241 1.148,1242 2.009,1243 1.846,1244 1.808,1245 1.95,1246 2.01,1247 1.126,1248 1.998,1249 1.68,1250 1.615,1251 1.839,1252 1.885,1253 0.961,1254 1.876,1255 1.458,1256 1.397,1257 1.595,1258 1.669,1259 0.625,1260 1.659,1261 1.021,1262 0.979,1263 1.417,1264 1.35,1265 0.469,1266 1.322,1267 1.003,1268 0.929,1269 1.218,1270 1.24,1271 0.246,1272 1.308,1273 0.934,1274 0.804,1275 1.184,1276 1.239,1277 0.15,1278 1.221,1279 0.828,1280 0.75,1281 1.087,1282 1.146,1283 0.04,1284 1.131,1285 3.97,1287 5.342,1288 3.045,1289 6.903,1290 5.476,1291 8.554,1292 7.662,1293 10.254,1295 4.079,1299 6.068,1300 9.629,1306 0.147,1312 25.477,1313 62.621,1314 156.115,1315 178.621,1316 186.621,1317 186.621,1318 186.621,1319 31.186,1320 7.5,1321 105.64,1322 105.64,1323 22,1324 12.746,1325 4.392,1326 3.459,1327 31.647,1328 67,1329 72,1330 0.236,1331 156.017,1332 245.99,1333 372.442,1334 16600,1336 16.137,1337 0.702,1338 0.556,1339 16.137,1340 12.778,1341 11.042,1342 0.425,1343 0.283,1344 7.241,1345 10.585,1346 7.031,1347 5.859,1348 11.042,1349 7.351,1350 10.627,1351 0.272,1352 0.149,1353 10.627,1354 5.799,1355 9.012,1356 0.164,1357 0.07,1358 9.012,1359 3.867,1360 8.025,1361 0.102,1362 0.035,1363 8.025,1364 2.792,1365 6.688,1366 0.065,1367 0.018,1368 6.688,1369 1.9,1370 0.354,1371 69.379,1372 0.241,1373 21.866,1374 0.703,1375 130,1376 360.375,1377 143.594,1378 357.391,1379 505.68,1380 334,1381 159,1382 399.577,1383 173.65,1384 404.341,1385 597.49,1386 381,1387 7.387} {0 CHEMBL1242373,1 1.618,2 11.759,3 3.933,4 15.471,5 117.722,6 8.365,7 0.667,8 3.997,9 4.111,10 3.709,11 3.639,12 5.142,13 3.602,14 4.493,15 4.639,16 4.132,17 4.064,18 5.633,19 3.999,20 4.721,21 4.888,22 4.17,23 4.201,24 5.778,25 4.11,26 4.796,27 4.992,28 4.158,29 4.171,30 5.86,31 4.067,32 4.757,33 4.965,34 3.973,35 4.034,36 5.852,37 3.942,38 4.658,39 4.885,40 3.814,41 3.886,42 5.753,43 3.799,44 4.55,45 4.787,46 3.578,47 3.728,48 5.62,49 3.633,50 4.367,51 4.61,52 3.493,53 3.641,54 5.344,55 3.52,56 0.044,57 0.741,58 8.548,59 4.058,60 9.035,61 4.815,62 0.237,63 1.207,64 16.518,65 7.371,66 23.007,67 9.21,68 0.161,69 1.469,70 23.38,71 9.719,72 24.624,73 11.481,74 0.166,75 1.567,76 28.506,77 11.019,78 28.39,79 13.62,80 0.285,81 1.483,82 27.29,83 9.665,84 42.509,85 11.299,86 0.245,87 1.33,88 24.568,89 8.595,90 41.285,91 10.569,92 0.34,93 1.161,94 21.553,95 7.172,96 52.154,97 8.895,98 0.219,99 0.948,100 19.142,101 7.447,102 27.479,103 9.676,104 10,105 48,106 0.27,107 0.642,108 0.777,109 0.859,110 0.88,111 0.887,112 3.408,113 0.927,114 -4.9,115 -4.8,116 -4.51,119 45.8,120 1,121 2,142 7,143 5,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 13,174 1,175 3,177 1,178 3,179 1,180 5,183 20,185 1,188 2,193 5,196 16,198 1,200 8,202 1,203 1,205 10,208 8,210 2,213 10,218 9,221 3,223 3,225 9,230 8,233 4,235 3,239 2,244 3,247 8,253 1,256 2,257 1,258 1,260 1,261 12,266 1,271 1,274 12,278 1232,279 19.756,280 19.756,281 19.756,282 19.756,283 19.756,284 16.962,285 23.019,286 11.495,287 20.177,288 16.342,289 16.342,290 16.342,291 16.342,292 16.342,293 12.047,294 29.077,295 5.51,296 17.047,297 3.967,298 1.735,299 0.925,300 0.432,301 0.307,302 0.266,303 4.121,307 1,308 1,309 766,310 3.162,313 44.233,314 251.983,317 166.043,318 86.364,321 1.922,322 21.968,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 61.5,334 341,335 4.774,336 3.565,337 7.107,338 4.333,339 3.368,340 4.724,341 1.656,342 12.368,343 3.261,344 4.239,345 3.431,346 6.267,347 3.814,348 2.844,349 3.912,350 0.247,351 9.348,352 2.752,353 4.072,354 2.917,355 5.663,356 3.681,357 2.704,358 3.661,360 7.811,361 2.641,362 3.798,363 2.737,364 5.577,365 3.426,366 2.457,367 3.199,369 7.387,370 2.374,371 3.609,372 2.507,373 5.34,374 3.185,375 2.238,376 2.95,378 6.762,379 2.119,380 3.432,381 2.252,382 5.104,383 2.991,384 2.047,385 2.754,387 5.911,388 1.919,389 3.256,390 2.133,391 4.88,392 2.808,393 1.865,394 2.533,396 5.552,397 1.749,398 3.116,399 1.971,400 4.716,401 2.707,402 1.734,403 2.301,405 4.854,406 1.692,407 3.013,408 1.906,409 4.483,410 2.664,411 1.68,412 2.165,414 4.549,415 1.611,416 2.816,417 1.374,418 4.156,419 2.286,420 1.344,421 1.96,423 3.411,424 1.261,425 2.658,426 1.24,427 3.576,428 2.179,429 1.181,430 1.729,432 2.588,433 1.178,434 2.301,435 0.958,436 3.479,437 1.853,438 0.893,439 1.225,441 2.221,442 0.852,443 1.861,444 0.643,445 3.25,446 1.476,447 0.575,448 0.719,450 1.468,451 0.507,452 1.311,453 0.616,454 2.992,455 1.017,456 0.07,457 0.083,459 0.197,460 0.066,461 1.182,462 0.273,463 2.583,464 0.772,465 -0.216,466 -0.276,468 -0.529,469 -0.207,470 14.167,471 0.489,472 0.763,473 0.026,474 42,475 1.448,476 23,477 0.793,478 19,479 0.655,480 22.772,481 0.785,482 29.033,483 0.605,484 29.481,485 1.017,486 7.941,487 0.274,488 6.14,489 0.212,490 0.087,492 0.388,497 0.875,498 1.029,499 0.721,500 0.776,501 0.729,502 0.758,503 0.407,504 0.87,505 0.728,506 0.849,507 0.441,508 0.833,509 1.017,510 1.085,511 1.069,512 1.051,513 0.938,514 1.024,515 0.759,516 1.229,517 1.04,518 1.228,519 0.719,520 1.092,521 1.551,522 1.119,523 1.181,524 1.07,525 1.498,526 1.061,527 1.394,528 1.089,529 1.014,530 0.98,531 1.351,532 0.995,533 1.804,534 0.866,535 0.982,536 0.79,537 2.032,538 0.97,539 0.757,540 0.711,541 0.791,542 0.838,543 0.975,544 0.879,545 6,546 0.136,547 2.667,548 2.694,549 1.933,550 0.91,551 0.508,552 0.364,553 0.246,554 0.222,555 11869,556 31373,557 2.171,558 39.6,559 5,560 7,562 1,563 4,564 2,568 1.716,569 2.047,570 3.502,571 1.629,573 1,578 77.65,579 1.618,580 3.849,581 4.66,582 5.153,583 5.278,584 5.319,585 2.962,586 4.625,587 4.829,588 3.693,589 1499.32,590 8.389,591 20251.6,593 1,595 1,596 268.078,597 1.361,598 4.797,599 0.182,600 0.006,601 0.056,602 0.055,603 0.042,604 0.023,605 0.015,606 0.014,607 0.01,608 0.009,609 0.412,610 0.17,611 0.88,612 0.506,613 147.745,614 -0.121,615 0.051,616 0.042,617 0.11,618 -0.109,619 0.089,620 0.35,621 0.164,622 0.146,623 0.105,624 0.183,625 0.078,626 -0.143,627 -0.071,628 -0.097,629 -0.05,630 -0.118,631 -0.084,632 0.088,633 -0.255,634 0.016,635 -0.183,636 0.113,637 -0.098,638 -0.252,639 -0.11,640 -0.175,641 -0.105,642 -0.149,643 -0.119,644 -0.173,645 -0.1,646 -0.074,647 -0.062,648 -0.074,649 -0.039,650 -0.354,651 0.101,652 -0.125,653 0.067,654 -0.379,655 -0.026,656 0.179,657 0.178,658 0.151,659 0.136,660 0.045,661 0.167,662 1.925,663 5.384,664 0.793,665 28.775,666 1.002,667 1.115,668 3.667,669 13.446,670 0.718,671 3.526,672 3.892,673 4.205,674 4.564,675 4.836,676 4.97,677 5.142,678 5.375,679 5.468,680 5.568,681 6.975,682 0.681,683 401.53,684 3.526,685 5.094,686 5.969,687 6.878,688 7.773,689 8.69,690 9.595,691 10.518,692 11.43,693 12.356,694 10.4,698 1,701 2,704 2,708 2,709 8,710 2,713 1,714 8,716 22,727 1,735 48,737 23,738 2,739 33,741 52,742 22,743 18,744 5,745 7,748 5,749 11,753 1,754 1,757 2,760 2,762 19,763 3,767 1,772 1,776 1,780 1,783 19,784 6,785 4,786 7,787 1,792 5,796 0.4,797 1,809 1,814 1,815 4,818 2,819 1,842 2,844 1,846 1,850 29,851 1,856 2,858 2,867 1,872 2.1,875 1,879 14.167,880 8.983,881 6.167,882 2.817,884 4.253,885 1.506,886 1.067,887 4.533,888 12.655,889 3.829,890 4.503,891 5.138,892 5.822,893 6.399,894 6.762,895 7.214,896 7.735,897 8.054,898 8.429,899 0.875,900 49,901 10.695,903 4.665,904 7.678,905 20.554,907 17.456,909 2.178,910 63.167,913 1,914 176.567,915 149.232,916 102.49,918 25.145,920 31.278,921 117.954,922 201.711,923 102.49,924 8.825,925 41.091,926 99.231,927 70.804,928 29.447,929 7.962,930 196.073,932 176.567,933 220.444,934 25.145,935 31.278,937 176.567,938 25.145,941 58.851,942 128.022,943 33.571,944 31.278,945 176.567,946 127.635,947 149.232,950 176.567,951 65.455,952 83.778,953 36.022,954 91.613,955 176.567,956 127.635,957 149.232,959 0.59,960 0.344,961 0.201,962 0.112,963 26,964 11,965 0.038,966 2,967 3,968 1.261,969 4.104,970 269.219,971 0.261,972 23,973 138.881,975 1,979 18.226,980 7.213,981 3.39,982 1.862,983 127.635,984 15.242,985 8.557,988 1.684,989 7.903,991 68.919,992 453.433,993 45,998 12.384,1002 -0.259,1005 48.098,1006 53.527,1007 0.29,1008 0.689,1009 0.834,1010 0.923,1011 0.945,1012 0.952,1013 5.078,1014 1.734,1015 5.969,1016 5.552,1017 4.575,1018 5.19,1019 1.758,1020 6.821,1021 4.496,1022 6.314,1023 1.68,1024 7.545,1025 4.854,1026 4.205,1027 5.085,1028 1.195,1029 7.779,1030 4.102,1031 7.643,1032 1.344,1033 9.22,1034 4.549,1035 6.201,1036 7.47,1037 2.415,1038 10.94,1039 6.057,1040 9.007,1041 1.181,1042 10.955,1043 3.411,1044 6.635,1045 8.188,1046 2.324,1047 12.794,1048 6.465,1049 10.403,1050 0.893,1051 12.732,1052 2.588,1053 8.122,1054 10.064,1055 3.244,1056 15.497,1057 7.921,1058 11.823,1059 0.575,1060 14.54,1061 2.221,1062 8.953,1063 11.2,1064 3.407,1065 17.747,1066 8.722,1067 13.265,1068 0.07,1069 16.373,1070 1.468,1071 10.24,1072 12.867,1073 4.156,1074 20.309,1075 9.981,1076 3.368,1077 -0.216,1078 18.227,1079 0.197,1080 11.266,1081 14.214,1082 4.464,1083 22.72,1084 10.975,1085 2.844,1086 12.368,1087 20.098,1088 -0.529,1089 12.481,1090 15.797,1091 5.111,1092 25.241,1093 12.161,1094 2.704,1095 9.348,1096 21.984,1097 4.724,1098 13.599,1099 17.247,1100 5.504,1101 27.715,1102 13.246,1103 2.457,1104 7.811,1105 23.882,1106 3.912,1107 14.794,1108 18.799,1109 6.091,1110 30.227,1111 14.411,1112 2.238,1113 7.387,1114 25.79,1115 3.661,1116 15.956,1117 20.299,1118 6.531,1119 32.724,1120 15.54,1121 2.047,1122 6.762,1123 27.707,1124 3.199,1125 17.149,1126 21.843,1127 7.083,1128 35.235,1129 16.702,1130 1.865,1131 5.911,1132 29.631,1133 2.95,1134 18.333,1135 23.367,1136 7.551,1137 37.742,1138 17.852,1139 10917,1140 17910,1141 22.482,1142 34.461,1143 50.432,1144 51.192,1145 51.727,1146 49.943,1147 50.003,1148 67.828,1149 3.806,1150 148.856,1151 47.962,1152 5.66,1153 5.565,1154 6.664,1155 5.461,1156 5.368,1157 7.724,1158 2.912,1159 19.834,1160 5.261,1161 12.266,1162 1.528,1163 1.551,1164 1.567,1165 1.513,1166 1.515,1167 2.055,1168 0.115,1169 4.511,1170 1.453,1171 4.141,1172 4.157,1173 4.355,1174 4.135,1175 7.431,1176 4.099,1177 3.932,1178 3.966,1179 3.89,1180 3.859,1181 5.22,1182 3.855,1183 3.837,1184 3.871,1185 3.823,1186 3.769,1187 4.8,1188 3.757,1189 3.515,1190 3.572,1191 3.488,1192 3.337,1193 4.753,1194 3.343,1195 3.358,1196 3.409,1197 3.39,1198 3.142,1199 4.683,1200 3.168,1201 3.146,1202 3.225,1203 3.118,1204 3.003,1205 4.266,1206 2.978,1207 3.119,1208 3.179,1209 2.968,1210 2.983,1211 4.01,1212 2.968,1213 2.999,1214 3.102,1215 2.921,1216 2.811,1217 3.857,1218 2.792,1219 0.145,1220 0.108,1221 0.215,1222 0.131,1223 0.102,1224 4.774,1225 0.143,1226 3.565,1227 0.05,1228 7.107,1229 0.375,1230 4.333,1231 0.099,1232 3.368,1233 4.724,1234 1.656,1235 12.368,1236 3.261,1237 2.006,1238 1.986,1239 2.09,1240 2.08,1241 1.355,1242 2.084,1243 1.913,1244 1.883,1245 2.035,1246 2.008,1247 1.131,1248 2.018,1249 1.759,1250 1.729,1251 1.787,1252 1.914,1253 0.937,1254 1.896,1255 1.541,1256 1.511,1257 1.694,1258 1.702,1259 0.866,1260 1.705,1261 1.281,1262 1.225,1263 1.556,1264 1.524,1265 0.614,1266 1.53,1267 1.147,1268 1.08,1269 1.361,1270 1.379,1271 0.486,1272 1.405,1273 1.101,1274 1.064,1275 1.226,1276 1.284,1277 0.315,1278 1.289,1279 0.893,1280 0.839,1281 1.161,1282 1.172,1283 0.188,1284 1.186,1285 4.205,1287 5.557,1288 2.398,1289 7.106,1290 4.844,1291 8.752,1292 7.081,1293 10.452,1295 1.993,1299 6.152,1301 1.846,1303 5.803,1312 32.697,1313 77.65,1314 184.775,1315 223.672,1316 247.323,1317 253.323,1318 255.323,1319 39.126,1320 8.402,1321 92.93,1322 121.17,1323 29,1324 12.863,1325 4.585,1326 3.7,1327 39.843,1328 124,1329 115,1330 0.16,1331 201.732,1332 337.02,1333 483.987,1334 57174,1336 19.957,1337 0.688,1338 0.574,1339 20.311,1340 16.638,1341 14.081,1342 0.427,1343 0.309,1344 9.364,1345 13.268,1346 9.048,1347 7.487,1348 14.489,1349 10.198,1350 13.213,1351 0.275,1352 0.172,1353 13.856,1354 8.243,1355 11.099,1356 0.168,1357 0.095,1358 11.878,1359 6.278,1360 10.199,1361 0.107,1362 0.053,1363 11.161,1364 5.009,1365 8.419,1366 0.067,1367 0.03,1368 9.379,1369 3.695,1370 0.254,1371 91.156,1372 0.211,1373 27.622,1374 0.432,1375 162,1376 427.864,1377 199.247,1378 448.021,1379 627.58,1380 420,1381 195,1382 461.661,1383 228.205,1384 489.063,1385 720.33,1386 461,1387 5.9} {0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,119 37.3,120 2,121 4,124 1,125 8,127 1,142 6,143 1,144 4,146 1,147 1,148 1,159 1,172 5,174 3,175 14,178 2,180 2,183 5,187 2,188 9,193 2,196 3,199 3,200 7,208 7,212 5,213 6,216 2,221 6,224 2,225 5,233 1,238 5,239 6,242 1,244 3,252 2,253 6,258 1,261 2,265 2,266 9,269 1,271 1,274 5,278 4089,279 28.093,280 28.093,281 28.093,282 28.093,283 28.093,284 26.004,285 40.814,286 16.851,287 29.056,288 22.201,289 22.201,290 22.201,291 22.201,292 22.201,293 18.876,294 55.107,295 7.968,296 23.635,297 4.862,298 3.028,299 1.661,300 1.106,301 0.943,302 0.943,303 4.448,308 1,309 1652,310 4.243,314 695.423,318 211.342,321 3.243,322 34.55,325 0.75,326 0.5,327 0.67,328 0.9,329 1,330 0.83,331 1,332 0.81,333 89,334 765,335 4.597,336 3.691,337 6.725,338 4.143,339 3.185,340 4.523,341 1.701,342 10.984,343 3.055,344 4.109,345 3.34,346 6.149,347 3.813,348 2.87,349 3.657,350 0.86,351 9.064,352 2.704,353 4.049,354 3.106,355 6.048,356 3.678,357 2.742,358 3.525,359 0.86,360 8.686,361 2.559,362 3.9,363 3.011,364 5.661,365 3.565,366 2.625,367 3.129,368 0.86,369 7.513,370 2.462,371 3.607,372 2.831,373 5.519,374 3.449,375 2.521,376 2.934,377 0.8,378 7.362,379 2.34,380 3.521,381 2.595,382 5.34,383 3.274,384 2.342,385 2.714,386 0.8,387 6.965,388 2.172,389 3.477,390 2.499,391 5.196,392 3.164,393 2.227,394 2.522,395 0.563,396 6.538,397 2.072,398 3.141,399 2.307,400 4.801,401 2.813,402 1.861,403 2.334,404 0.075,405 5.225,406 1.765,407 2.983,408 2.195,409 4.415,410 2.75,411 1.812,412 2.051,414 4.53,415 1.695,416 2.903,417 2.029,418 4.351,419 2.604,420 1.629,421 1.997,423 4.046,424 1.585,425 2.731,426 1.7,427 4.024,428 2.446,429 1.497,430 1.753,432 3.39,433 1.41,434 2.589,435 1.559,436 3.882,437 2.307,438 1.387,439 1.584,441 3.134,442 1.271,443 2.5,444 1.464,445 3.7,446 2.196,447 1.237,448 1.5,450 3.119,451 1.174,452 2.401,453 1.376,454 3.447,455 2.002,456 1.073,457 1.366,459 2.578,460 1,461 2.252,462 1.146,463 3.414,464 2,465 1,466 1.214,468 2.275,469 0.988,470 19.233,471 0.469,472 0.848,473 0.021,474 48,475 1.171,476 20,477 0.488,478 28,479 0.683,480 42.849,481 1.045,482 46.767,483 0.563,484 39.363,485 0.96,486 9.074,487 0.221,488 10.921,489 0.266,490 0.095,492 0.296,497 0.859,498 1.654,499 0.862,500 1.349,501 0.646,502 1.137,503 1.143,504 1.073,505 0.965,506 0.977,507 0.664,508 0.94,509 1.237,510 1.063,511 1.021,512 0.975,513 0.934,514 0.963,515 1.054,516 1.046,517 1.003,518 1.02,519 1.244,520 1.003,521 0.931,522 0.993,523 1.003,524 1.042,525 1.335,526 1.041,527 0.939,528 1.151,529 0.99,530 1.117,531 0.935,532 1.075,533 1.054,534 0.941,535 0.995,536 0.917,537 0.839,538 0.94,539 1.264,540 1.094,541 1.064,542 1.036,543 1.092,544 1.018,545 7.5,546 0.264,547 4,548 2.125,549 2.293,550 1.25,551 0.926,552 0.63,553 0.448,554 0.345,555 33017,556 72394,557 2.105,558 50.6,559 2,560 26,562 1,563 1,565 10,566 2,568 1.801,569 2,570 4.128,571 -0.376,578 125.561,579 1.513,580 3.347,581 4.714,582 5.269,583 5.432,584 5.432,585 3.647,586 4.87,587 5.318,588 4.34,589 3558.6,590 9.376,591 67410.3,596 529.128,597 1.282,598 5.302,599 0.167,600 0.006,601 0.066,602 0.033,603 0.038,604 0.022,605 0.017,606 0.013,607 0.009,608 0.007,609 0.377,610 0.33,611 0.63,612 0.801,613 239.147,614 -0.005,615 -0.347,616 0.084,617 -0.165,618 0.016,619 -0.047,621 0.083,622 0.041,623 0.044,624 0.121,625 0.049,626 -0.077,627 -0.008,628 -0.013,629 0.026,630 -0.003,631 0.019,632 -0.031,633 -0.02,634 -0.011,635 -0.023,636 -0.028,637 -0.015,638 0.082,639 0.019,640 -0.017,641 -0.03,642 -0.033,643 -0.042,644 0.006,645 -0.165,646 -0.012,647 -0.109,648 -0.047,649 -0.072,650 0.064,651 0.046,652 0.017,653 0.029,654 0.065,655 0.017,656 -0.094,657 -0.057,658 -0.052,659 -0.058,660 -0.065,661 -0.048,662 1.779,663 5.911,664 0.683,665 71.748,666 0.998,667 1.136,668 2.92,669 8.526,670 0.633,671 3.829,672 4.127,673 4.382,674 4.635,675 4.89,676 4.956,677 5.13,678 5.252,679 5.375,680 5.464,681 10.427,682 0.596,683 562.79,684 3.829,685 5.361,686 6.201,687 7.066,688 7.923,689 8.794,690 9.661,691 10.537,692 11.41,693 12.29,694 7.2,697 1,700 1,701 2,704 2,708 2,709 7,710 2,714 5,716 17,730 1,733 3,735 83,737 18,738 2,739 45,741 87,742 31,743 14,744 6,745 6,748 5,749 6,753 1,754 2,757 3,760 5,762 15,763 16,767 1,772 1,776 1,783 42,784 10,785 1,786 10,792 6,796 0.8,797 4,809 1,815 5,819 1,838 1,842 4,846 3,850 41,856 12,858 1,859 3,861 1,862 3,872 4.8,875 1,877 3,879 20.5,880 15.583,881 9.139,882 5.374,884 3.332,885 1.377,886 0.964,887 10.415,888 12.159,889 4.016,890 4.543,891 5.077,892 5.637,893 6.214,894 6.493,895 6.88,896 7.216,897 7.519,898 7.579,899 0.923,900 64,901 15.239,903 6.347,904 7.565,905 29.822,907 24.38,909 2.065,910 84.667,914 482.615,915 153.288,916 60.955,918 58.145,921 153.288,922 540.76,923 60.955,924 28.533,925 50.606,926 56.857,927 70.487,928 71.071,929 6.604,930 470.844,932 482.615,933 214.243,934 58.145,937 341.362,938 199.398,941 82.143,942 98.529,943 33.571,945 482.615,946 119.099,947 153.288,950 482.615,951 59.278,952 103.382,953 18.011,954 91.716,955 482.615,956 119.099,957 153.288,959 0.571,960 0.328,961 0.18,962 0.1,963 27,964 12,965 0.115,966 10,967 1,968 1.071,969 5.231,970 395.481,971 0.071,972 28,973 205.66,979 29.679,980 14.388,981 7.936,982 1.721,983 119.099,984 12.966,985 9.132,989 3.743,991 18.011,992 755.002,993 54.5,998 12.911,1002 -0.113,1005 82.825,1006 94.301,1007 0.237,1008 0.525,1009 0.74,1010 0.827,1011 0.852,1012 0.852,1013 5.259,1014 1.861,1015 6.163,1016 6.538,1017 4.812,1018 5.231,1019 2.549,1020 6.938,1021 4.694,1022 6.417,1023 1.812,1024 7.696,1025 5.225,1026 4.29,1027 4.977,1028 1.494,1029 7.766,1030 4.108,1031 7.699,1032 1.629,1033 9.328,1034 4.53,1035 6.368,1036 7.35,1037 2.805,1038 10.856,1039 6.134,1040 9.014,1041 1.497,1042 11.02,1043 4.046,1044 6.673,1045 7.967,1046 2.523,1047 12.537,1048 6.376,1049 10.367,1050 1.387,1051 12.752,1052 3.39,1053 8.193,1054 9.83,1055 3.483,1056 15.139,1057 7.854,1058 11.744,1059 1.237,1060 14.513,1061 3.134,1062 8.899,1063 10.877,1064 3.619,1065 17.193,1066 8.503,1067 13.142,1068 1.073,1069 16.294,1070 3.119,1071 10.179,1072 12.529,1073 4.385,1074 19.632,1075 9.745,1076 3.185,1077 1,1078 18.092,1079 2.578,1080 11.09,1081 13.8,1082 4.719,1083 21.859,1084 10.606,1085 2.87,1086 10.984,1087 19.903,1088 2.275,1089 12.267,1090 15.361,1091 5.379,1092 24.249,1093 11.748,1094 2.742,1095 9.064,1096 21.724,1097 4.523,1098 13.283,1099 16.747,1100 5.808,1101 26.558,1102 12.72,1103 2.625,1104 8.686,1105 23.555,1106 3.657,1107 14.421,1108 18.27,1109 6.411,1110 28.936,1111 13.822,1112 2.521,1113 7.513,1114 25.394,1115 3.525,1116 15.492,1117 19.716,1118 6.887,1119 31.285,1120 14.852,1121 2.342,1122 7.362,1123 27.239,1124 3.129,1125 16.618,1126 21.225,1127 7.458,1128 33.664,1129 15.943,1130 2.227,1131 6.965,1132 29.091,1133 2.934,1134 17.719,1135 22.701,1136 7.96,1137 36.034,1138 17.005,1139 31085,1140 46350,1141 30.512,1142 52.557,1143 66.4,1144 67.816,1145 67.682,1146 66.189,1147 66.184,1148 80.073,1149 13.04,1150 184.219,1151 62.35,1152 5.597,1153 5.691,1154 6.527,1155 5.225,1156 5.185,1157 7.523,1158 2.972,1159 18.176,1160 5.055,1161 18.625,1162 1.476,1163 1.507,1164 1.504,1165 1.471,1166 1.471,1167 1.779,1168 0.29,1169 4.094,1170 1.386,1171 4.087,1172 4.12,1173 4.057,1174 3.977,1175 7.429,1176 3.992,1177 3.933,1178 3.964,1179 3.876,1180 3.834,1181 5.092,1182 3.838,1183 3.859,1184 3.928,1185 3.725,1186 3.701,1187 4.861,1188 3.696,1189 3.786,1190 3.843,1191 3.695,1192 3.589,1193 4.754,1194 3.606,1195 3.59,1196 3.651,1197 3.478,1198 3.414,1199 4.473,1200 3.406,1201 3.571,1202 3.63,1203 3.419,1204 3.398,1205 4.427,1206 3.393,1207 3.439,1208 3.488,1209 3.317,1210 3.221,1211 4.333,1212 3.25,1213 3.299,1214 3.351,1215 3.216,1216 3.02,1217 4.286,1218 3.065,1219 0.102,1220 0.082,1221 0.149,1222 0.092,1223 0.071,1224 4.597,1225 0.101,1226 3.691,1227 0.038,1228 6.725,1229 0.244,1230 4.143,1231 0.068,1232 3.185,1233 4.523,1234 1.701,1235 10.984,1236 3.055,1237 2.006,1238 1.984,1239 2.072,1240 2.138,1241 1.418,1242 2.118,1243 1.888,1244 1.863,1245 2.058,1246 2.029,1247 1.299,1248 2.043,1249 1.836,1250 1.77,1251 1.999,1252 2.017,1253 1.175,1254 2.011,1255 1.731,1256 1.667,1257 1.921,1258 1.94,1259 1.125,1260 1.938,1261 1.581,1262 1.517,1263 1.863,1264 1.787,1265 1.094,1266 1.813,1267 1.558,1268 1.496,1269 1.828,1270 1.762,1271 1.013,1272 1.785,1273 1.345,1274 1.3,1275 1.59,1276 1.616,1277 0.825,1278 1.6,1279 1.175,1280 1.12,1281 1.513,1282 1.484,1283 0.825,1284 1.456,1285 4.511,1287 5.814,1289 7.314,1291 8.905,1293 10.546,1295 5.633,1301 11.506,1303 2.991,1304 17.52,1306 0.106,1307 6.549,1312 49.47,1313 125.561,1314 277.832,1315 391.296,1316 437.354,1317 450.864,1318 450.864,1319 74.498,1320 8.828,1321 92.29,1322 92.29,1323 30,1324 12.828,1325 4.248,1326 3.392,1327 66.785,1328 251,1329 273,1330 0.125,1331 301.57,1332 527.76,1333 727.591,1334 110217,1336 28.606,1337 0.698,1338 0.597,1339 28.606,1340 24.473,1341 19.996,1342 0.444,1343 0.328,1344 14.497,1345 19.002,1346 14.139,1347 11.709,1348 19.996,1349 14.754,1350 17.611,1351 0.289,1352 0.179,1353 17.611,1354 10.917,1355 14.504,1356 0.184,1357 0.096,1358 14.504,1359 7.568,1360 12.161,1361 0.119,1362 0.053,1363 12.161,1364 5.441,1365 10.068,1366 0.076,1367 0.029,1368 10.068,1369 3.85,1370 0.205,1371 126.469,1372 0.181,1373 37.724,1374 0.32,1375 212,1376 603.501,1377 237.526,1378 565.996,1379 780.93,1380 536,1381 246,1382 578.93,1383 272.114,1384 578.441,1385 848.02,1386 544,1387 5} {0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,119 37,120 4,121 2,125 4,130 1,142 8,143 1,144 4,145 1,147 1,150 1,172 6,174 2,175 6,178 5,180 8,183 8,187 1,188 8,193 6,196 3,200 14,203 1,204 1,205 3,208 2,213 11,216 3,217 1,218 2,221 9,225 5,230 4,233 7,238 4,239 3,242 1,244 7,247 12,253 3,256 1,258 2,261 10,265 2,266 4,269 4,270 1,274 9,278 2967,279 24.159,280 24.159,281 24.159,282 24.159,283 24.159,284 21.673,285 38.907,286 14.205,287 24.832,288 19.81,289 19.81,290 19.81,291 19.81,292 19.81,293 16.019,294 60.338,295 6.843,296 20.944,297 4.586,298 2.559,299 1.429,300 1.025,301 0.987,302 0.987,303 4.33,308 1,309 1286,310 4.69,313 129.463,314 413.698,321 2.793,322 37.72,325 0.75,326 0.5,327 0.67,328 0.9,329 1,330 0.67,331 0.5,332 0.71,333 80,334 605,335 4.875,336 4.691,337 7.355,338 4.393,339 3.462,340 4.71,341 0.86,342 12.764,343 3.215,344 4.278,345 3.18,346 6.348,347 3.927,348 2.968,349 3.92,350 0.8,351 9.713,352 2.825,353 4.053,354 3.08,355 6.116,356 3.85,357 2.905,358 3.635,359 0.4,360 8.997,361 2.743,362 4.028,363 2.946,364 5.584,365 3.632,366 2.674,367 3.424,368 0.4,369 7.669,370 2.563,371 3.829,372 2.827,373 5.38,374 3.469,375 2.541,376 3.019,378 7.068,379 2.356,380 3.611,381 2.666,382 5.354,383 3.387,384 2.427,385 2.921,387 6.985,388 2.339,389 3.53,390 2.481,391 5.274,392 3.225,393 2.282,394 2.599,396 6.721,397 2.133,398 3.302,399 2.094,400 4.901,401 2.867,402 1.93,403 2.526,405 5.645,406 1.799,407 3.055,408 1.746,409 4.679,410 2.6,411 1.625,412 2.249,414 4.64,415 1.581,416 2.795,417 1.615,418 4.159,419 2.38,420 1.414,421 1.915,423 3.671,424 1.361,425 2.61,426 1.465,427 3.609,428 2.301,429 1.353,430 1.654,432 3.011,433 1.278,434 2.5,435 1.208,436 3.514,437 2.108,438 1.114,439 1.5,441 2.545,442 1.105,443 2.449,444 1.176,445 3.414,446 2,447 1,448 1.448,450 2.275,451 1,452 1.996,453 1,454 3.281,455 1.865,456 0.942,457 0.978,459 2.074,460 0.861,461 1.628,462 0.744,463 3.222,464 1.591,465 0.618,466 0.618,468 1.372,469 0.6,470 17.733,471 0.479,472 1.187,473 0.032,474 46.5,475 1.257,476 22.5,477 0.608,478 24,479 0.649,480 36.06,481 0.975,482 41.667,483 0.571,484 38.172,485 1.032,486 8.57,487 0.232,488 9.001,489 0.243,490 0.15,491 0.075,492 0.22,497 0.719,498 1.52,499 0.881,500 1.309,501 0.729,502 1.07,503 0.79,504 1.115,505 0.851,506 0.985,507 0.506,508 0.939,509 1.222,510 1.245,511 1.186,512 1.163,513 0.945,514 1.153,515 1.121,516 0.95,517 1.18,518 1.079,519 1.11,520 0.835,521 1.818,522 0.874,523 1.063,524 0.797,525 2.326,526 0.883,527 1.125,528 1.135,529 0.958,530 0.987,531 0.964,532 1.074,533 0.508,534 1.033,535 0.805,536 0.961,537 0.459,538 1.012,539 0.81,540 1.214,541 1.129,542 1.266,543 0.742,544 1.167,545 10.5,546 0.301,547 3.556,548 2.66,549 1.801,550 1.08,551 0.94,552 0.66,553 0.432,554 0.325,555 24047,556 57016,557 2.026,558 49.3,559 3,560 16,562 1,563 3,565 13,568 1.776,569 1.881,570 3.948,571 0.809,578 117.093,579 1.604,580 3.63,581 4.761,582 5.165,583 5.203,584 5.203,585 3.422,586 4.757,587 5.176,588 4.193,589 2792.67,590 9.083,591 48931,596 451.857,597 1.595,598 5.121,599 0.262,600 0.008,601 0.062,602 0.051,603 0.035,604 0.022,605 0.02,606 0.014,607 0.01,608 0.009,609 0.493,610 0.17,611 0.63,612 0.989,613 209.085,614 0.058,615 -0.223,616 0.187,617 -0.097,618 -0.15,620 0.243,621 0.031,622 0.122,623 0.041,624 0.343,625 0.055,626 -0.14,627 -0.145,628 -0.125,629 -0.124,630 -0.057,631 -0.174,632 -0.014,633 0.021,634 0.056,635 0.021,636 0.093,637 0.154,638 -0.192,639 0.098,640 -0.094,641 0.122,642 -0.238,643 0.048,644 -0.171,645 -0.069,646 -0.098,647 -0.031,648 -0.155,649 -0.082,650 0.187,651 -0.006,652 0.083,653 0.011,654 0.127,655 -0.004,656 -0.015,657 -0.164,658 -0.103,659 -0.217,660 0.012,661 -0.156,662 4.57,663 5.733,664 0.622,665 54.171,666 0.999,667 1.134,668 3.134,669 9.82,670 0.65,671 3.714,672 4.06,673 4.205,674 4.443,675 4.575,676 4.585,677 4.745,678 4.836,679 4.963,680 5.037,681 9.572,682 0.608,683 524.76,684 3.714,685 5.273,686 6.089,687 6.971,688 7.801,689 8.682,690 9.52,691 10.401,692 11.244,693 12.124,694 8.2,696 1,697 1,702 2,704 2,709 9,710 2,714 7,716 18,728 2,733 1,735 73,737 20,738 2,739 40,741 76,742 27,743 16,744 4,745 8,748 4,749 4,754 4,757 2,760 2,762 16,763 11,764 1,767 2,770 1,772 2,783 36,784 9,785 3,786 10,787 1,792 6,796 1,797 3,809 1,811 1,814 1,815 3,838 1,842 4,844 1,846 4,850 37,854 1,856 6,858 3,859 1,862 1,863 1,872 4.1,875 2,877 1,879 19.667,880 14.017,881 7.861,882 4.35,884 3.545,885 1.437,886 0.964,887 8.705,888 11.661,889 3.951,890 4.549,891 4.968,892 5.486,893 5.979,894 6.102,895 6.499,896 6.833,897 7.231,898 7.58,899 0.909,900 52,901 13.95,903 6.082,904 7.712,905 26.502,907 21.758,909 2.212,910 81.833,914 388.446,915 161.664,916 89.122,918 55.313,920 5.807,921 155.857,922 443.759,923 89.122,924 35.301,925 15.979,926 98.022,927 89.655,928 74.686,929 4.227,930 376.675,932 388.446,933 244.979,934 55.313,935 5.807,937 235.422,938 208.337,941 117.777,942 93.631,943 39.378,945 388.446,946 144.435,947 161.664,949 5.807,950 388.446,951 35.699,952 123.283,953 52.426,954 88.884,955 388.446,956 144.435,957 161.664,959 0.591,960 0.311,961 0.164,962 0.083,963 26,964 12,965 0.145,966 11,968 1,969 4.817,970 337.331,972 23,973 175.995,978 1,979 27.337,980 11.782,981 8.141,983 144.435,984 16.084,985 8.979,989 4.288,991 52.426,992 694.546,993 51,996 -3.654,998 25.467,1005 72.923,1006 82.766,1007 0.259,1008 0.587,1009 0.769,1010 0.834,1011 0.841,1012 0.841,1013 5.212,1014 1.93,1015 6.125,1016 6.721,1017 4.745,1018 5.236,1019 1.406,1020 6.946,1021 4.636,1022 6.444,1023 1.625,1024 7.698,1025 5.645,1026 4.575,1027 5.286,1028 0.325,1029 8.148,1030 4.397,1031 7.784,1032 1.414,1033 9.383,1034 4.64,1035 6.428,1036 7.476,1037 0.977,1038 11.101,1039 6.196,1040 9.161,1041 1.353,1042 11.138,1043 3.671,1044 7.022,1045 8.306,1046 0.268,1047 13.112,1048 6.712,1049 10.572,1050 1.114,1051 12.94,1052 3.011,1053 8.424,1054 10.069,1055 0.74,1056 15.723,1057 8.06,1058 12.008,1059 1,1060 14.777,1061 2.545,1062 9.347,1063 11.257,1064 0.188,1065 18.053,1066 8.901,1067 13.463,1068 0.942,1069 16.64,1070 2.275,1071 10.598,1072 12.868,1073 0.571,1074 20.591,1075 10.093,1076 3.462,1077 0.618,1078 18.525,1079 2.074,1080 11.672,1081 14.232,1082 0.125,1083 23.047,1084 11.084,1085 2.968,1086 12.764,1087 20.428,1088 1.372,1089 12.878,1090 15.788,1091 0.439,1092 25.577,1093 12.224,1094 2.905,1095 9.713,1096 22.346,1097 4.71,1098 14.025,1099 17.241,1100 0.082,1101 28.084,1102 13.288,1103 2.674,1104 8.997,1105 24.277,1106 3.92,1107 15.225,1108 18.78,1109 0.334,1110 30.617,1111 14.416,1112 2.541,1113 7.669,1114 26.219,1115 3.635,1116 16.408,1117 20.277,1118 0.054,1119 33.145,1120 15.518,1121 2.427,1122 7.068,1123 28.169,1124 3.424,1125 17.614,1126 21.814,1127 0.252,1128 35.684,1129 16.648,1130 2.282,1131 6.985,1132 30.127,1133 3.019,1134 18.818,1135 23.334,1136 0.035,1137 38.221,1138 17.771,1139 23005,1140 35731,1141 26.118,1142 47.466,1143 59.697,1144 60.566,1145 59.67,1146 59.577,1147 59.554,1148 75.473,1149 4.92,1150 172.829,1151 56.49,1152 5.834,1153 6.691,1154 7.013,1155 5.484,1156 5.462,1157 7.71,1158 1.72,1159 20.441,1160 5.215,1161 20.779,1162 1.492,1163 1.514,1164 1.492,1165 1.489,1166 1.489,1167 1.887,1168 0.123,1169 4.321,1170 1.412,1171 4.095,1172 4.093,1173 4.737,1174 4.071,1175 7.717,1176 3.99,1177 3.952,1178 3.981,1179 3.925,1180 3.844,1181 6.999,1182 3.846,1183 3.856,1184 3.921,1185 3.803,1186 3.706,1187 5.025,1188 3.71,1189 3.819,1190 3.86,1191 3.714,1192 3.678,1193 4.832,1194 3.675,1195 3.721,1196 3.775,1197 3.664,1198 3.604,1199 4.699,1200 3.591,1201 3.509,1202 3.502,1203 3.491,1204 3.414,1205 4.406,1206 3.344,1207 3.405,1208 3.466,1209 3.252,1210 3.207,1211 4.367,1212 3.205,1213 3.19,1214 3.278,1215 3.055,1216 2.976,1217 4.255,1218 2.989,1219 0.122,1220 0.117,1221 0.184,1222 0.11,1223 0.087,1224 4.875,1225 0.118,1226 4.691,1227 0.022,1228 7.355,1229 0.319,1230 4.393,1231 0.08,1232 3.462,1233 4.71,1234 0.86,1235 12.764,1236 3.215,1237 1.972,1238 1.975,1239 2.011,1240 2.071,1241 1.224,1242 2.091,1243 1.892,1244 1.865,1245 1.989,1246 2.016,1247 1.211,1248 2.017,1249 1.774,1250 1.735,1251 1.955,1252 1.937,1253 1.152,1254 1.942,1255 1.71,1256 1.656,1257 1.868,1258 1.868,1259 1.108,1260 1.881,1261 1.59,1262 1.516,1263 1.86,1264 1.821,1265 1.058,1266 1.828,1267 1.577,1268 1.507,1269 1.824,1270 1.751,1271 0.954,1272 1.793,1273 1.358,1274 1.384,1275 1.511,1276 1.52,1277 0.787,1278 1.57,1279 1.206,1280 1.136,1281 1.423,1282 1.475,1283 0.553,1284 1.485,1285 4.394,1287 5.733,1288 2.398,1289 7.236,1290 4.443,1291 8.815,1292 6.26,1293 10.435,1295 7.312,1301 6.521,1303 9.113,1304 5.877,1307 2.425,1308 -0.579,1312 44.362,1313 117.093,1314 265.024,1315 347.553,1316 377.063,1317 379.818,1318 379.818,1319 82.179,1320 8.116,1321 108.48,1322 116.86,1323 23,1324 12.668,1325 4.392,1326 3.585,1327 65.257,1328 211,1329 223,1330 0.146,1331 277.729,1332 480.64,1333 669.419,1334 46497,1336 26.468,1337 0.715,1338 0.614,1339 26.718,1340 22.73,1341 17.571,1342 0.439,1343 0.351,1344 12.501,1345 16.151,1346 11.917,1347 9.999,1348 18.393,1349 14.027,1350 17.312,1351 0.304,1352 0.21,1353 18.598,1354 11.963,1355 12.314,1356 0.187,1357 0.115,1358 13.49,1359 7.56,1360 10.431,1361 0.124,1362 0.065,1363 11.676,1364 5.495,1365 7.585,1366 0.079,1367 0.033,1368 8.295,1369 3.138,1370 0.239,1371 118.193,1372 0.196,1373 34.67,1374 0.374,1375 194,1376 540.001,1377 250.97,1378 544.362,1379 743.53,1380 504,1381 220,1382 527.459,1383 286.601,1384 572.29,1385 826.19,1386 533,1387 8.921} {0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,119 47.8,124 1,135 2,142 10,143 2,144 2,145 1,146 2,152 1,158 1,168 1,172 9,175 6,178 1,180 3,183 14,188 5,193 4,196 10,200 6,205 4,208 11,213 2,216 1,218 3,221 10,224 1,225 6,230 3,233 9,239 6,244 4,247 8,252 1,253 3,256 1,258 3,261 6,266 1,269 1,270 1,271 1,274 7,278 1178,279 19.438,280 19.438,281 19.438,282 19.438,283 19.438,284 16.609,285 7.851,286 11.647,287 19.808,288 15.264,289 15.264,290 15.264,291 15.264,292 15.264,293 10.964,294 5.913,295 5.468,296 15.815,297 3.938,298 2.002,299 1.016,300 0.25,301 0.103,302 0.103,303 4.076,307 1,308 1,309 746,310 3.24,313 63.273,314 256.996,317 111.673,321 2.265,322 17.309,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 59,334 344,335 4.558,336 4.574,337 6.542,338 4.073,339 3.099,340 4.514,341 2.95,342 10.339,343 3.022,344 4.339,345 3.57,346 6.453,347 3.958,348 2.983,349 3.946,350 1.058,351 9.959,352 2.909,353 3.95,354 3.158,355 5.473,356 3.497,357 2.529,358 3.516,360 7.261,361 2.446,362 3.75,363 2.951,364 5.34,365 3.322,366 2.391,367 3.191,369 6.948,370 2.203,371 3.413,372 2.514,373 5.075,374 2.987,375 2.009,376 2.665,378 5.806,379 1.949,380 3.249,381 1.95,382 4.823,383 2.759,384 1.796,385 2.538,387 5.113,388 1.717,389 3.003,390 1.832,391 4.209,392 2.495,393 1.508,394 2.214,396 3.78,397 1.488,398 2.901,399 1.509,400 3.877,401 2.422,402 1.451,403 2.071,405 3.193,406 1.397,407 2.805,408 1.441,409 3.634,410 2.324,411 1.348,412 1.936,414 3.112,415 1.309,416 2.578,417 1.318,418 3.574,419 2.115,420 1.127,421 1.571,423 2.6,424 1.109,425 2.5,426 1.087,427 3.271,428 1.959,429 1,430 1.5,432 2.136,433 0.956,434 2.379,435 1,436 3.247,437 1.761,438 0.775,439 1.189,441 1.809,442 0.763,443 2.025,444 0.825,445 3.073,446 1.439,447 0.47,448 0.712,450 1.123,451 0.452,452 1.491,453 0.772,454 2.904,455 1.222,456 0.264,457 0.308,459 0.431,460 0.248,461 1.36,462 0.554,463 2.467,464 0.925,470 13.767,471 0.492,472 0.516,473 0.018,474 40.75,475 1.455,476 23.5,477 0.839,478 17.25,479 0.616,480 19.057,481 0.681,482 27.633,483 0.601,484 29.3,485 1.046,486 8.308,487 0.297,488 5.433,489 0.194,490 0.061,492 0.291,497 0.701,498 0.947,499 0.711,500 0.794,501 0.605,502 0.785,503 0.78,504 1.016,505 0.846,506 0.875,507 0.654,508 0.878,509 0.986,510 1.052,511 1.185,512 1.11,513 0.91,514 0.971,515 1.434,516 1.148,517 1.327,518 1.247,519 1.576,520 1.084,521 0.966,522 1.005,523 1.076,524 1.072,525 1.032,526 1.033,527 0.836,528 1.124,529 1.134,530 1.167,531 0.77,532 1.067,533 1.14,534 1.06,535 0.859,536 0.893,537 1.043,538 0.942,539 1.026,540 0.963,541 0.953,542 0.92,543 0.935,544 1.012,545 4.5,546 0.082,547 2.889,548 1.667,549 1.067,550 0.761,551 0.515,552 0.327,553 0.271,554 0.158,555 10784,556 29751,557 2.137,558 39.1,560 15,562 1,563 2,568 1.707,569 2.049,570 3.561,571 0.212,573 1,578 72.918,579 1.585,580 3.522,581 4.508,582 5.273,583 5.42,584 5.42,585 3.067,586 4.084,587 4.775,588 3.752,589 1418.13,590 8.285,591 19263.3,593 1,595 1,596 254.084,597 1.198,598 4.76,599 0.145,600 0.005,601 0.069,602 0.04,603 0.029,604 0.022,605 0.015,606 0.01,607 0.01,608 0.008,609 0.352,610 0.17,611 1,612 0.787,613 142.529,614 0.024,615 0.09,616 0.053,617 0.077,618 -0.061,619 0.052,620 0.034,621 0.019,622 0.048,623 0.062,624 0.008,625 0.006,626 -0.072,627 -0.044,628 -0.017,629 -0.004,630 0.01,631 0.003,632 -0.161,633 -0.116,634 -0.125,635 -0.148,636 -0.173,637 -0.136,638 -0.034,639 -0.029,640 -0.055,641 -0.057,642 -0.078,643 -0.058,644 0.015,645 -0.151,646 -0.111,647 -0.154,648 0.034,649 -0.077,650 -0.097,651 -0.08,652 0.008,653 0.003,654 -0.037,655 0.023,656 0.023,657 0.044,658 -0.067,659 -0.022,660 0.002,661 -0.055,662 1.758,663 5.075,664 0.75,665 31.077,666 1,667 1.109,668 3.15,669 9.92,670 0.727,671 3.466,672 3.761,673 4.043,674 4.29,675 4.477,676 4.511,677 4.663,678 4.82,679 4.92,680 5.043,681 7.218,682 0.689,683 386.51,684 3.466,685 4.99,686 5.838,687 6.703,688 7.566,689 8.438,690 9.307,691 10.184,692 11.057,693 11.936,694 8.7,701 1,702 1,704 2,708 2,709 11,710 2,711 1,714 5,716 22,723 1,735 46,737 24,738 2,739 31,741 49,742 22,743 18,744 5,745 7,746 3,748 4,749 5,762 21,763 1,767 2,772 1,774 2,776 1,780 1,783 18,784 4,785 2,786 6,787 1,792 4,796 0.75,797 1,806 1,808 1,814 1,815 3,818 1,833 2,842 3,843 1,844 1,846 1,850 28,858 1,860 1,872 2.2,875 1,879 13.667,880 8.567,881 6.278,882 2.606,884 4.876,885 1.631,886 1.026,887 5.448,888 12.607,889 3.807,890 4.422,891 5.057,892 5.659,893 6.184,894 6.473,895 6.95,896 7.425,897 7.784,898 8.249,899 1,900 42,901 10.281,903 4.312,904 7.685,905 19.632,907 15.861,909 2.185,910 61.167,913 1,914 188.338,915 184.601,916 68.122,918 25.145,920 32.22,921 152.381,922 213.483,923 68.122,924 8.396,925 18.011,926 113.715,927 75.069,928 39.471,929 2.757,930 208.786,932 188.338,933 220.503,934 25.145,935 32.22,937 188.338,938 25.145,941 48.622,942 119.48,943 52.401,944 32.22,945 188.338,946 93.267,947 184.601,950 188.338,951 53.442,952 131.159,953 34.674,954 58.593,955 188.338,956 93.267,957 184.601,959 0.57,960 0.34,961 0.184,962 0.096,963 20,964 8,965 0.102,966 5,967 1,968 1.095,969 4.104,970 238.128,971 0.095,972 21,973 132.606,975 1,979 18.33,980 8.322,981 4.128,982 1.916,983 76.604,984 21.257,985 8.709,986 3.076,989 4.421,991 34.674,992 466.205,993 44,998 12.075,1000 3.931,1002 -0.092,1005 45.996,1006 51.029,1007 0.287,1008 0.638,1009 0.816,1010 0.955,1011 0.981,1012 0.981,1013 5.007,1014 1.451,1015 5.796,1016 3.78,1017 4.443,1018 5.109,1019 3.027,1020 6.581,1021 4.374,1022 6.215,1023 1.348,1024 7.334,1025 3.193,1026 3.892,1027 4.796,1029 7.434,1030 3.786,1031 7.513,1032 1.127,1033 8.974,1034 3.112,1035 6.004,1036 7.347,1037 5.043,1038 10.536,1039 5.873,1040 8.853,1041 1,1042 10.677,1043 2.6,1044 6.33,1045 7.933,1047 12.263,1048 6.166,1049 10.226,1050 0.775,1051 12.422,1052 2.136,1053 7.856,1054 9.887,1055 7.187,1056 14.856,1057 7.673,1058 11.624,1059 0.47,1060 14.196,1061 1.809,1062 8.595,1063 10.918,1065 16.934,1066 8.384,1067 13.042,1068 0.264,1069 15.991,1070 1.123,1071 9.877,1072 12.61,1073 9.348,1074 19.354,1075 9.647,1076 3.099,1078 17.802,1079 0.431,1080 10.814,1081 13.87,1083 21.575,1084 10.559,1085 2.983,1086 10.339,1087 19.625,1089 11.993,1090 15.445,1091 11.511,1092 23.933,1093 11.719,1094 2.529,1095 9.959,1096 21.458,1097 4.514,1098 13.024,1099 16.821,1101 26.212,1102 12.725,1103 2.391,1104 7.261,1105 23.298,1106 3.946,1107 14.161,1108 18.345,1109 13.675,1110 28.547,1111 13.841,1112 2.009,1113 6.948,1114 25.144,1115 3.516,1116 15.236,1117 19.78,1119 30.851,1120 14.892,1121 1.796,1122 5.806,1123 26.995,1124 3.191,1125 16.357,1126 21.285,1127 15.838,1128 33.179,1129 15.992,1130 1.508,1131 5.113,1132 28.85,1133 2.665,1134 17.453,1135 22.75,1137 35.493,1138 17.063,1139 10198,1140 17078,1141 21.266,1142 33.455,1143 46.139,1144 49.301,1145 47.116,1146 45.573,1147 45.498,1148 63.743,1149 8.017,1150 127.22,1151 43.936,1152 5.353,1153 6.574,1154 6.344,1155 5.207,1156 5.099,1157 7.514,1158 5.9,1159 17.118,1160 5.022,1161 10.021,1162 1.488,1163 1.59,1164 1.52,1165 1.47,1166 1.468,1167 2.056,1168 0.259,1169 4.104,1170 1.417,1171 4.114,1172 4.149,1173 4.161,1174 4.04,1175 7.429,1176 4.035,1177 3.914,1178 3.935,1179 3.946,1180 3.861,1181 5.09,1182 3.851,1183 3.863,1184 3.903,1185 3.805,1186 3.767,1187 4.896,1188 3.77,1189 3.473,1190 3.541,1191 3.551,1192 3.386,1193 4.699,1194 3.366,1195 3.449,1196 3.502,1197 3.342,1198 3.201,1199 4.362,1200 3.226,1201 3.18,1202 3.244,1203 3.169,1204 3.071,1205 4.18,1206 3.044,1207 2.988,1208 3.043,1209 2.982,1210 2.85,1211 4.151,1212 2.82,1213 2.919,1214 2.964,1215 2.789,1216 2.789,1217 3.826,1218 2.775,1219 0.147,1220 0.148,1221 0.211,1222 0.131,1223 0.1,1224 4.558,1225 0.146,1226 4.574,1227 0.095,1228 6.542,1229 0.334,1230 4.073,1231 0.097,1232 3.099,1233 4.514,1234 2.95,1235 10.339,1236 3.022,1237 1.957,1238 1.944,1239 2.015,1240 2.012,1241 1.18,1242 2.024,1243 1.883,1244 1.86,1245 1.98,1246 1.978,1247 1.081,1248 1.983,1249 1.831,1250 1.798,1251 1.936,1252 1.928,1253 0.976,1254 1.933,1255 1.509,1256 1.46,1257 1.681,1258 1.735,1259 0.691,1260 1.705,1261 1.385,1262 1.307,1263 1.646,1264 1.679,1265 0.679,1266 1.683,1267 1.107,1268 1.035,1269 1.297,1270 1.345,1271 0.324,1272 1.347,1273 0.986,1274 0.963,1275 1.196,1276 1.196,1277 0.241,1278 1.196,1279 0.95,1280 0.898,1281 1.109,1282 1.042,1283 0.222,1284 1.089,1285 4.143,1287 5.442,1288 2.398,1289 6.942,1290 4.727,1291 8.53,1292 6.823,1293 10.163,1295 1.638,1303 2.686,1305 1.55,1312 31.675,1313 72.918,1314 162.004,1315 207.355,1316 242.574,1317 249.329,1318 249.329,1319 38.591,1320 7.731,1321 70.67,1322 95.97,1323 23,1324 12.474,1325 4.644,1326 3.807,1327 42.629,1328 124,1329 118,1330 0.172,1331 199.404,1332 335.74,1333 478.306,1334 26432,1336 19.347,1337 0.691,1338 0.573,1339 19.7,1340 16.033,1341 13.742,1342 0.443,1343 0.31,1344 8.792,1345 12.917,1346 8.494,1347 7.093,1348 14.15,1349 9.623,1350 11.851,1351 0.282,1352 0.171,1353 12.52,1354 7.197,1355 10.313,1356 0.184,1357 0.095,1358 11.07,1359 5.317,1360 8.487,1361 0.118,1362 0.053,1363 9.367,1364 3.829,1365 6.761,1366 0.078,1367 0.031,1368 7.657,1369 2.697,1370 0.274,1371 89.029,1372 0.217,1373 27.141,1374 0.457,1375 146,1376 406.552,1377 180.387,1378 425.706,1379 591.47,1380 400,1381 171,1382 426.704,1383 201.784,1384 452.166,1385 657.62,1386 427,1387 5} {0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,119 43.8,124 1,132 1,142 9,143 1,144 5,145 1,146 1,158 1,159 1,172 4,175 6,178 3,179 1,180 4,183 7,187 1,188 3,191 1,193 5,196 6,199 1,200 4,205 4,208 4,212 1,213 5,216 2,218 6,221 4,225 2,233 4,238 1,239 5,242 1,244 5,247 8,253 2,258 2,261 4,266 4,269 1,271 2,274 2,278 1830,279 20.806,280 20.806,281 20.806,282 20.806,283 20.806,284 18.374,285 27.261,286 12.092,287 21.506,288 16.717,289 16.717,290 16.717,291 16.717,292 16.717,293 12.942,294 35.352,295 5.698,296 17.916,297 3.62,298 1.75,299 1.1,300 0.506,301 0.406,302 0.365,303 4.178,304 1,307 1,308 1,309 952,310 4.416,314 372.995,321 2.451,322 58.279,325 1,326 0.83,327 1,328 0.4,330 1,331 1,332 0.75,333 73.833,334 457,335 4.547,336 4.475,337 7.24,338 4.244,339 3.377,340 4.049,341 3.825,342 12.181,343 2.944,344 4.229,345 3.563,346 6.062,347 3.837,348 2.866,349 3.823,350 1.656,351 8.764,352 2.785,353 4.066,354 3.555,355 5.644,356 3.683,357 2.72,358 3.635,359 1.058,360 7.822,361 2.609,362 3.875,363 3.063,364 5.565,365 3.519,366 2.58,367 3.161,368 0.86,369 7.541,370 2.405,371 3.704,372 2.994,373 5.413,374 3.332,375 2.4,376 3.009,377 0.247,378 7.063,379 2.229,380 3.547,381 2.575,382 5.211,383 3.124,384 2.195,385 2.804,387 6.337,388 2.036,389 3.361,390 2.395,391 4.965,392 2.936,393 2.011,394 2.613,396 5.825,397 1.806,398 3.175,399 2.246,400 4.578,401 2.71,402 1.738,403 2.359,405 4.786,406 1.597,407 2.847,408 1.789,409 4.063,410 2.351,411 1.412,412 1.947,414 3.427,415 1.315,416 2.583,417 1.433,418 4.032,419 2.114,420 1.154,421 1.616,423 3.137,424 1.089,425 2.568,426 1.187,427 3.473,428 2.075,429 1.102,430 1.566,432 2.48,433 1.069,434 2.5,435 1.086,436 3.414,437 2,438 1,439 1.5,441 2.275,442 1,443 1.544,444 1,445 3.068,446 1.223,447 0.316,448 0.37,450 0.808,451 0.276,452 1.471,453 0.86,454 2.898,455 1.174,456 0.188,457 0.223,459 0.331,460 0.183,461 1.444,462 0.704,463 2.828,464 1.024,465 0.136,466 0.167,468 0.249,469 0.108,470 14.671,471 0.458,472 1.021,473 0.032,474 43.5,475 1.359,476 22.5,477 0.703,478 21,479 0.656,480 23.394,481 0.731,482 35.129,483 0.732,484 38.162,485 1.193,486 9.153,487 0.286,488 5.998,489 0.187,490 0.187,491 0.034,492 0.307,494 3,497 0.672,498 1.018,499 0.554,500 0.944,501 0.612,502 0.824,503 0.517,504 0.801,505 0.611,506 0.927,507 0.43,508 0.908,509 0.935,510 0.909,511 0.936,512 0.987,513 0.751,514 0.982,515 1.088,516 1.107,517 1.071,518 1.179,519 1.047,520 1.061,521 0.873,522 0.815,523 0.804,524 0.914,525 1.013,526 1.01,527 1.047,528 0.881,529 0.996,530 0.952,531 1.056,532 1.054,533 0.365,534 0.644,535 0.656,536 0.919,537 0.347,538 1.007,539 0.884,540 0.873,541 0.969,542 0.973,543 0.846,544 1.059,545 9,546 0.178,547 3.556,548 2.563,549 1.716,550 0.979,551 0.891,552 0.307,553 0.411,554 0.279,555 15376,556 65351,557 1.968,558 33.3,560 12,562 1,563 3,568 1.738,569 1.803,570 3.763,571 0.946,573 1,578 94.33,579 1.965,580 3.835,581 4.485,582 5.079,583 5.179,584 5.22,585 3.254,586 4.563,587 4.974,588 4.01,589 1989.05,590 8.658,591 31334,596 268.078,597 1.663,598 4.899,599 0.265,600 0.007,601 0.074,602 0.053,603 0.038,604 0.024,605 0.026,606 0.009,607 0.014,608 0.01,609 0.521,610 0.33,611 0.88,612 1.042,613 172.898,614 -0.085,615 -0.089,616 -0.005,617 -0.02,618 -0.105,619 0.022,620 0.329,621 0.244,622 0.097,623 0.014,624 0.36,625 -0.038,626 -0.142,627 -0.113,628 -0.055,629 -0.044,630 -0.061,631 -0.038,632 -0.065,633 -0.162,634 0.01,635 -0.189,636 -0.046,637 -0.097,638 0.026,639 0.089,640 -0.036,641 -0.003,642 -0.075,643 -0.064,644 -0.179,645 -0.018,646 -0.109,647 0.022,648 -0.185,649 -0.009,650 0.46,651 0.153,652 0.226,653 0.031,654 0.427,655 0.014,656 -0.126,657 -0.039,658 -0.089,659 -0.011,660 -0.106,661 -0.021,662 5.892,663 5.121,664 0.563,665 37.637,666 1.048,667 1.144,668 2.279,669 5.192,670 0.691,671 3.555,672 3.892,673 4.06,674 4.263,675 4.431,676 4.394,677 4.533,678 4.489,679 4.554,680 4.605,681 8.626,682 0.696,683 464.86,684 3.555,685 5.106,686 5.927,687 6.801,688 7.638,689 8.511,690 9.353,691 10.224,692 11.071,693 11.94,694 8.3,701 3,704 1,709 10,710 1,714 7,716 18,723 1,733 1,734 1,735 48,737 20,738 2,739 34,741 50,742 21,743 17,744 5,745 7,746 1,748 3,749 3,750 1,753 1,754 1,759 1,762 19,763 2,767 2,772 2,776 2,780 1,781 3,783 16,784 10,785 3,786 11,787 1,792 4,796 1,797 3,808 1,815 3,842 3,846 1,847 1,848 3,850 32,858 3,859 1,863 1,871 4,872 6.3,875 2,877 1,879 17.75,880 8.855,881 6.972,882 2.537,884 3.315,885 1.441,886 0.976,887 7.36,888 10.836,889 3.829,890 4.413,891 4.896,892 5.413,893 5.919,894 5.977,895 6.322,896 6.484,897 6.755,898 7.102,899 1,900 48,901 12.345,903 5.799,904 8.449,905 20.963,907 16.414,909 2.949,910 94.361,914 153.024,915 144.913,916 70.818,917 39.149,918 61.29,919 44.88,921 144.913,922 253.463,923 115.698,924 8.396,925 54.032,926 85.286,927 83.551,928 90.371,929 4.276,930 141.253,931 46.908,932 153.024,933 215.731,934 106.17,935 39.149,937 153.024,938 106.17,941 73.596,942 125.35,943 55.934,945 197.905,946 132.108,947 184.062,950 160.784,951 34.424,952 102.73,953 54.032,954 162.104,955 153.024,956 176.988,957 184.062,959 0.589,960 0.327,961 0.166,962 0.088,963 21,964 11,965 0.1,966 5,968 1,969 4.301,970 271.251,972 18,973 151.245,979 23.544,980 10.003,981 6.443,983 176.988,984 13.766,985 3.94,989 -0.192,991 54.032,992 514.074,993 45,998 23.764,1002 -1.095,1005 50.32,1006 54.906,1007 0.352,1008 0.687,1009 0.803,1010 0.909,1011 0.927,1012 0.935,1013 5.072,1014 1.738,1015 5.953,1016 5.825,1017 4.575,1018 5.1,1019 3.38,1020 6.765,1021 4.44,1022 6.3,1023 1.412,1024 7.526,1025 4.786,1026 4.369,1027 4.966,1028 3.949,1029 7.861,1030 4.067,1031 7.618,1032 1.154,1033 9.204,1034 3.427,1035 6.225,1036 7.25,1037 5.479,1038 10.845,1039 5.94,1040 8.965,1041 1.102,1042 10.948,1043 3.137,1044 6.77,1045 7.816,1046 6.701,1047 12.764,1048 6.297,1049 10.339,1050 1,1051 12.737,1052 2.48,1053 8.176,1054 9.65,1055 8.067,1056 15.376,1057 7.698,1058 11.73,1059 0.316,1060 14.559,1061 2.275,1062 9.059,1063 10.553,1064 9.391,1065 17.645,1066 8.396,1067 13.137,1068 0.188,1069 16.409,1070 0.808,1071 10.306,1072 12.182,1073 10.736,1074 20.162,1075 9.597,1076 3.377,1077 0.136,1078 18.281,1079 0.331,1080 11.352,1081 13.275,1082 12.075,1083 22.573,1084 10.466,1085 2.866,1086 12.181,1087 20.173,1088 0.249,1089 12.548,1090 14.794,1091 13.417,1092 25.07,1093 11.579,1094 2.72,1095 8.764,1096 22.08,1097 4.049,1098 13.671,1099 15.999,1100 14.758,1101 27.535,1102 12.536,1103 2.58,1104 7.822,1105 24.001,1106 3.823,1107 14.857,1108 17.455,1109 16.1,1110 30.03,1111 13.611,1112 2.4,1113 7.541,1114 25.933,1115 3.635,1116 16.02,1117 18.729,1118 17.441,1119 32.516,1120 14.614,1121 2.195,1122 7.063,1123 27.875,1124 3.161,1125 17.21,1126 20.15,1127 18.783,1128 35.013,1129 15.673,1130 2.011,1131 6.337,1132 29.823,1133 3.009,1134 18.393,1135 21.465,1136 20.124,1137 37.507,1138 16.701,1139 15123,1140 31467,1141 21.671,1142 33.148,1143 51.216,1144 52.199,1145 52.202,1146 50.72,1147 50.392,1148 65.683,1149 15.294,1150 146.047,1151 46.9,1152 5.419,1153 6.475,1154 6.794,1155 5.319,1156 5.377,1157 7.049,1158 5.335,1159 19.593,1160 4.944,1161 20.629,1162 1.506,1163 1.535,1164 1.535,1165 1.492,1166 1.482,1167 1.932,1168 0.45,1169 4.296,1170 1.379,1171 3.988,1172 4.014,1173 4.047,1174 3.891,1175 8.513,1176 3.896,1177 3.924,1178 3.946,1179 3.912,1180 3.836,1181 7.999,1182 3.842,1183 3.837,1184 3.871,1185 3.792,1186 3.731,1187 7.999,1188 3.741,1189 3.482,1190 3.542,1191 3.491,1192 3.207,1193 7.432,1194 3.245,1195 3.442,1196 3.496,1197 3.387,1198 3.162,1199 7.428,1200 3.209,1201 3.276,1202 3.319,1203 3.356,1204 2.98,1205 4.97,1206 3.031,1207 3.003,1208 3.05,1209 3.172,1210 2.805,1211 4.902,1212 2.81,1213 2.947,1214 2.997,1215 2.861,1216 2.786,1217 4.739,1218 2.774,1219 0.134,1220 0.132,1221 0.213,1222 0.125,1223 0.099,1224 4.547,1225 0.119,1226 4.475,1227 0.113,1228 7.24,1229 0.358,1230 4.244,1231 0.087,1232 3.377,1233 4.049,1234 3.825,1235 12.181,1236 2.944,1237 1.911,1238 1.889,1239 1.999,1240 2.036,1241 1.099,1242 2.023,1243 1.886,1244 1.867,1245 1.957,1246 1.995,1247 1.065,1248 1.985,1249 1.8,1250 1.77,1251 1.896,1252 1.931,1253 0.937,1254 1.924,1255 1.382,1256 1.309,1257 1.674,1258 1.68,1259 0.677,1260 1.678,1261 1.278,1262 1.237,1263 1.373,1264 1.597,1265 0.329,1266 1.533,1267 1.076,1268 1.038,1269 1.205,1270 1.406,1271 0.258,1272 1.321,1273 0.961,1274 0.904,1275 1.196,1276 1.199,1277 0.238,1278 1.194,1279 0.887,1280 0.845,1281 1.181,1282 1.11,1283 0.218,1284 1.107,1285 4.234,1287 5.565,1289 7.072,1291 8.658,1293 10.285,1295 1.488,1296 5.568,1297 38.817,1303 7.288,1304 5.658,1308 -4.642,1312 33.422,1313 94.33,1314 184.065,1315 215.284,1316 243.814,1317 248.568,1318 250.568,1319 91.208,1320 7.521,1321 92.35,1322 92.35,1323 18,1324 12.488,1325 4.392,1326 3.585,1327 61.745,1328 169,1329 152,1330 0.177,1331 208.921,1332 376.83,1333 501.528,1334 20990,1335 8.3,1336 23.303,1337 0.728,1338 0.538,1339 21.303,1340 17.213,1341 15.151,1342 0.446,1343 0.278,1344 8.887,1345 14.02,1346 8.726,1347 7.21,1348 14.229,1349 9.441,1350 14.506,1351 0.302,1352 0.141,1353 12.882,1354 6.761,1355 10.793,1356 0.189,1357 0.077,1358 10.512,1359 4.398,1360 8.636,1361 0.123,1362 0.04,1363 7.83,1364 2.808,1365 6.703,1366 0.081,1367 0.021,1368 6.322,1369 1.759,1370 0.289,1371 100.132,1372 0.215,1373 30.681,1374 0.452,1375 164,1376 766.387,1377 212.555,1378 681.716,1379 873.99,1380 628,1381 187,1382 586.788,1383 223.738,1384 579.809,1385 860.84,1386 543,1387 5} {0 CHEMBL1375640,1 1.852,2 9.5,3 3.44,4 11.836,5 89.112,6 9.51,7 0.708,8 3.682,9 3.781,10 3.504,11 3.314,12 4.882,13 3.277,14 4.143,15 4.278,16 3.912,17 3.661,18 5.35,19 3.603,20 4.267,21 4.418,22 3.958,23 3.695,24 5.454,25 3.621,26 4.213,27 4.356,28 3.748,29 3.664,30 5.31,31 3.537,32 4.19,33 4.365,34 3.688,35 3.588,36 5.257,37 3.467,38 4.233,39 4.452,40 3.745,41 3.519,42 5.332,43 3.386,44 4.015,45 4.225,46 3.359,47 3.335,48 5.051,49 3.222,50 3.869,51 4.08,52 3.198,53 3.185,54 4.961,55 3.081,56 0.069,57 0.53,58 4.674,59 2.908,60 8.069,61 3.133,62 0.219,63 0.828,64 10.84,65 5.123,66 19.32,67 5.551,68 0.396,69 0.896,70 17.961,71 6.013,72 27.845,73 5.8,74 0.228,75 0.838,76 18.032,77 6.743,78 18.997,79 6.778,80 0.243,81 0.829,82 17.508,83 5.906,84 22.282,85 6.471,86 0.389,87 0.842,88 23.464,89 6.947,90 31.28,91 7.412,92 0.225,93 0.672,94 13.627,95 4.835,96 22.335,97 5.267,98 0.247,99 0.545,100 11.148,101 4.123,102 22.045,103 5.015,104 10,105 33,106 0.336,107 0.695,108 0.815,109 0.875,110 0.886,111 0.886,112 3.146,113 0.969,114 -3.56,115 -3.53,116 -3.37,119 42.9,120 1,125 1,142 5,144 2,145 1,146 2,150 1,152 1,161 1,163 1,164 1,165 1,172 3,174 1,175 5,177 2,178 2,183 3,187 1,188 5,196 5,199 1,200 3,205 1,208 2,210 1,213 3,218 1,221 1,223 1,224 2,225 5,227 1,228 1,230 1,233 3,235 1,239 1,247 2,252 1,253 1,255 1,256 1,261 4,266 3,274 4,278 620,279 14.792,280 14.792,281 14.792,282 14.792,283 14.792,284 12.629,285 13.497,286 8.785,287 15.423,288 11.849,289 11.849,290 11.849,291 11.849,292 11.849,293 8.696,294 14.329,295 4.189,296 13,297 3.277,298 1.3,299 0.639,300 0.307,301 0.25,302 0.25,303 3.826,304 1,306 1,307 1,308 1,309 447,310 2.345,313 60.645,314 150.66,321 1.545,322 18.854,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 47.333,334 209,335 4.447,336 3.273,337 6.506,338 3.998,339 3.078,340 4.151,341 1.151,342 10.196,343 2.83,344 4.161,345 3.145,346 6.023,347 3.703,348 2.796,349 3.774,351 8.558,352 2.501,353 3.919,354 2.673,355 5.449,356 3.418,357 2.509,358 3.503,360 7.198,361 2.274,362 3.418,363 2.424,364 5.052,365 3.016,366 2.107,367 2.694,369 5.982,370 1.898,371 3.065,372 2.051,373 4.68,374 2.672,375 1.734,376 2.243,378 4.789,379 1.617,380 2.901,381 1.892,382 4.197,383 2.438,384 1.499,385 2.072,387 3.857,388 1.41,389 2.841,390 1.548,391 3.868,392 2.338,393 1.414,394 1.972,396 2.983,397 1.228,398 2.683,399 1.261,400 3.604,401 2.16,402 1.222,403 1.765,405 2.848,406 1.14,407 2.336,408 1.031,409 3.467,410 1.713,411 0.873,412 1.261,414 2.358,415 0.719,416 1.845,417 0.84,418 3.16,419 1.487,420 0.614,421 0.736,423 1.443,424 0.525,425 1.087,426 0.419,427 2.538,428 0.66,429 -0.165,430 -0.196,432 -0.366,433 -0.114,434 0.954,435 -0.219,436 2.393,437 0.532,438 -0.391,439 -0.498,441 -0.876,442 -0.361,443 0.76,444 -0.248,445 2,446 0.368,447 -0.543,448 -0.66,450 -1.397,451 -0.49,452 0.66,453 -0.384,454 2,455 0.202,456 -0.71,457 -0.89,459 -1.77,460 -0.596,461 0.469,462 -0.722,463 1.764,464 0.049,465 -0.897,466 -1.193,468 -2.262,469 -0.823,470 10.981,471 0.499,472 0.541,473 0.025,474 31.5,475 1.432,476 17,477 0.773,478 14.5,479 0.659,480 15.925,481 0.724,482 22.619,483 0.646,484 19.411,485 0.882,486 6.147,487 0.279,488 4.484,489 0.204,490 0.147,492 0.319,497 0.87,498 1.149,499 0.606,500 0.803,501 0.994,502 0.772,503 0.939,504 0.972,505 0.678,506 0.822,507 0.677,508 0.771,509 1.195,510 0.973,511 1.108,512 1.074,513 1.04,514 0.92,515 1.176,516 1.247,517 1.425,518 1.447,519 1.019,520 1.291,521 1.084,522 1.206,523 1.219,524 1.238,525 1.143,526 1.172,527 0.881,528 0.907,529 0.853,530 0.96,531 0.726,532 0.885,533 1.174,534 0.906,535 0.989,536 0.926,537 1.236,538 0.981,539 0.81,540 0.762,541 0.785,542 0.769,543 0.844,544 0.922,545 4.5,546 0.083,547 2.444,548 1.569,549 1.099,550 0.57,551 0.31,552 0.315,553 0.147,554 0.084,555 5193,556 17262,557 2.07,558 37.1,560 7,562 1,563 2,564 3,568 1.642,569 1.941,570 3.243,571 0.393,573 1,575 1,578 64.816,579 1.852,580 3.83,581 4.49,582 4.822,583 4.879,584 4.879,585 2.704,586 4.459,587 4.433,588 3.403,589 785.996,590 7.598,591 8790.84,592 1,593 1,594 1,595 1,596 179.525,597 1.395,598 4.392,599 0.188,600 0.007,601 0.074,602 0.051,603 0.042,604 0.024,605 0.013,606 0.018,607 0.009,608 0.006,609 0.431,610 0.33,611 1,612 0.595,613 102.018,614 -0.109,615 -0.076,616 0.022,617 0.033,618 -0.221,619 0.032,620 0.05,621 0.067,622 0.127,623 0.114,624 0.14,625 0.105,626 -0.011,627 0.088,628 -0.057,629 -0.04,630 -0.059,631 -0.022,632 -0.169,633 -0.249,634 -0.303,635 -0.322,636 -0.116,637 -0.331,638 -0.16,639 -0.216,640 -0.165,641 -0.204,642 -0.216,643 -0.203,644 0.161,645 0.084,646 0.189,647 0.138,648 0.233,649 0.146,650 -0.223,651 0.086,652 -0.089,653 0.033,654 -0.249,655 -0.008,656 0.143,657 0.151,658 0.031,659 0.106,660 0.118,661 0.069,662 1.417,663 2.209,664 0.773,665 17.545,666 1.016,667 1.118,668 2.328,669 5.422,670 0.737,671 3.219,672 3.526,673 3.761,674 3.989,675 4.127,676 4.094,677 4.143,678 4.263,679 4.277,680 4.248,681 5.802,682 0.699,683 332.84,684 3.219,685 4.745,686 5.58,687 6.444,688 7.295,689 8.163,690 9.021,691 9.891,692 10.752,693 11.624,694 11.4,698 1,704 3,709 6,710 3,713 1,714 7,716 17,727 1,733 1,734 1,735 35,737 17,738 1,739 24,741 37,742 15,743 13,744 2,745 4,748 3,749 3,750 1,754 1,762 13,763 2,779 1,780 1,783 13,784 5,785 2,786 7,787 2,792 4,796 1,797 1,809 1,814 1,815 2,842 3,844 1,846 1,847 1,850 22,851 1,856 1,859 1,866 1,871 1,872 2.9,877 1,879 11.333,880 6.66,881 4.833,882 1.901,884 3.018,885 1.447,886 0.997,887 4.549,888 9.774,889 3.512,890 4.131,891 4.69,892 5.242,893 5.664,894 5.77,895 6.08,896 6.454,897 6.723,898 6.957,899 1,900 31,901 8.044,903 3.335,904 7.755,905 15.187,907 12.032,909 2.255,910 49.611,914 129.482,915 119.569,916 83.254,917 39.149,918 11,920 31.278,921 88.291,922 179.631,923 83.254,924 8.825,925 4.592,926 80.278,927 63.057,928 34.305,929 3.257,930 148.989,931 39.149,932 129.482,933 171.545,934 11,935 70.426,937 129.482,938 11,941 30.807,942 90.381,943 89.505,944 31.278,945 129.482,946 94.254,947 158.717,950 129.482,951 54.315,952 65.254,954 133.402,955 129.482,956 94.254,957 158.717,959 0.58,960 0.335,961 0.177,962 0.092,963 16,964 7,965 0.108,966 4,968 1,969 3.493,970 166.912,972 17,973 98.107,975 1,979 15.192,980 6.588,981 3.561,983 94.254,984 10.81,985 12.635,988 1.521,989 4.951,991 32.897,992 382.453,993 32.5,1005 35.553,1006 39.143,1007 0.361,1008 0.747,1009 0.875,1010 0.94,1011 0.951,1012 0.951,1013 4.721,1014 1.222,1015 5.557,1016 2.983,1017 4.205,1018 4.816,1019 1.294,1020 6.333,1021 4.019,1022 5.933,1023 0.873,1024 7.096,1025 2.848,1026 3.761,1027 4.559,1029 7.154,1030 3.445,1031 7.234,1032 0.614,1033 8.733,1034 2.358,1035 5.765,1036 7.01,1037 1.506,1038 10.236,1039 5.404,1040 8.57,1041 -0.165,1042 10.429,1043 1.443,1044 6.133,1045 7.564,1047 11.901,1048 5.623,1049 9.936,1050 -0.391,1051 12.162,1052 -0.366,1053 7.609,1054 9.469,1055 1.731,1056 14.484,1057 7.068,1058 11.325,1059 -0.543,1060 13.921,1061 -0.876,1062 8.36,1063 10.42,1065 16.506,1066 7.675,1067 12.73,1068 -0.71,1069 15.7,1070 -1.397,1071 9.614,1072 12.073,1073 1.968,1074 18.912,1075 8.891,1076 3.078,1077 -0.897,1078 17.494,1079 -1.77,1080 10.547,1081 13.229,1083 21.092,1084 9.697,1085 2.796,1086 10.196,1087 19.3,1088 -2.262,1089 11.708,1090 14.757,1091 2.214,1092 23.433,1093 10.806,1094 2.509,1095 8.558,1096 21.115,1097 4.151,1098 12.729,1099 16.024,1101 25.684,1102 11.716,1103 2.107,1104 7.198,1105 22.937,1106 3.774,1107 13.853,1108 17.49,1109 2.468,1110 28.004,1111 12.777,1112 1.734,1113 5.982,1114 24.766,1115 3.503,1116 14.916,1117 18.817,1119 30.287,1120 13.741,1121 1.499,1122 4.789,1123 26.6,1124 2.694,1125 16.026,1126 20.252,1127 2.727,1128 32.602,1129 14.781,1130 1.414,1131 3.857,1132 28.439,1133 2.243,1134 17.112,1135 21.614,1137 34.902,1138 15.775,1139 5040,1140 9323,1141 16.008,1142 25.79,1143 36.146,1144 36.493,1145 37.014,1146 35.805,1147 35.69,1148 48.341,1149 2.302,1150 100.423,1151 32.286,1152 5.282,1153 5.273,1154 6.196,1155 5.139,1156 5.078,1157 7.151,1158 2.302,1159 16.988,1160 4.83,1161 10.066,1162 1.506,1163 1.521,1164 1.542,1165 1.492,1166 1.487,1167 2.014,1168 0.096,1169 4.184,1170 1.345,1171 3.978,1172 4.003,1173 4.261,1174 3.939,1175 5.234,1176 3.895,1177 3.878,1178 3.899,1179 3.992,1180 3.819,1181 4.998,1182 3.808,1183 3.685,1184 3.735,1185 3.721,1186 3.537,1187 4.81,1188 3.54,1189 3.236,1190 3.295,1191 3.297,1192 3.046,1193 4.567,1194 3.039,1195 3.036,1196 3.146,1197 3.094,1198 2.816,1199 4.401,1200 2.793,1201 2.911,1202 2.968,1203 2.952,1204 2.787,1205 4.256,1206 2.776,1207 2.877,1208 2.921,1209 2.867,1210 2.738,1211 3.906,1212 2.725,1213 2.735,1214 2.798,1215 2.637,1216 2.596,1217 3.675,1218 2.575,1219 0.185,1220 0.136,1221 0.271,1222 0.167,1223 0.128,1224 4.447,1225 0.173,1226 3.273,1227 0.048,1228 6.506,1229 0.425,1230 3.998,1231 0.118,1232 3.078,1233 4.151,1234 1.151,1235 10.196,1236 2.83,1237 1.867,1238 1.849,1239 1.96,1240 1.957,1241 1.045,1242 1.964,1243 1.793,1244 1.759,1245 1.863,1246 1.957,1247 0.959,1248 1.936,1249 1.484,1250 1.431,1251 1.695,1252 1.687,1253 0.811,1254 1.692,1255 1.39,1256 1.366,1257 1.526,1258 1.532,1259 0.684,1260 1.566,1261 0.97,1262 0.885,1263 1.261,1264 1.306,1265 0.196,1266 1.311,1267 0.873,1268 0.824,1269 1.126,1270 1.035,1271 0.178,1272 1.075,1273 0.855,1274 0.82,1275 0.955,1276 0.988,1277 0.068,1278 1.029,1279 0.759,1280 0.687,1281 0.94,1282 0.963,1284 0.973,1285 3.892,1287 5.198,1288 2.398,1289 6.691,1290 4.727,1291 8.265,1292 6.804,1293 9.879,1295 1.934,1296 6.067,1299 5.627,1301 0.357,1304 5.709,1312 24.449,1313 64.816,1314 134.041,1315 157.16,1316 168.77,1317 170.77,1318 170.77,1319 28.104,1320 6.756,1321 73.92,1322 102.16,1323 17,1324 12.168,1325 4.17,1326 3.248,1327 34.595,1328 77,1329 64,1330 0.222,1331 159.693,1332 263.67,1333 381.412,1334 7239,1335 2.9,1336 15.527,1337 0.706,1338 0.607,1339 16.38,1340 13.357,1341 10.631,1342 0.443,1343 0.323,1344 6.57,1345 9.545,1346 6.282,1347 5.211,1348 11.328,1349 7.752,1350 9.61,1351 0.291,1352 0.183,1353 10.623,1354 6.032,1355 7.859,1356 0.187,1357 0.105,1358 9.095,1359 4.401,1360 6.448,1361 0.122,1362 0.058,1363 7.574,1364 3.091,1365 4.86,1366 0.08,1367 0.032,1368 5.806,1369 1.956,1370 0.35,1371 73.512,1372 0.25,1373 21.872,1374 0.606,1375 114,1376 361.047,1377 166.263,1378 401.668,1379 542.91,1380 376,1381 132,1382 365.004,1383 179.224,1384 394.576,1385 577.12,1386 371,1387 5.9} {0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,119 37.3,120 2,125 6,142 4,143 1,144 2,145 1,147 2,149 1,152 1,158 1,162 1,172 4,174 2,175 6,178 3,180 3,183 4,187 1,188 1,191 1,193 5,196 4,199 3,200 4,203 3,205 2,208 5,212 1,213 5,216 1,217 1,221 1,224 2,225 5,228 1,233 5,238 2,239 6,242 2,244 2,247 1,253 1,256 1,258 5,265 3,266 3,269 2,271 2,274 1,278 2001,279 22.195,280 22.195,281 22.195,282 22.195,283 22.195,284 19.929,285 32.957,286 13.115,287 23.048,288 17.742,289 17.742,290 17.742,291 17.742,292 17.742,293 14.303,294 53.106,295 6.184,296 19.239,297 4.101,298 2.018,299 1.131,300 0.568,301 0.568,302 0.568,303 4.224,304 1,308 1,309 1026,310 3.464,313 97.808,314 357.583,321 2.349,322 33.625,325 1,326 0.67,327 1,328 1,329 0.5,330 1,331 1,332 0.88,333 71.833,334 479,335 4.372,336 3.598,337 6.427,338 3.97,339 3.025,340 4.012,341 1.058,342 9.81,343 2.855,344 4.278,345 3.209,346 6.209,347 3.89,348 2.963,349 3.905,350 0.8,351 9.352,352 2.742,353 4.182,354 3.187,355 6.053,356 3.729,357 2.816,358 3.795,359 0.8,360 8.741,361 2.583,362 3.731,363 2.874,364 5.56,365 3.499,366 2.572,367 2.948,368 0.4,369 7.535,370 2.377,371 3.573,372 2.712,373 5.322,374 3.261,375 2.344,376 2.8,378 6.886,379 2.131,380 3.377,381 2.486,382 5.139,383 3.091,384 2.175,385 2.481,387 6.287,388 1.978,389 3.232,390 2.379,391 4.841,392 2.799,393 1.879,394 2.478,396 5.178,397 1.722,398 3.232,399 2.119,400 4.717,401 2.782,402 1.854,403 2.446,405 5.104,406 1.638,407 2.898,408 1.66,409 4.254,410 2.451,411 1.484,412 2.064,414 3.876,415 1.433,416 2.623,417 1.578,418 4.184,419 2.329,420 1.39,421 1.628,423 3.748,424 1.3,425 2.572,426 1.558,427 3.789,428 2.079,429 1.12,430 1.553,432 2.808,433 1.051,434 2.17,435 1.399,436 3.414,437 1.967,438 1.025,439 1.055,441 2.275,442 0.965,443 2.062,444 1.146,445 3.275,446 1.935,447 1,448 1.003,450 1.824,451 0.926,452 2,453 1.064,454 3.163,455 1.528,456 0.688,457 1,459 1.676,460 0.566,461 1.58,462 0.727,463 2.952,464 1.216,465 0.302,466 0.362,468 0.714,469 0.248,470 16.014,471 0.485,472 0.835,473 0.025,474 41.75,475 1.265,476 19,477 0.576,478 22.75,479 0.689,480 31.371,481 0.951,482 36.186,483 0.613,484 31.424,485 0.952,486 8.116,487 0.246,488 7.807,489 0.237,490 0.149,492 0.331,497 0.871,498 1.516,499 0.673,500 0.997,501 0.729,502 0.939,503 0.846,504 1.116,505 0.718,506 0.852,507 0.638,508 0.832,509 1.049,510 1.094,511 0.974,512 0.982,513 0.885,514 0.963,515 0.792,516 1.051,517 0.939,518 1.061,519 0.784,520 1.089,521 1.031,522 0.858,523 0.993,524 0.89,525 0.99,526 0.89,527 1.204,528 0.956,529 0.805,530 0.815,531 1.435,532 0.852,533 0.825,534 1.14,535 1.308,536 1.304,537 0.675,538 1.059,539 0.943,540 1.085,541 1.039,542 1.08,543 0.788,544 0.962,545 7.5,546 0.133,547 3.556,548 2.222,549 1.899,550 1.181,551 0.688,552 0.518,553 0.28,554 0.313,555 16711,556 48685,557 2.061,558 44.1,559 3,560 16,562 1,563 3,564 3,568 1.749,569 1.922,570 3.77,571 0.922,578 105.106,579 1.781,580 3.865,581 4.752,582 5.315,583 5.315,584 5.315,585 3.242,586 4.62,587 5.014,588 3.973,589 2097.49,590 8.765,591 32631.5,596 347.076,597 1.434,598 4.971,599 0.208,600 0.004,601 0.071,602 0.044,603 0.04,604 0.026,605 0.016,606 0.013,607 0.008,608 0.01,609 0.443,610 0.17,611 0.88,612 0.871,613 178.143,614 -0.103,615 -0.284,616 0.036,617 -0.029,618 -0.079,619 -0.005,620 0.046,621 0.031,622 0.118,623 0.1,624 0.062,625 0.096,626 -0.089,627 -0.01,628 -0.037,629 -0.021,630 -0.048,631 -0.022,632 0.071,633 -0.045,634 -0.009,635 -0.095,636 0.049,637 -0.103,638 0.004,639 0.083,640 0.046,641 0.094,642 0.05,643 0.101,644 -0.092,645 0.057,646 0.17,647 0.214,648 -0.151,649 0.114,650 0.027,651 -0.048,652 -0.116,653 -0.117,654 0.047,655 -0.054,656 -0.055,657 -0.037,658 -0.057,659 -0.038,660 0.005,661 0.009,662 1.933,663 5.693,664 0.697,665 39.278,666 1.01,667 1.134,668 3.268,669 10.678,670 0.679,671 3.611,672 3.932,673 4.174,674 4.419,675 4.595,676 4.654,677 4.727,678 4.868,679 4.963,680 5.03,681 8.272,682 0.642,683 488.07,684 3.611,685 5.153,686 5.994,687 6.866,688 7.721,689 8.595,690 9.455,691 10.33,692 11.193,693 12.069,694 11.9,697 1,700 1,701 1,702 1,704 3,709 5,710 3,713 1,714 8,716 17,723 1,728 1,730 1,734 1,735 59,737 18,738 1,739 36,741 62,742 22,743 13,744 3,745 3,746 1,748 4,749 4,750 1,754 3,762 14,763 8,767 1,772 1,776 1,783 26,784 9,785 3,786 11,787 2,792 7,796 1,797 2,798 1,809 1,814 1,815 3,838 1,840 1,842 4,844 1,846 2,847 1,850 33,855 1,856 6,858 2,862 2,866 1,871 1,872 3.4,873 1,875 1,879 17.167,880 11.093,881 7.278,882 3.454,884 3.184,885 1.4,886 0.966,887 7.884,888 11.14,889 3.839,890 4.41,891 4.923,892 5.448,893 5.849,894 6.035,895 6.261,896 6.662,897 7.016,898 7.296,899 0.9,900 50,901 12.193,903 5.129,904 7.771,905 23.249,907 18.825,909 2.271,910 74.944,914 270.735,915 129.4,916 92.627,917 39.149,918 67.828,920 31.278,921 98.122,922 377.712,923 92.627,924 17.65,925 28.539,926 80.588,927 91.977,928 45.578,929 6.014,930 290.242,931 39.149,932 270.735,933 190.749,934 67.828,935 70.426,937 273.063,938 25.145,939 42.683,941 76.873,942 61.191,943 89.505,944 31.278,945 270.735,946 160.455,947 168.548,950 270.735,951 64.797,952 70.851,953 36.022,954 157.334,955 270.735,956 160.455,957 168.548,959 0.58,960 0.336,961 0.181,962 0.095,963 23,964 11,965 0.113,966 7,968 1,969 4.446,970 295.833,972 23,973 157.71,975 1,979 23.984,980 10.847,981 6.05,983 160.455,984 8.899,985 13.38,988 1.238,989 5.123,991 78.705,992 599.738,993 45.5,998 12.693,1002 -0.267,1005 59.603,1006 66.923,1007 0.303,1008 0.657,1009 0.808,1010 0.903,1011 0.903,1012 0.903,1013 5.083,1014 1.854,1015 5.979,1016 5.178,1017 4.615,1018 5.097,1019 1.701,1020 6.765,1021 4.459,1022 6.275,1023 1.484,1024 7.525,1025 5.104,1026 4.205,1027 4.89,1028 0.57,1029 7.582,1030 3.955,1031 7.573,1032 1.39,1033 9.164,1034 3.876,1035 6.192,1036 7.225,1037 1.5,1038 10.652,1039 5.89,1040 8.9,1041 1.12,1042 10.857,1043 3.748,1044 6.567,1045 7.811,1046 0.479,1047 12.26,1048 6.171,1049 10.257,1050 1.025,1051 12.583,1052 2.808,1053 8.028,1054 9.634,1055 1.472,1056 14.832,1057 7.584,1058 11.634,1059 1,1060 14.333,1061 2.275,1062 8.766,1063 10.595,1064 0.346,1065 16.784,1066 8.236,1067 13.027,1068 0.688,1069 16.099,1070 1.824,1071 10.009,1072 12.196,1073 1.501,1074 19.165,1075 9.429,1076 3.025,1077 0.302,1078 17.878,1079 1.676,1080 10.924,1081 13.348,1082 0.237,1083 21.277,1084 10.265,1085 2.963,1086 9.81,1087 19.668,1088 0.714,1089 12.072,1090 14.841,1091 1.556,1092 23.582,1093 11.36,1094 2.816,1095 9.352,1096 21.465,1097 4.012,1098 13.074,1099 16.092,1100 0.158,1101 25.769,1102 12.288,1103 2.572,1104 8.741,1105 23.27,1106 3.905,1107 14.182,1108 17.529,1109 1.626,1110 28.043,1111 13.339,1112 2.344,1113 7.535,1114 25.08,1115 3.795,1116 15.226,1117 18.834,1118 0.104,1119 30.267,1120 14.314,1121 2.175,1122 6.886,1123 26.894,1124 2.948,1125 16.319,1126 20.242,1127 1.706,1128 32.531,1129 15.348,1130 1.879,1131 6.287,1132 28.713,1133 2.8,1134 17.383,1135 21.575,1136 0.068,1137 34.773,1138 16.347,1139 15991,1140 27529,1141 23.868,1142 40.068,1143 53.852,1144 54.91,1145 55.262,1146 53.389,1147 53.272,1148 67.06,1149 6.117,1150 151.631,1151 49.029,1152 5.372,1153 5.598,1154 6.197,1155 5.109,1156 5.025,1157 7.012,1158 2.117,1159 16.37,1160 4.855,1161 17.595,1162 1.496,1163 1.525,1164 1.535,1165 1.483,1166 1.48,1167 1.863,1168 0.17,1169 4.212,1170 1.362,1171 3.993,1172 4.038,1173 4.246,1174 3.912,1175 7.429,1176 3.896,1177 3.92,1178 3.959,1179 4.011,1180 3.82,1181 6.456,1182 3.802,1183 3.818,1184 3.859,1185 3.872,1186 3.722,1187 5.005,1188 3.706,1189 3.72,1190 3.768,1191 3.641,1192 3.54,1193 4.93,1194 3.553,1195 3.421,1196 3.49,1197 3.369,1198 3.194,1199 4.789,1200 3.196,1201 3.274,1202 3.332,1203 3.265,1204 3.052,1205 4.361,1206 3.062,1207 3.176,1208 3.256,1209 3.233,1210 3.035,1211 4.336,1212 3.014,1213 3.148,1214 3.223,1215 2.993,1216 2.957,1217 4.037,1218 2.958,1219 0.121,1220 0.1,1221 0.179,1222 0.11,1223 0.084,1224 4.372,1225 0.111,1226 3.598,1227 0.029,1228 6.427,1229 0.273,1230 3.97,1231 0.079,1232 3.025,1233 4.012,1234 1.058,1235 9.81,1236 2.855,1237 1.911,1238 1.888,1239 2.006,1240 2.062,1241 1.314,1242 2.049,1243 1.849,1244 1.791,1245 2.005,1246 1.998,1247 1.136,1248 2.007,1249 1.692,1250 1.628,1251 1.843,1252 1.911,1253 0.964,1254 1.898,1255 1.495,1256 1.496,1257 1.677,1258 1.655,1259 0.854,1260 1.659,1261 1.385,1262 1.315,1263 1.545,1264 1.646,1265 0.825,1266 1.631,1267 1.298,1268 1.238,1269 1.532,1270 1.521,1271 0.668,1272 1.532,1273 1.204,1274 1.129,1275 1.513,1276 1.407,1277 0.605,1278 1.459,1279 1.153,1280 1.064,1281 1.513,1282 1.376,1283 0.593,1284 1.429,1285 4.29,1287 5.609,1288 2.398,1289 7.111,1290 4.595,1291 8.696,1292 6.581,1293 10.323,1295 3.742,1296 6.22,1300 9.128,1301 4.286,1303 6.061,1307 4.441,1312 37.862,1313 105.106,1314 228.043,1315 280.347,1316 313.566,1317 313.566,1318 313.566,1319 60.808,1320 7.956,1321 106.51,1322 134.75,1323 23,1324 12.611,1325 4.248,1326 3.392,1327 54.607,1328 165,1329 182,1330 0.16,1331 240.898,1332 411.56,1333 579.551,1334 36058,1335 1.7,1336 23.372,1337 0.708,1338 0.608,1339 24.225,1340 20.08,1341 15.923,1342 0.442,1343 0.329,1344 10.585,1345 14.517,1346 10.203,1347 8.418,1348 16.62,1349 11.853,1350 14.445,1351 0.289,1352 0.184,1353 15.485,1354 9.189,1355 11.81,1356 0.185,1357 0.103,1358 12.975,1359 6.588,1360 9.89,1361 0.121,1362 0.056,1363 11.004,1364 4.619,1365 7.523,1366 0.077,1367 0.029,1368 8.334,1369 2.857,1370 0.258,1371 107.355,1372 0.205,1373 31.192,1374 0.419,1375 172,1376 521.84,1377 232.562,1378 553.559,1379 745.38,1380 518,1381 200,1382 507.292,1383 253.281,1384 537.185,1385 787.64,1386 505,1387 5} {0 CHEMBL1421720,1 1.76,2 8.056,3 3.228,4 10.423,5 75.278,6 9.8,7 0.75,8 3.461,9 3.54,10 3.386,11 3.227,12 4.616,13 3.138,14 3.919,15 4.022,16 3.788,17 3.592,18 5.088,19 3.473,20 4.054,21 4.216,22 3.521,23 3.506,24 5.156,25 3.351,26 3.918,27 4.09,28 3.541,29 3.306,30 5.125,31 3.189,32 3.741,33 3.915,34 3.208,35 3.079,36 4.99,37 2.988,38 3.589,39 3.749,40 3.307,41 3.084,42 4.78,43 2.943,44 3.522,45 3.668,46 3.182,47 3.061,48 4.739,49 2.917,50 3.429,51 3.611,52 2.778,53 2.932,54 4.403,55 2.753,56 0.025,57 0.375,58 3.56,59 2.368,60 3.684,61 2.563,62 0.121,63 0.647,64 8.525,65 4.338,66 10.421,67 4.629,68 0.175,69 0.761,70 17.383,71 6.466,72 23.512,73 5.717,74 0.182,75 0.662,76 13.484,77 5.225,78 17.912,79 5.099,80 0.142,81 0.575,82 12.521,83 4.375,84 17.147,85 3.6,86 0.123,87 0.464,88 9.826,89 3.597,90 16.437,91 3.095,92 0.089,93 0.406,94 7.746,95 3.454,96 16.163,97 3.354,98 0.095,99 0.373,100 8.426,101 3.363,102 14.408,103 3.456,104 2,105 27,106 0.334,107 0.647,108 0.78,109 0.886,110 0.899,111 0.899,112 2.96,113 1.078,114 -3.66,115 -3.63,116 -3.45,119 46.4,121 1,142 6,146 1,151 1,152 2,158 1,162 1,172 4,175 3,178 2,180 2,183 7,188 2,196 4,199 1,200 5,205 4,208 2,213 1,218 3,225 4,233 4,239 3,247 3,261 4,274 6,278 344,279 12.378,280 12.378,281 12.378,282 12.378,283 12.378,284 10.465,285 10.416,286 7.532,287 12.866,288 9.938,289 9.938,290 9.938,291 9.938,292 9.938,293 7.098,294 14.728,295 3.649,296 10.768,297 3.047,298 1.399,299 0.697,300 0.143,301 0.071,302 0.071,303 3.639,307 1,308 1,309 319,310 2.646,313 86.588,314 48.337,317 71.215,321 1.284,322 13.075,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 38,334 145,335 4.462,336 3.63,337 6.247,338 3.903,339 2.992,340 4.402,341 1.987,342 9.493,343 2.731,344 3.985,345 2.986,346 5.531,347 3.588,348 2.639,349 3.51,350 0.324,351 7.512,352 2.509,353 3.648,354 2.63,355 5.215,356 3.198,357 2.273,358 2.977,360 6.536,361 2.074,362 3.277,363 2.166,364 4.596,365 2.769,366 1.823,367 2.526,369 4.852,370 1.69,371 3.032,372 1.532,373 4.414,374 2.461,375 1.532,376 2.298,378 4.312,379 1.406,380 2.83,381 1.395,382 3.603,383 2.333,384 1.358,385 1.975,387 2.947,388 1.313,389 2.565,390 1.385,391 3.386,392 2.077,393 1.122,394 1.574,396 2.476,397 1.054,398 2.118,399 0.618,400 3,401 1.463,402 0.618,403 0.927,405 1.372,406 0.507,407 1.847,408 0.591,409 3,410 1.241,411 0.347,412 0.521,414 0.86,415 0.304,416 1.08,417 0.347,418 2.782,419 0.767,420 -0.148,421 -0.171,423 -0.429,424 -0.134,425 0.971,426 0.152,427 2.166,428 0.525,429 -0.508,430 -0.704,432 -1.235,433 -0.508,434 0.633,435 -0.694,436 2,437 0.128,438 -0.855,439 -1.268,441 -2.071,442 -0.822,443 0.5,444 -0.91,445 1.614,446 -0.064,447 -1,448 -1.5,450 -2.625,451 -0.917,452 0.056,453 -1,454 1.586,455 -0.362,456 -1.353,457 -1.788,459 -3.111,460 -1.253,461 -0.096,462 -1.249,463 1.133,464 -0.566,465 -1.492,466 -1.86,468 -4.014,469 -1.313,470 9.3,471 0.517,472 0.362,473 0.02,474 25.25,475 1.403,476 14,477 0.778,478 11.25,479 0.625,480 11.883,481 0.66,482 17.7,483 0.632,484 13.6,485 0.756,486 4.745,487 0.264,488 4.065,489 0.226,490 0.036,492 0.269,497 0.692,498 0.914,499 0.686,500 0.701,501 0.548,502 0.709,503 0.47,504 1.077,505 0.881,506 1.002,507 0.567,508 0.95,509 1.445,510 1.14,511 1.386,512 1.21,513 1.369,514 1.112,515 0.835,516 1.243,517 0.907,518 1.158,519 0.94,520 1.035,521 1.881,522 1.126,523 1.244,524 1.088,525 1.666,526 0.935,527 1.527,528 0.822,529 0.672,530 0.682,531 1.568,532 0.874,533 1.431,534 0.858,535 0.985,536 0.876,537 1.602,538 0.875,539 1.056,540 0.71,541 1.12,542 0.929,543 1.11,544 1.029,545 3.5,547 1.111,548 1.389,549 0.417,550 0.511,551 0.108,552 0.182,553 0.068,554 0.019,555 3172,556 9674,557 2.154,558 35.7,560 6,561 1,563 1,564 2,568 1.581,569 2.077,570 3.049,571 -0.225,573 1,575 1,578 49.281,579 1.76,580 3.409,581 4.111,582 4.664,583 4.736,584 4.736,585 2.461,586 3.392,587 4.145,588 3.182,589 486.785,590 7.005,591 4672.51,592 1,593 1,594 1,595 1,596 134.606,597 1.135,598 4.128,599 0.175,601 0.041,602 0.066,603 0.022,604 0.032,605 0.008,606 0.013,607 0.007,608 0.002,609 0.366,610 0.83,611 1,612 0.463,613 77.189,614 -0.065,615 0.024,616 0.044,617 0.088,618 -0.056,619 0.062,620 0.272,621 -0.105,622 0.031,623 -0.087,624 0.046,625 -0.106,626 -0.288,627 -0.111,628 -0.291,629 -0.157,630 -0.2,631 -0.152,632 0.301,633 -0.237,634 0.096,635 -0.181,636 0.179,637 -0.07,638 -0.322,639 -0.012,640 -0.221,641 -0.1,642 -0.088,643 -0.02,644 -0.223,645 0.163,646 0.206,647 0.22,648 -0.143,649 0.036,650 -0.187,651 0.075,652 0.021,653 0.13,654 -0.098,655 0.084,656 -0.228,657 0.188,658 -0.158,659 0.052,660 -0.198,661 -0.002,662 1.684,663 4.819,664 0.778,665 12.123,666 1.008,667 1.097,668 2.428,669 5.897,670 0.779,671 3.045,672 3.332,673 3.555,674 3.829,675 3.85,676 3.871,677 3.951,678 3.951,679 3.85,680 3.85,681 5.048,682 0.723,683 274.39,684 3.045,685 4.554,686 5.38,687 6.24,688 7.081,689 7.946,690 8.793,691 9.66,692 10.512,693 11.38,694 7.1,701 1,704 1,708 2,709 7,710 1,713 2,714 2,716 15,735 28,737 16,738 1,739 20,741 30,742 13,743 11,744 2,745 4,748 3,749 4,760 1,762 12,763 1,767 1,772 1,776 1,780 1,783 10,784 3,785 1,786 5,787 2,792 2,796 0.667,797 1,814 2,815 1,818 1,828 1,842 2,844 2,850 18,856 1,858 1,866 1,867 1,872 3.6,875 1,879 8.667,880 5.033,881 3.944,882 1.565,884 2.721,885 1.428,886 1.034,887 3.369,888 9.08,889 3.384,890 3.998,891 4.567,892 5.198,893 5.508,894 5.773,895 6.148,896 6.413,897 6.215,898 6.503,899 1,900 21,901 6.636,903 2.817,904 7.722,905 12.704,907 10.414,909 2.222,910 40,911 0.002,914 105.94,915 139.05,916 34.796,918 25.145,920 62.555,921 76.495,922 131.085,923 34.796,925 20.545,926 64.507,927 46.635,928 2.645,929 13.875,930 156.724,932 105.94,933 111.291,934 25.145,935 62.555,937 105.94,938 25.145,941 23.19,942 71.315,943 16.786,944 62.555,945 105.94,946 59.941,947 139.05,950 105.94,951 74.544,952 64.507,953 18.011,954 41.93,955 105.94,956 59.941,957 139.05,959 0.571,960 0.321,961 0.183,962 0.084,963 14,964 5,965 0.1,966 3,967 1,968 1.143,969 3.225,970 125.415,971 0.143,972 14,973 75.059,975 2,979 11.785,980 5.145,981 2.774,982 2.012,983 59.941,984 13.744,985 4.372,988 3.088,989 1.728,991 18.011,992 304.931,993 28.5,998 11.819,1002 -0.017,1005 28.218,1006 30.707,1007 0.366,1008 0.709,1009 0.855,1010 0.97,1011 0.985,1012 0.985,1013 4.572,1014 0.618,1015 5.333,1016 2.476,1017 4.007,1018 4.682,1019 2.076,1020 6.075,1021 3.857,1022 5.773,1023 0.347,1024 6.836,1025 1.372,1026 3.434,1027 4.388,1028 1.593,1029 6.763,1030 3.206,1031 7.064,1032 -0.148,1033 8.434,1034 0.86,1035 5.525,1036 6.904,1037 3.1,1038 9.857,1039 5.226,1040 8.392,1041 -0.508,1042 10.089,1043 -0.429,1044 5.802,1045 7.517,1046 3.168,1047 11.412,1048 5.389,1049 9.753,1050 -0.855,1051 11.782,1052 -1.235,1053 7.314,1054 9.43,1055 4.312,1056 13.965,1057 6.86,1058 11.137,1059 -1,1060 13.5,1061 -2.071,1062 8.001,1063 10.491,1064 4.654,1065 15.9,1066 7.42,1067 12.539,1068 -1.353,1069 15.238,1070 -2.625,1071 9.264,1072 12.15,1073 5.601,1074 18.256,1075 8.643,1076 2.992,1077 -1.492,1078 16.991,1079 -3.111,1080 10.152,1081 13.433,1082 6.091,1083 20.362,1084 9.406,1085 2.639,1086 9.493,1087 18.756,1088 -4.014,1089 11.307,1090 14.983,1091 6.927,1092 22.645,1093 10.51,1094 2.273,1095 7.512,1096 20.531,1097 4.402,1098 12.294,1099 16.371,1100 7.5,1101 24.829,1102 11.377,1103 1.823,1104 6.536,1105 22.314,1106 3.51,1107 13.403,1108 17.877,1109 8.273,1110 27.086,1111 12.422,1112 1.532,1113 4.852,1114 24.104,1115 2.977,1116 14.439,1117 19.314,1118 8.894,1119 29.304,1120 13.346,1121 1.358,1122 4.312,1123 25.899,1124 2.526,1125 15.53,1126 20.803,1127 9.631,1128 31.554,1129 14.363,1130 1.122,1131 2.947,1132 27.699,1133 2.298,1134 16.59,1135 22.262,1136 10.279,1137 33.788,1138 15.317,1139 3020,1140 5391,1141 13.811,1142 21.807,1143 29.879,1144 30,1145 29.548,1146 29.327,1147 29.408,1148 41.423,1149 4.622,1150 80.719,1151 27.176,1152 5.338,1153 5.63,1154 5.93,1155 5.03,1156 4.992,1157 7.402,1158 3.497,1159 15.762,1160 4.731,1161 4.8,1162 1.494,1163 1.5,1164 1.477,1165 1.466,1166 1.47,1167 2.071,1168 0.231,1169 4.036,1170 1.359,1171 4.052,1172 4.068,1173 4.32,1174 4.041,1175 7.429,1176 3.994,1177 3.875,1178 3.884,1179 4.214,1180 3.915,1181 4.974,1182 3.83,1183 3.504,1184 3.542,1185 3.515,1186 3.355,1187 4.661,1188 3.342,1189 3.225,1190 3.257,1191 3.331,1192 3.137,1193 4.336,1194 3.106,1195 2.884,1196 2.939,1197 2.856,1198 2.79,1199 3.766,1200 2.768,1201 2.693,1202 2.781,1203 2.682,1204 2.478,1205 3.677,1206 2.484,1207 2.389,1208 2.465,1209 2.526,1210 2.376,1211 3.395,1212 2.234,1213 2.3,1214 2.319,1215 2.289,1216 2.164,1217 3.1,1218 2.137,1219 0.223,1220 0.181,1221 0.312,1222 0.195,1223 0.15,1224 4.462,1225 0.22,1226 3.63,1227 0.099,1228 6.247,1229 0.475,1230 3.903,1231 0.137,1232 2.992,1233 4.402,1234 1.987,1235 9.493,1236 2.731,1237 1.898,1238 1.88,1239 1.98,1240 1.964,1241 1.1,1242 1.979,1243 1.647,1244 1.624,1245 1.772,1246 1.808,1247 1,1248 1.803,1249 1.432,1250 1.402,1251 1.557,1252 1.558,1253 0.652,1254 1.58,1255 1.304,1256 1.298,1257 1.278,1258 1.385,1259 0.466,1260 1.435,1261 0.966,1262 0.958,1263 1.1,1264 1.114,1265 0.241,1266 1.142,1267 0.917,1268 0.882,1269 1.02,1270 1.003,1271 0.182,1272 1.05,1273 0.704,1274 0.645,1275 0.908,1276 0.882,1277 0.076,1278 0.943,1279 0.258,1280 0.168,1281 0.458,1282 0.593,1284 0.619,1285 3.714,1287 5.004,1288 3.045,1289 6.463,1290 5.283,1291 8.003,1292 7.273,1293 9.587,1301 0.41,1303 2.845,1312 20.239,1313 49.281,1314 95.445,1315 115.096,1316 130.606,1317 132.606,1318 132.606,1319 21.655,1320 6.36,1321 41.99,1322 98.47,1323 16,1324 11.928,1325 4.087,1326 3.248,1327 25.91,1328 55,1329 42,1330 0.235,1331 132.646,1332 213.01,1333 315.415,1334 4335,1336 12.372,1337 0.687,1338 0.614,1339 13.079,1340 11.054,1341 8.81,1342 0.44,1343 0.359,1344 5.592,1345 7.668,1346 5.318,1347 4.392,1348 9.672,1349 7.185,1350 7.869,1351 0.291,1352 0.217,1353 9.148,1354 5.854,1355 6.285,1356 0.185,1357 0.126,1358 7.655,1359 4.283,1360 5.53,1361 0.123,1362 0.072,1363 7.059,1364 3.246,1365 3.672,1366 0.08,1367 0.038,1368 4.66,1369 1.761,1370 0.367,1371 62.876,1372 0.269,1373 18.339,1374 0.64,1375 94,1376 279.434,1377 149.395,1378 315.631,1379 430.2,1380 296,1381 108,1382 282.85,1383 152.352,1384 316.974,1385 461.52,1386 299,1387 5.3} {0 CHEMBL14762,1 1.5,2 9.462,3 3.181,4 10.12,5 106.143,6 6.817,7 0.571,8 4.034,9 4.18,10 3.519,11 3.496,12 5.088,13 3.472,14 4.572,15 4.785,16 3.856,17 3.869,18 5.559,19 3.815,20 4.81,21 5.061,22 3.912,23 3.985,24 5.757,25 3.906,26 4.882,27 5.147,28 3.89,29 3.981,30 5.84,31 3.892,32 4.843,33 5.117,34 3.806,35 3.913,36 5.833,37 3.834,38 4.671,39 4.9,40 3.827,41 3.894,42 5.652,43 3.838,44 4.764,45 4.999,46 3.846,47 3.969,48 5.745,49 3.896,50 4.877,51 5.132,52 3.736,53 4.031,54 5.779,55 3.9,56 0.052,57 0.803,58 12.071,59 4.161,60 11.302,61 6.38,62 0.304,63 1.233,64 21.878,65 6.999,66 27.887,67 10.721,68 0.365,69 1.431,70 28.413,71 8.106,72 37.986,73 13.299,74 0.425,75 1.463,76 31.008,77 8.473,78 44.897,79 13.926,80 0.557,81 1.385,82 30.377,83 6.812,84 60.496,85 12.199,86 0.263,87 1.314,88 24.475,89 6.143,90 29.225,91 10.697,92 0.429,93 1.397,94 27.167,95 6.888,96 37.375,97 11.79,98 0.346,99 1.421,100 30.375,101 9.501,102 43.03,103 14.901,104 28,105 38,106 0.252,107 0.595,108 0.767,109 0.831,110 0.84,111 0.84,112 3.305,113 0.966,114 -4.72,115 -4.63,116 -4.35,119 36.5,120 3,121 1,125 2,127 2,142 5,143 1,146 1,147 1,150 1,160 1,161 1,172 7,174 3,175 2,178 3,180 2,183 7,187 2,191 1,192 1,193 4,196 3,199 1,200 7,203 3,204 1,205 3,213 5,216 3,218 1,225 9,230 6,239 9,242 1,243 1,244 3,253 6,256 1,258 2,261 5,266 2,271 4,274 9,278 1070,279 17.74,280 17.74,281 17.74,282 17.74,283 17.74,284 15.891,285 24.833,286 10.529,287 18.162,288 13.704,289 13.704,290 13.704,291 13.704,292 13.704,293 10.846,294 38.665,295 4.846,296 14.447,297 4.201,298 2.156,299 1.133,300 0.75,301 0.697,302 0.697,303 3.986,306 1,307 1,308 1,309 513,310 3.742,313 59.154,314 151.285,317 107.706,321 1.462,322 20.389,324 1,325 1,326 1,327 1,328 1,329 0.5,330 1,331 1,332 0.93,333 56,334 246,335 4.656,336 3.293,337 6.805,338 4.159,339 3.226,340 4.614,341 0.657,342 11.227,343 3.01,344 3.93,345 2.838,346 5.977,347 3.583,348 2.649,349 3.451,350 0.4,351 8.354,352 2.519,353 3.863,354 2.769,355 5.526,356 3.513,357 2.542,358 3.308,360 7.443,361 2.438,362 3.663,363 2.587,364 5.342,365 3.398,366 2.436,367 2.987,369 6.952,370 2.327,371 3.239,372 2.136,373 4.978,374 2.952,375 2.021,376 2.306,378 5.785,379 1.874,380 3.071,381 1.937,382 4.958,383 2.77,384 1.826,385 2.2,387 5.252,388 1.72,389 2.908,390 1.584,391 3.925,392 2.48,393 1.49,394 2.069,396 3.199,397 1.474,398 2.568,399 1.191,400 3.675,401 2.039,402 1.129,403 1.595,405 2.828,406 1.027,407 2.5,408 1.075,409 3.61,410 2,411 1,412 1.5,414 2.389,415 1,416 2.196,417 1.003,418 3.247,419 1.865,420 0.926,421 1.132,423 2.136,424 0.867,425 1.759,426 1,427 3.088,428 1.556,429 0.618,430 0.618,432 1.222,433 0.572,434 1.618,435 0.651,436 2.914,437 1.432,438 0.505,439 0.612,441 0.791,442 0.467,443 1.33,444 0.4,445 2.627,446 1.103,447 0.202,448 0.22,450 0.358,451 0.181,452 1,453 -0.155,454 2.618,455 0.611,456 -0.325,457 -0.41,459 -0.788,460 -0.302,461 0.735,462 -0.299,463 2.244,464 0.409,465 -0.52,466 -0.598,468 -1.136,469 -0.481,470 12.233,471 0.471,472 0.554,473 0.021,474 32.5,475 1.25,476 15,477 0.577,478 17.5,479 0.673,480 22.94,481 0.882,482 29.167,483 0.561,484 23.064,485 0.887,486 6.142,487 0.236,488 6.476,489 0.249,490 0.15,492 0.319,497 1.034,498 1.604,499 0.904,500 1.231,501 1.021,502 1.076,503 0.853,504 1.101,505 0.894,506 1.024,507 0.841,508 0.977,509 0.899,510 1.143,511 0.911,512 0.992,513 0.748,514 0.953,515 1.067,516 1.092,517 0.957,518 0.986,519 1.088,520 0.96,521 1.466,522 0.9,523 1.103,524 0.74,525 1.294,526 0.837,527 1.376,528 1.269,529 1.148,530 1.026,531 0.944,532 1.028,533 1.361,534 1.058,535 1.239,536 0.969,537 0.953,538 1.046,539 1.059,540 1.038,541 1.16,542 1.136,543 0.941,544 1.154,545 5,546 0.074,547 2.444,548 1.66,549 1.286,550 0.854,551 0.678,552 0.478,553 0.38,554 0.136,555 7233,556 16884,557 2.037,558 50,559 3,560 11,562 1,563 3,565 8,568 1.698,569 1.902,570 3.228,571 0.974,572 1,573 1,578 77.991,579 1.5,580 3.544,581 4.568,582 4.95,583 5.003,584 5.003,585 2.676,586 4.085,587 4.667,588 3.393,589 1102.79,590 8.128,591 13859,593 1,595 1,596 296.423,597 1.42,598 4.628,599 0.179,600 0.005,601 0.064,602 0.043,603 0.035,604 0.025,605 0.019,606 0.013,607 0.012,608 0.006,609 0.401,610 0.17,611 1,612 1.317,613 126.185,614 -0.083,615 -0.298,616 0.043,617 -0.081,618 -0.128,619 -0.016,620 0.174,621 0.066,622 0.084,623 0.01,624 0.037,625 0.021,626 0.098,627 -0.076,628 0.075,629 -0.017,630 0.07,631 0.018,632 0.056,633 -0.071,634 0.047,635 -0.045,636 -0.034,637 -0.012,638 -0.137,639 0.139,640 -0.066,641 0.129,642 -0.089,643 0.058,644 -0.259,645 -0.097,646 -0.149,647 -0.071,648 -0.113,649 -0.084,650 -0.181,651 0.099,652 -0.233,653 -0.025,654 -0.065,655 -0.111,656 -0.101,657 -0.015,658 -0.191,659 -0.129,660 0.005,661 -0.161,662 1.464,663 3.474,664 0.577,665 24.935,666 0.996,667 1.141,668 3.488,669 12.167,670 0.637,671 3.367,672 3.664,673 3.932,674 4.19,675 4.394,676 4.522,677 4.673,678 4.82,679 4.828,680 4.787,681 5.937,682 0.598,683 354.51,684 3.367,685 4.89,686 5.733,687 6.605,688 7.473,689 8.357,690 9.237,691 10.129,692 11.017,693 11.915,694 11.5,699 2,702 1,704 3,708 2,709 6,710 3,714 3,715 1,716 16,728 2,735 52,737 16,738 1,739 28,741 54,742 19,743 11,744 1,745 5,748 3,749 4,754 4,760 3,762 11,763 8,779 1,780 1,783 26,784 6,785 3,786 7,789 1,792 6,796 0.667,797 1,798 1,809 1,814 1,815 2,818 1,840 1,842 2,846 3,850 26,855 1,856 3,858 2,861 2,872 1.9,873 1,879 13.667,880 9.917,881 5.944,882 3.294,884 2.998,885 1.418,886 0.936,887 6.069,888 10.168,889 3.611,890 4.201,891 4.813,892 5.43,893 5.949,894 6.273,895 6.662,896 7.062,897 7.196,898 7.407,899 1,900 39,901 9.596,903 3.941,904 7.635,905 18.531,907 14.826,909 2.135,910 55.5,913 1,914 270.735,915 98.388,916 88.277,918 42.683,921 98.388,922 313.419,923 88.277,924 26.476,925 4.64,926 90.065,927 108.483,928 7.229,929 4.227,930 258.964,932 270.735,933 186.665,934 42.683,937 176.567,938 94.169,939 42.683,941 47.392,942 52.895,943 86.378,945 270.735,946 130.961,947 98.388,950 270.735,951 15.912,952 84.375,953 36.022,954 93.04,955 270.735,956 130.961,957 98.388,959 0.568,960 0.337,961 0.179,962 0.095,963 17,964 8,965 0.148,966 8,967 1,968 1.133,969 3.729,970 214.862,971 0.133,972 15,973 116.211,979 18.617,980 8.475,981 4.34,982 1.526,983 129.061,984 11.954,985 13.75,989 2.351,990 2.024,991 78.705,992 500.084,993 36,1005 51.774,1006 59.351,1007 0.263,1008 0.622,1009 0.801,1010 0.868,1011 0.878,1012 0.878,1013 4.828,1014 1.129,1015 5.707,1016 3.199,1017 4.344,1018 4.887,1019 0.781,1020 6.509,1021 4.235,1022 6.021,1023 1,1024 7.259,1025 2.828,1026 3.892,1027 4.677,1029 7.416,1030 3.73,1031 7.321,1032 0.926,1033 8.913,1034 2.389,1035 5.922,1036 7.114,1037 0.354,1038 10.518,1039 5.695,1040 8.662,1041 0.618,1042 10.627,1043 2.136,1044 6.312,1045 7.805,1047 12.286,1048 6.017,1049 10.039,1050 0.505,1051 12.383,1052 1.222,1053 7.793,1054 9.7,1055 0.157,1056 14.919,1057 7.44,1058 11.444,1059 0.202,1060 14.167,1061 0.791,1062 8.577,1063 10.827,1065 17.057,1066 8.147,1067 12.872,1068 -0.325,1069 15.973,1070 0.358,1071 9.844,1072 12.501,1073 0.069,1074 19.542,1075 9.355,1076 3.226,1077 -0.52,1078 17.797,1079 -0.788,1080 10.822,1081 13.844,1083 21.84,1084 10.252,1085 2.649,1086 11.227,1087 19.635,1088 -1.136,1089 12.008,1090 15.427,1091 0.03,1092 24.277,1093 11.375,1094 2.542,1095 8.354,1096 21.485,1097 4.614,1098 13.08,1099 16.871,1101 26.644,1102 12.367,1103 2.436,1104 7.443,1105 23.346,1106 3.451,1107 14.241,1108 18.418,1109 0.013,1110 29.066,1111 13.461,1112 2.021,1113 6.952,1114 25.215,1115 3.308,1116 15.359,1117 19.909,1119 31.461,1120 14.501,1121 1.826,1122 5.785,1123 27.091,1124 2.987,1125 16.516,1126 21.443,1127 0.006,1128 33.879,1129 15.587,1130 1.49,1131 5.252,1132 28.973,1133 2.306,1134 17.657,1135 22.954,1137 36.287,1138 16.652,1139 7195,1140 11124,1141 18.493,1142 33.103,1143 41.172,1144 41.64,1145 42.947,1146 41.092,1147 41.139,1148 53.225,1149 2.115,1150 115.87,1151 38.951,1152 5.503,1153 5.293,1154 6.607,1155 5.24,1156 5.226,1157 7.614,1158 1.315,1159 18.537,1160 5.01,1161 13.218,1162 1.47,1163 1.487,1164 1.534,1165 1.468,1166 1.469,1167 1.901,1168 0.076,1169 4.138,1170 1.391,1171 4.109,1172 4.166,1173 4.087,1174 3.925,1175 6.456,1176 3.957,1177 3.901,1178 3.936,1179 3.827,1180 3.83,1181 5.145,1182 3.828,1183 3.724,1184 3.791,1185 3.6,1186 3.55,1187 4.754,1188 3.548,1189 3.573,1190 3.646,1191 3.44,1192 3.405,1193 4.57,1194 3.401,1195 3.295,1196 3.383,1197 3.143,1198 3.093,1199 4.246,1200 3.095,1201 3.236,1202 3.329,1203 3.093,1204 2.998,1205 4.099,1206 3.006,1207 3.138,1208 3.211,1209 2.94,1210 2.871,1211 4.078,1212 2.882,1213 2.874,1214 3.009,1215 2.717,1216 2.735,1217 3.748,1218 2.715,1219 0.166,1220 0.118,1221 0.243,1222 0.149,1223 0.115,1224 4.656,1225 0.165,1226 3.293,1227 0.023,1228 6.805,1229 0.401,1230 4.159,1231 0.108,1232 3.226,1233 4.614,1234 0.657,1235 11.227,1236 3.01,1237 1.918,1238 1.885,1239 2.043,1240 2.062,1241 1.23,1242 2.043,1243 1.828,1244 1.779,1245 1.968,1246 1.983,1247 1.17,1248 1.989,1249 1.691,1250 1.625,1251 1.937,1252 1.9,1253 1.148,1254 1.913,1255 1.617,1256 1.555,1257 1.759,1258 1.814,1259 0.837,1260 1.812,1261 1.246,1262 1.166,1263 1.55,1264 1.508,1265 0.688,1266 1.526,1267 1.182,1268 1.1,1269 1.469,1270 1.461,1271 0.623,1272 1.472,1273 1.151,1274 1.067,1275 1.417,1276 1.413,1277 0.469,1278 1.412,1279 0.934,1280 0.821,1281 1.359,1282 1.239,1283 0.353,1284 1.308,1285 4.043,1287 5.342,1288 2.398,1289 6.838,1290 4.727,1291 8.427,1292 6.862,1293 10.069,1295 6.2,1300 9.474,1301 1.473,1303 6.588,1306 0.161,1312 31.111,1313 77.991,1314 184.307,1315 237.529,1316 257.403,1317 260.158,1318 260.158,1319 42.011,1320 7.169,1321 87.89,1322 87.89,1323 17,1324 12.441,1325 4.087,1326 3.17,1327 43.987,1328 90,1329 96,1330 0.238,1331 195.115,1332 323.79,1333 467.841,1334 11364,1336 18.518,1337 0.712,1338 0.595,1339 18.518,1340 15.476,1341 12.618,1342 0.451,1343 0.322,1344 8.887,1345 12.128,1346 8.601,1347 7.244,1348 12.618,1349 9.017,1350 10.91,1351 0.287,1352 0.173,1353 10.91,1354 6.585,1355 9.128,1356 0.183,1357 0.087,1358 9.128,1359 4.327,1360 7.521,1361 0.116,1362 0.042,1363 7.521,1364 2.723,1365 5.813,1366 0.073,1367 0.021,1368 5.813,1369 1.679,1370 0.365,1371 79.084,1372 0.233,1373 24.877,1374 0.678,1375 132,1376 351.396,1377 146.123,1378 343.576,1379 480.25,1380 324,1381 154,1382 363.797,1383 169.15,1384 368.515,1385 541.86,1386 347,1387 5} {0 CHEMBL148471,1 1.365,2 7.125,3 3.948,4 15.586,5 94.32,6 8.168,7 0.724,8 3.794,9 3.891,10 3.472,11 3.496,12 4.878,13 3.475,14 4.334,15 4.454,16 3.918,17 3.973,18 5.402,19 3.936,20 4.567,21 4.722,22 3.984,23 4.097,24 5.573,25 4.037,26 4.626,27 4.788,28 4,29 4.109,30 5.64,31 4.051,32 4.631,33 4.808,34 3.947,35 4.051,36 5.681,37 3.981,38 4.6,39 4.8,40 3.729,41 3.908,42 5.676,43 3.822,44 4.463,45 4.714,46 3.251,47 3.614,48 5.476,49 3.47,50 3.935,51 4.214,52 2.552,53 3.051,54 4.864,55 2.867,56 0.025,57 0.485,58 6.156,59 3.047,60 4.139,61 3.702,62 0.091,63 0.842,64 11.494,65 5.598,66 10,67 7.05,68 0.069,69 1.064,70 16.459,71 7.788,72 12.14,73 9.923,74 0.113,75 1.169,76 17.85,77 7.991,78 15.418,79 9.913,80 0.143,81 1.186,82 18.596,83 8.383,84 15.362,85 10.823,86 0.173,87 1.195,88 19.491,89 7.934,90 28.723,91 9.685,92 0.212,93 1.032,94 20.047,95 7.972,96 40.056,97 10.065,98 0.124,99 0.597,100 12.651,101 5.108,102 24.334,103 6.758,104 2,105 45,106 0.237,107 0.584,108 0.746,109 0.855,110 0.892,111 0.892,112 3.233,113 0.856,114 -4.55,115 -4.48,116 -4.21,119 55.3,121 1,125 1,142 8,143 8,152 2,158 1,172 18,175 1,178 1,180 6,183 24,188 2,193 7,196 23,200 2,205 7,208 19,213 3,216 1,217 1,218 6,221 16,225 5,230 6,233 14,239 3,244 2,247 10,253 1,261 8,274 4,278 548,279 16.93,280 16.93,281 16.93,282 16.93,283 16.93,284 14.447,285 15.021,286 9.678,287 17.01,288 14.375,289 14.375,290 14.375,291 14.375,292 14.375,293 10.416,294 22.138,295 4.615,296 14.492,297 3.883,298 1.882,299 0.947,300 0.316,301 0.105,302 0.105,303 3.966,306 1,307 1,308 1,309 403,310 2.345,313 64.406,314 86.528,317 199.038,320 152.721,321 0.99,322 16.095,323 1,324 1,325 1,326 0.67,327 1,328 0.4,329 0.5,330 1,331 1,332 0.8,333 50,334 171,335 4.936,336 3.75,337 7.33,338 4.519,339 3.525,340 4.996,341 1.081,342 13.242,343 3.504,344 4.467,345 3.397,346 6.767,347 4.059,348 3.064,349 4.217,350 0.68,351 11.104,352 3.049,353 4.159,354 3.089,355 6.357,356 3.798,357 2.806,358 3.712,359 0.473,360 9.593,361 2.778,362 3.799,363 2.634,364 5.914,365 3.342,366 2.348,367 3.342,369 8.05,370 2.332,371 3.492,372 2.393,373 5.586,374 3.08,375 2.079,376 2.903,378 6.956,379 2.078,380 3.219,381 2.023,382 5.005,383 2.766,384 1.772,385 2.459,387 5.341,388 1.755,389 2.987,390 1.763,391 4.589,392 2.531,393 1.546,394 2.185,396 4.256,397 1.521,398 2.871,399 1.595,400 4.524,401 2.429,402 1.424,403 2.042,405 4.077,406 1.427,407 2.821,408 1.409,409 3.976,410 2.381,411 1.381,412 1.92,414 3.002,415 1.38,416 2.638,417 1.287,418 3.644,419 2.18,420 1.191,421 1.689,423 2.9,424 1.176,425 2.211,426 1.167,427 3.596,428 1.917,429 0.953,430 1.141,432 2.57,433 0.915,434 1.866,435 0.834,436 3.451,437 1.538,438 0.548,439 0.701,441 1.402,442 0.541,443 1.765,444 0.529,445 3.308,446 1.388,447 0.41,448 0.546,450 1.105,451 0.401,452 1.102,453 0.355,454 2.735,455 0.641,456 -0.393,457 -0.556,459 -0.999,460 -0.4,461 0.892,462 -0.402,463 2.628,464 0.453,465 -0.537,466 -0.732,468 -1.536,469 -0.532,470 11.633,471 0.485,472 0.604,473 0.025,474 35.25,475 1.469,476 19.5,477 0.813,478 15.75,479 0.656,480 17.179,481 0.716,482 22.567,483 0.594,484 23.719,485 0.988,486 6.84,487 0.285,488 4.987,489 0.208,490 0.029,492 0.473,497 0.725,498 0.86,499 0.678,500 0.72,501 0.53,502 0.69,503 0.568,504 0.914,505 0.752,506 0.833,507 0.51,508 0.813,509 0.779,510 1.018,511 0.864,512 0.977,513 0.808,514 0.94,515 1.053,516 1.078,517 0.977,518 0.996,519 0.98,520 0.98,521 0.771,522 1.166,523 0.953,524 1.132,525 0.801,526 1.077,527 1.484,528 1.113,529 1.235,530 1.122,531 1.32,532 1.137,533 1.587,534 0.922,535 1.248,536 1.029,537 1.696,538 1.094,539 1.254,540 0.784,541 1.135,542 0.946,543 1.478,544 1.023,545 3,547 2.667,548 2.333,549 1.896,550 0.941,551 0.632,552 0.214,553 0.047,555 5990,556 13740,557 2.34,558 36.8,559 2,560 10,563 2,568 1.68,569 2.25,570 2.847,571 0.173,573 1,578 51.88,579 1.365,580 3.366,581 4.301,582 4.932,583 5.143,584 5.143,585 2.22,586 4.252,587 4.559,588 2.938,589 810.772,590 7.924,591 8732.7,593 1,594 1,595 1,596 199.421,597 1.207,598 4.542,599 0.103,601 0.059,602 0.05,603 0.04,604 0.022,605 0.019,606 0.011,607 0.005,609 0.31,610 0.67,611 0.88,612 0.382,613 108.049,614 -0.068,615 0.106,616 0.046,617 0.11,618 -0.046,619 0.097,620 0.106,621 0.04,622 0.027,623 0.034,624 0.032,625 0.024,626 -0.005,627 -0.088,628 0.011,629 -0.045,630 -0.035,631 -0.022,632 -0.09,633 -0.095,634 -0.078,635 -0.075,636 -0.08,637 -0.076,638 0.186,639 -0.19,640 -0.013,641 -0.187,642 0.11,643 -0.137,644 -0.182,645 -0.071,646 -0.224,647 -0.163,648 -0.054,649 -0.186,650 -0.192,651 0.072,652 -0.099,653 0.038,654 -0.111,655 -0.009,656 -0.102,657 0.165,658 0.07,659 0.184,660 -0.09,661 0.151,662 1.619,663 5.608,664 0.958,665 15.139,666 0.996,667 1.097,668 3.322,669 11.036,670 0.738,671 3.401,672 3.829,673 4.277,674 4.727,675 5.081,676 5.361,677 5.666,678 5.94,679 6.061,680 6.196,681 4.455,682 0.708,683 310.37,684 3.401,685 5.004,686 5.943,687 6.901,688 7.862,689 8.831,690 9.8,691 10.773,692 11.746,693 12.721,694 5.3,701 1,702 1,708 4,709 8,711 1,714 6,716 21,723 1,735 38,737 22,738 3,739 29,741 43,742 21,743 18,744 10,745 8,746 1,748 6,749 25,757 1,760 1,762 19,763 2,767 1,772 1,776 1,780 1,783 14,784 2,785 2,786 3,792 2,796 0.167,797 1,810 1,814 3,815 3,818 5,821 3,842 1,850 24,856 2,858 1,872 2.6,875 1,879 10.667,880 7.083,881 4.972,882 2.417,884 4.562,885 1.523,886 1.184,887 2.219,888 13.281,889 3.726,890 4.474,891 5.252,892 6.035,893 6.744,894 7.315,895 7.947,896 8.552,897 8.989,898 9.45,899 0.8,900 47,901 8.907,903 4.118,904 7.556,905 17.453,907 15.967,909 2.056,910 49.333,914 141.253,915 113.703,916 34.796,918 25.145,921 113.703,922 166.398,923 34.796,925 22.651,926 75.81,927 29.85,928 41.045,929 4.288,930 141.253,932 141.253,933 148.499,934 25.145,937 141.253,938 25.145,941 39.437,942 109.062,945 141.253,946 59.941,947 113.703,950 141.253,951 37.893,952 75.81,953 34.796,954 25.145,955 141.253,956 59.941,957 113.703,959 0.599,960 0.377,961 0.235,962 0.138,963 29,964 11,967 5,968 1.435,969 3.536,970 241.955,971 0.435,972 23,973 110.039,979 12.654,980 4.208,981 1.454,982 4.443,983 43.156,984 16.817,986 3.583,989 7.242,991 34.796,992 314.897,993 40.5,998 12.608,1002 0.048,1005 37.833,1006 41.697,1007 0.26,1008 0.641,1009 0.819,1010 0.94,1011 0.98,1012 0.98,1013 5.006,1014 1.424,1015 5.964,1016 4.256,1017 4.511,1018 5.162,1019 1.549,1020 6.921,1021 4.495,1022 6.269,1023 1.381,1024 7.6,1025 4.077,1026 4.205,1027 5.165,1029 8.061,1030 4.194,1031 7.633,1032 1.191,1033 9.341,1034 3.002,1035 6.229,1036 7.561,1037 1.449,1038 11.292,1039 6.201,1040 9.041,1041 0.953,1042 11.144,1043 2.9,1044 6.804,1045 8.441,1047 13.293,1048 6.776,1049 10.486,1050 0.548,1051 12.987,1052 2.57,1053 8.295,1054 10.311,1055 1.484,1056 16.048,1057 8.256,1058 11.959,1059 0.41,1060 14.858,1061 1.402,1062 9.254,1063 11.587,1065 18.386,1066 9.213,1067 13.453,1068 -0.393,1069 16.748,1070 1.105,1071 10.561,1072 13.268,1073 1.574,1074 20.999,1075 10.512,1076 3.525,1077 -0.537,1078 18.654,1079 -0.999,1080 11.682,1081 14.722,1083 23.472,1084 11.629,1085 3.064,1086 13.242,1087 20.571,1088 -1.536,1089 12.931,1090 16.337,1091 1.687,1092 26.045,1093 12.871,1094 2.806,1095 11.104,1096 22.498,1097 4.996,1098 14.119,1099 17.87,1101 28.574,1102 14.054,1103 2.348,1104 9.593,1105 24.433,1106 4.217,1107 15.355,1108 19.467,1109 1.81,1110 31.14,1111 15.284,1112 2.079,1113 8.05,1114 26.374,1115 3.712,1116 16.573,1117 21.036,1119 33.693,1120 16.497,1121 1.772,1122 6.956,1123 28.321,1124 3.342,1125 17.81,1126 22.63,1127 1.94,1128 36.262,1129 17.728,1130 1.546,1131 5.341,1132 30.273,1133 2.903,1134 19.042,1135 24.216,1137 38.827,1138 18.955,1139 5337,1140 8180,1141 20.403,1142 28.034,1143 46.154,1144 47.392,1145 47.405,1146 46.034,1147 46.093,1148 63.705,1149 4.467,1150 147.198,1151 45.717,1152 5.799,1153 5.75,1154 7.011,1155 5.559,1156 5.525,1157 7.996,1158 2.162,1159 21.242,1160 5.504,1161 5.811,1162 1.592,1163 1.634,1164 1.635,1165 1.587,1166 1.589,1167 2.197,1168 0.154,1169 5.076,1170 1.576,1171 4.272,1172 4.294,1173 4.249,1174 4.215,1175 7.429,1176 4.221,1177 3.952,1178 3.978,1179 3.902,1180 3.905,1181 5.03,1182 3.901,1183 3.741,1184 3.777,1185 3.682,1186 3.638,1187 4.752,1188 3.642,1189 3.46,1190 3.51,1191 3.38,1192 3.312,1193 4.442,1194 3.324,1195 3.204,1196 3.257,1197 3.103,1198 3.104,1199 4.191,1200 3.098,1201 2.96,1202 3.026,1203 2.846,1204 2.831,1205 3.91,1206 2.824,1207 2.946,1208 2.991,1209 2.832,1210 2.807,1211 3.757,1212 2.806,1213 2.768,1214 2.808,1215 2.63,1216 2.535,1217 3.669,1218 2.554,1219 0.17,1220 0.129,1221 0.253,1222 0.156,1223 0.122,1224 4.936,1225 0.172,1226 3.75,1227 0.037,1228 7.33,1229 0.457,1230 4.519,1231 0.121,1232 3.525,1233 4.996,1234 1.081,1235 13.242,1236 3.504,1237 2.002,1238 1.994,1239 2.057,1240 2.035,1241 1.314,1242 2.043,1243 1.9,1244 1.876,1245 2.001,1246 1.994,1247 1.152,1248 1.99,1249 1.855,1250 1.826,1251 1.948,1252 1.943,1253 1.111,1254 1.955,1255 1.369,1256 1.311,1257 1.579,1258 1.655,1259 0.772,1260 1.63,1261 1.257,1262 1.218,1263 1.442,1264 1.419,1265 0.63,1266 1.419,1267 1.111,1268 1.048,1269 1.307,1270 1.328,1271 0.351,1272 1.344,1273 0.959,1274 0.92,1275 1.147,1276 1.083,1277 0.287,1278 1.105,1279 0.834,1280 0.794,1281 1.093,1282 1.005,1283 0.153,1284 1.032,1285 4.078,1287 5.476,1288 3.434,1289 7.084,1290 5.9,1291 8.793,1292 8.106,1293 10.561,1301 1.552,1303 3.039,1312 26.918,1313 51.88,1314 127.911,1315 163.421,1316 187.421,1317 195.421,1318 195.421,1319 27.156,1320 8.719,1321 44.89,1322 44.89,1323 33,1324 13.195,1325 4.524,1326 3.644,1327 27.525,1328 69,1329 55,1330 0.22,1331 156.16,1332 258.49,1333 372.791,1334 73310,1336 15.836,1337 0.66,1338 0.539,1339 15.836,1340 12.941,1341 11.826,1342 0.408,1343 0.285,1344 8.222,1345 11.634,1346 8.056,1347 6.575,1348 11.826,1349 8.273,1350 11.166,1351 0.248,1352 0.148,1353 11.166,1354 6.644,1355 10.659,1356 0.15,1357 0.077,1358 10.659,1359 5.47,1360 10.222,1361 0.091,1362 0.04,1363 10.222,1364 4.506,1365 9.111,1366 0.057,1367 0.021,1368 9.111,1369 3.381,1370 0.32,1371 72.399,1372 0.221,1373 22.153,1374 0.696,1375 148,1376 340.401,1377 153.989,1378 342.08,1379 496.8,1380 324,1381 190,1382 389.58,1383 196.323,1384 400.499,1385 607.58,1386 382,1387 6} {0 CHEMBL1516890,1 1.489,2 7.905,3 2.508,4 6.292,5 81.405,6 8.098,7 0.667,8 3.659,9 3.768,10 3.318,11 3.282,12 4.818,13 3.273,14 4.149,15 4.294,16 3.699,17 3.685,18 5.289,19 3.664,20 4.328,21 4.494,22 3.707,23 3.765,24 5.461,25 3.716,26 4.359,27 4.561,28 3.547,29 3.707,30 5.449,31 3.625,32 4.245,33 4.444,34 3.417,35 3.558,36 5.358,37 3.475,38 4.199,39 4.428,40 3.405,41 3.435,42 5.306,43 3.376,44 4.005,45 4.193,46 3.316,47 3.336,48 5.192,49 3.294,50 4.002,51 4.225,52 2.901,53 3.166,54 5.129,55 3.07,56 0.013,57 0.494,58 5.632,59 2.734,60 4.421,61 3.329,62 0.114,63 0.812,64 10.485,65 4.486,66 11.646,67 5.605,68 0.097,69 0.937,70 13.463,71 5.919,72 16.862,73 7.443,74 0.18,75 0.952,76 15.326,77 6.197,78 26.022,79 7.996,80 0.077,81 0.818,82 13.753,83 5.886,84 20.391,85 7.586,86 0.24,87 0.803,88 14.688,89 5.463,90 28.957,91 7.127,92 0.074,93 0.671,94 10.479,95 4.17,96 16.864,97 5.229,98 0.224,99 0.669,100 11.775,101 3.82,102 33.714,103 4.413,104 5,105 35,106 0.268,107 0.658,108 0.798,109 0.88,110 0.891,111 0.891,112 3.105,113 0.845,114 -2.9,115 -2.9,116 -2.81,119 50,124 1,135 1,136 1,142 6,143 2,144 1,145 1,146 1,151 1,152 1,158 1,172 8,175 6,178 1,180 2,183 7,188 6,191 1,193 2,196 7,199 1,200 5,205 1,208 6,213 3,218 1,221 5,224 2,225 2,228 1,230 1,233 3,239 5,244 2,247 2,253 3,258 1,261 3,274 3,278 489,279 14.43,280 14.43,281 14.43,282 14.43,283 14.43,284 12.241,285 10.682,286 8.41,287 14.617,288 11.865,289 11.865,290 11.865,291 11.865,292 11.865,293 8.516,294 13.192,295 3.988,296 12.154,297 3.598,298 1.435,299 0.655,300 0.199,301 0.14,302 0.14,303 3.804,306 1,307 1,308 1,309 372,310 2.236,313 73.372,314 93.986,317 141.07,321 0.984,322 14.13,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 44.5,334 166,335 4.657,336 3.655,337 6.773,338 4.217,339 3.235,340 4.611,341 1.058,342 11.122,343 3.177,344 4.483,345 3.19,346 6.669,347 4.083,348 3.109,349 4.086,351 10.732,352 3.029,353 3.687,354 2.754,355 5.557,356 3.223,357 2.234,358 3.111,360 7.05,361 2.205,362 3.426,363 2.214,364 5.365,365 3,366 2.017,367 2.756,369 6.266,370 1.977,371 3.308,372 1.963,373 4.808,374 2.835,375 1.864,376 2.645,378 5.112,379 1.8,380 3.046,381 1.782,382 4.716,383 2.629,384 1.669,385 2.183,387 4.847,388 1.598,389 2.839,390 1.502,391 3.722,392 2.34,393 1.354,394 1.97,396 2.937,397 1.329,398 2.7,399 1.232,400 3.608,401 2.21,402 1.22,403 1.787,405 2.821,406 1.206,407 2.508,408 1.064,409 3.582,410 1.982,411 1,412 1.447,414 2.52,415 0.979,416 2.223,417 0.828,418 3.419,419 1.692,420 0.718,421 1.034,423 1.816,424 0.696,425 1.329,426 0.527,427 2.82,428 0.905,429 -0.077,430 -0.103,432 -0.201,433 -0.075,434 0.871,435 -0.208,436 2.377,437 0.454,438 -0.557,439 -0.706,441 -1.341,442 -0.539,443 0.787,444 -0.441,445 2.301,446 0.392,447 -0.581,448 -0.793,450 -1.455,451 -0.577,452 0.665,453 -0.749,454 2,455 0.155,456 -0.827,457 -1.151,459 -2.06,460 -0.807,461 0.516,462 -0.844,463 2,464 0.059,465 -0.922,466 -1.291,468 -2.306,469 -0.9,470 10.033,471 0.478,472 0.521,473 0.025,474 31.5,475 1.5,476 17.5,477 0.833,478 14,479 0.667,480 12.453,481 0.593,482 20.567,483 0.605,484 20.96,485 0.998,486 6.343,487 0.302,488 3.894,489 0.185,490 0.083,492 0.389,497 0.733,498 1.182,499 0.687,500 0.906,501 0.563,502 0.805,503 0.789,504 1.003,505 0.771,506 0.813,507 0.561,508 0.782,509 0.903,510 1.104,511 0.941,512 1.074,513 0.9,514 1.026,515 0.948,516 0.956,517 1.092,518 1.031,519 0.855,520 1.067,521 0.984,522 1.158,523 1.028,524 1.211,525 1.116,526 1.148,527 1.091,528 0.808,529 0.819,530 0.792,531 1.432,532 0.785,533 1.214,534 1.234,535 0.966,536 1.091,537 1.114,538 1.012,539 2.176,540 0.87,541 1.609,542 0.949,543 2.129,544 1.148,545 3.5,547 2.667,548 2.403,549 0.679,550 0.674,551 0.454,552 0.258,553 0.089,554 0.038,555 4340,556 11147,557 2.185,558 38.2,560 10,561 1,562 1,563 1,568 1.635,569 2.066,570 2.984,571 -0.338,573 1,575 1,578 50.626,579 1.489,580 3.652,581 4.433,582 4.889,583 4.948,584 4.948,585 2.332,586 4.107,587 4.37,588 3.071,589 644.947,590 7.499,591 6637.01,592 1,593 1,595 1,596 172.974,597 1.342,598 4.334,599 0.146,601 0.076,602 0.071,603 0.024,604 0.028,605 0.019,606 0.012,607 0.007,608 0.008,609 0.39,610 0.83,611 1,612 0.532,613 92.787,614 -0.042,615 -0.135,616 0.054,617 -0.018,618 -0.067,619 0.021,620 0.034,621 0.058,622 0.049,623 0.085,624 0.036,625 0.075,626 -0.011,627 -0.118,628 -0.06,629 -0.132,630 -0.019,631 -0.11,632 -0.028,633 0.023,634 -0.142,635 -0.069,636 0.029,637 -0.107,638 -0.014,639 -0.244,640 -0.057,641 -0.22,643 -0.159,644 0.187,645 0.157,646 0.245,647 0.196,648 -0.033,649 0.214,650 -0.079,651 -0.241,652 -0.01,653 -0.15,654 0.059,655 -0.085,656 -0.573,657 0.179,658 -0.557,659 -0.023,660 -0.424,661 -0.234,662 1.767,663 5.152,664 0.857,665 12.327,666 1.001,667 1.111,668 1.668,669 2.781,670 0.714,671 3.219,672 3.584,673 3.932,674 4.263,675 4.454,676 4.489,677 4.663,678 4.796,679 4.745,680 4.787,681 4.779,682 0.689,683 275.33,684 3.219,685 4.779,686 5.666,687 6.575,688 7.479,689 8.392,690 9.302,691 10.216,692 11.127,693 12.041,694 8.8,701 1,702 1,704 1,708 2,709 8,710 1,714 3,715 1,716 16,735 34,737 18,738 1,739 24,741 37,742 17,743 13,744 2,745 4,746 3,748 4,749 6,762 16,763 1,767 2,772 1,774 1,776 2,779 1,780 1,783 13,784 3,785 1,786 4,792 3,796 0.5,797 1,808 1,810 1,814 2,815 2,818 2,828 1,833 1,834 1,842 2,846 1,850 21,858 1,872 2.9,875 1,879 10.167,880 6.567,881 4.5,882 1.968,884 3.909,885 1.539,886 1.069,887 2.61,888 11.159,889 3.555,890 4.23,891 4.917,892 5.572,893 6.116,894 6.448,895 6.939,896 7.397,897 7.63,898 8.021,899 1,900 34,901 7.734,903 3.379,904 7.698,905 14.788,907 12.462,909 2.198,910 46.167,911 0.001,914 141.253,915 114.131,916 36.695,918 25.145,921 114.131,922 166.398,923 36.695,924 8.396,925 18.011,926 75.381,927 58.406,928 25.404,929 13.915,930 117.711,932 141.253,933 150.827,934 25.145,937 141.253,938 25.145,941 31.714,942 92.851,943 26.262,945 141.253,946 61.84,947 114.131,950 141.253,951 21.306,952 94.724,953 18.011,954 41.93,955 141.253,956 61.84,957 114.131,959 0.589,960 0.362,961 0.212,962 0.113,963 20,964 8,965 0.027,966 1,967 2,968 1.222,969 3.345,970 174.398,971 0.222,972 18,973 88.239,979 12.215,980 4.487,981 1.851,982 2.272,983 59.941,984 15.571,985 4.316,989 2.515,990 2.063,991 18.011,992 317.225,993 34,998 12.152,1000 1.913,1002 0.513,1005 34.051,1006 37.78,1007 0.293,1008 0.718,1009 0.871,1010 0.961,1011 0.973,1012 0.973,1013 4.796,1014 1.22,1015 5.666,1016 2.937,1017 4.263,1018 4.916,1019 1.176,1020 6.538,1021 4.217,1022 6.038,1023 1,1024 7.259,1025 2.821,1026 3.892,1027 4.783,1029 7.535,1030 3.83,1031 7.372,1032 0.718,1033 8.955,1034 2.52,1035 5.905,1036 7.22,1037 1.255,1038 10.693,1039 5.817,1040 8.748,1041 -0.077,1042 10.713,1043 1.816,1044 6.399,1045 7.965,1047 12.554,1048 6.292,1049 10.16,1050 -0.557,1051 12.509,1052 -0.201,1053 7.883,1054 9.853,1055 1.338,1056 15.211,1057 7.754,1058 11.598,1059 -0.581,1060 14.332,1061 -1.341,1062 8.766,1063 11.014,1065 17.406,1066 8.617,1067 13.057,1068 -0.827,1069 16.175,1070 -1.455,1071 10.046,1072 12.676,1073 1.422,1074 19.894,1075 9.876,1076 3.235,1077 -0.922,1078 18.032,1079 -2.06,1080 11.095,1081 14.03,1083 22.214,1084 10.904,1085 3.109,1086 11.122,1087 19.899,1088 -2.306,1089 12.298,1090 15.6,1091 1.51,1092 24.643,1093 12.087,1094 2.234,1095 10.732,1096 21.774,1097 4.611,1098 13.414,1099 17.042,1101 27.01,1102 13.182,1103 2.017,1104 7.05,1105 23.656,1106 4.086,1107 14.589,1108 18.576,1109 1.599,1110 29.418,1111 14.337,1112 1.864,1113 6.266,1114 25.543,1115 3.111,1116 15.731,1117 20.056,1119 31.803,1120 15.459,1121 1.669,1122 5.112,1123 27.434,1124 2.756,1125 16.897,1126 21.577,1127 1.69,1128 34.203,1129 16.604,1130 1.354,1131 4.847,1132 29.328,1133 2.645,1134 18.05,1135 23.077,1137 36.594,1138 17.738,1139 4069,1140 6630,1141 16.414,1142 24.279,1143 37.421,1144 38.125,1145 38.107,1146 36.834,1147 36.837,1148 51.263,1149 2.117,1150 110.444,1151 35.993,1152 5.466,1153 5.655,1154 6.454,1155 5.255,1156 5.235,1157 7.611,1158 2.117,1159 18.184,1160 5.177,1161 7.639,1162 1.559,1163 1.589,1164 1.588,1165 1.535,1166 1.535,1167 2.136,1168 0.088,1169 4.602,1170 1.5,1171 4.153,1172 4.184,1173 4.117,1174 4.071,1175 7.429,1176 4.078,1177 3.953,1178 3.988,1179 3.919,1180 3.84,1181 4.961,1182 3.854,1183 3.497,1184 3.542,1185 3.418,1186 3.404,1187 4.87,1188 3.4,1189 3.411,1190 3.465,1191 3.312,1192 3.238,1193 4.325,1194 3.249,1195 3.123,1196 3.189,1197 3.005,1198 2.941,1199 4.112,1200 2.944,1201 2.833,1202 2.909,1203 2.724,1204 2.663,1205 3.943,1206 2.664,1207 2.794,1208 2.881,1209 2.569,1210 2.615,1211 3.754,1212 2.596,1213 2.613,1214 2.647,1215 2.539,1216 2.394,1217 3.539,1218 2.433,1219 0.194,1220 0.152,1221 0.282,1222 0.176,1223 0.135,1224 4.657,1225 0.192,1226 3.655,1227 0.044,1228 6.773,1229 0.463,1230 4.217,1231 0.132,1232 3.235,1233 4.611,1234 1.058,1235 11.122,1236 3.177,1237 1.947,1238 1.926,1239 2.037,1240 2.027,1241 1.175,1242 2.031,1243 1.823,1244 1.791,1245 1.917,1246 1.946,1247 0.999,1248 1.939,1249 1.65,1250 1.609,1251 1.792,1252 1.82,1253 0.877,1254 1.814,1255 1.395,1256 1.345,1257 1.585,1258 1.621,1259 0.651,1260 1.601,1261 1.102,1262 1.053,1263 1.29,1264 1.327,1265 0.343,1266 1.329,1267 0.932,1268 0.879,1269 1.158,1270 1.1,1271 0.202,1272 1.129,1273 0.803,1274 0.735,1275 1.053,1276 0.976,1277 0.181,1278 1.006,1279 0.682,1280 0.595,1281 1.009,1282 0.909,1283 0.086,1284 0.953,1285 3.892,1287 5.242,1288 3.045,1289 6.79,1290 5.533,1291 8.426,1292 7.711,1293 10.108,1295 2.005,1303 2.846,1312 23.413,1313 50.626,1314 124.18,1315 150.709,1316 166.219,1317 168.219,1318 168.219,1319 24.96,1320 7.25,1321 50.68,1322 50.68,1323 22,1324 12.554,1325 4.248,1326 3.459,1327 27.912,1328 61,1329 50,1330 0.233,1331 142.299,1332 238.55,1333 338.97,1334 13046,1336 14.397,1337 0.686,1338 0.548,1339 14.397,1340 11.499,1341 10.237,1342 0.427,1343 0.282,1344 6.686,1345 9.938,1346 6.509,1347 5.406,1348 10.237,1349 6.764,1350 9.406,1351 0.269,1352 0.146,1353 9.406,1354 5.124,1355 8.384,1356 0.168,1357 0.076,1358 8.384,1359 3.783,1360 7.502,1361 0.107,1362 0.04,1363 7.502,1364 2.795,1365 6.078,1366 0.072,1367 0.022,1368 6.078,1369 1.837,1370 0.351,1371 63.522,1372 0.247,1373 20.324,1374 0.68,1375 118,1376 317.359,1377 126.07,1378 315.201,1379 443.74,1380 296,1381 144,1382 339.172,1383 153.015,1384 347.992,1385 513.39,1386 328,1387 5.9} {0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,119 40.5,124 1,125 2,142 4,143 1,144 5,146 1,152 1,158 1,160 1,168 1,172 2,174 1,175 2,178 1,180 3,183 4,187 1,188 4,191 1,193 5,196 3,200 2,203 2,204 2,208 3,212 1,216 3,218 1,221 4,224 2,225 2,228 2,230 2,233 3,238 1,239 8,244 4,247 1,253 6,257 1,261 1,266 2,269 1,271 1,278 1213,279 17.922,280 17.922,281 17.922,282 17.922,283 17.922,284 15.746,285 18.997,286 10.554,287 18.585,288 14.227,289 14.227,290 14.227,291 14.227,292 14.227,293 10.912,294 21.153,295 4.957,296 15.422,297 3.353,298 1.078,299 0.494,300 0.208,301 0.208,302 0.208,303 4.016,304 1,307 1,308 1,309 553,310 3.536,313 66.456,314 150.725,317 114.279,321 1.317,322 41.631,325 1,326 0.83,327 1,328 0.6,330 1,331 1,332 0.78,333 60.583,334 265,335 4.714,336 4.038,337 6.907,338 4.258,339 3.294,340 4.67,341 2.095,342 11.539,343 3.175,344 4.256,345 3.489,346 6.343,347 3.807,348 2.878,349 3.9,350 0.776,351 9.524,352 2.692,353 4.109,354 3.223,355 6.047,356 3.688,357 2.728,358 3.664,359 0.4,360 8.648,361 2.558,362 3.719,363 3.179,364 5.738,365 3.307,366 2.364,367 3.105,369 7.429,370 2.202,371 3.45,372 2.777,373 5.009,374 2.959,375 2.101,376 2.765,378 5.856,379 1.734,380 3.112,381 2.668,382 4.883,383 2.729,384 1.796,385 2.263,387 5.049,388 1.627,389 2.878,390 2.206,391 4.334,392 2.483,393 1.573,394 2.019,396 3.971,397 1.404,398 2.801,399 1.846,400 4.163,401 2.342,402 1.4,403 1.925,405 3.664,406 1.305,407 2.618,408 1.772,409 3.809,410 2.312,411 1.377,412 1.615,414 3.006,415 1.223,416 2.337,417 1.579,418 3.551,419 1.86,420 0.949,421 1.257,423 2.282,424 0.858,425 1.797,426 1.217,427 3.364,428 1.578,429 0.664,430 0.724,432 1.493,433 0.587,434 1.72,435 0.92,436 2.826,437 1.391,438 0.471,439 0.561,441 0.903,442 0.405,443 1.279,444 0.715,445 2.764,446 0.838,447 -0.006,448 -0.007,450 -0.014,451 -0.004,452 1.065,453 0.527,454 2.432,455 0.65,456 -0.266,457 -0.313,459 -0.551,460 -0.236,461 0.797,462 0.24,463 2.359,464 0.494,465 -0.44,466 -0.521,468 -0.847,469 -0.264,470 13.433,471 0.498,472 0.754,473 0.028,474 34,475 1.259,476 16,477 0.593,478 18,479 0.667,480 24.068,481 0.891,482 29.167,483 0.694,484 26.718,485 0.99,486 6.889,487 0.255,488 6.029,489 0.223,490 0.261,492 0.365,495 1,497 0.744,498 1.144,499 0.484,500 0.767,501 0.662,502 0.773,503 0.938,504 1.005,505 0.584,506 0.67,507 0.73,508 0.712,509 0.871,510 1.093,511 0.976,512 0.962,513 0.846,514 0.946,515 1.02,516 1.14,517 0.708,518 0.893,519 1.089,520 0.94,521 1.119,522 1.081,523 0.409,524 0.733,525 1.342,526 0.779,527 1.29,528 1.367,529 0.662,530 0.939,531 1.494,532 0.967,533 1.248,534 1.075,535 0.652,536 0.902,537 1.308,538 1.005,539 1.15,540 0.893,541 0.901,542 0.854,543 1.013,544 0.892,545 5.5,546 0.123,547 3.778,548 2.194,549 2.129,550 1.285,551 0.801,552 0.585,553 0.417,554 0.198,555 7560,556 31134,557 1.992,558 35.7,560 11,562 1,563 3,568 1.709,569 1.82,570 3.224,571 1.055,573 1,578 85.632,579 2.039,580 4.315,581 4.898,582 5.184,583 5.184,584 5.184,585 2.658,586 4.607,587 4.72,588 3.374,589 1184.36,590 8.245,591 14907.7,596 226.477,597 1.541,598 4.659,599 0.19,600 0.009,601 0.092,602 0.05,603 0.052,604 0.031,605 0.019,606 0.016,607 0.013,608 0.009,609 0.481,610 0.33,611 1,612 1.539,613 131.576,614 -0.069,615 -0.097,616 -0.007,617 0.02,618 -0.089,619 0.025,620 -0.134,621 -0.008,622 0.02,623 0.162,624 -0.061,625 0.145,626 0.06,627 -0.065,628 -0.074,629 -0.024,630 0.037,631 -0.036,632 -0.042,633 -0.023,634 0.063,635 0.006,636 -0.074,637 -0.021,638 0.034,639 0.095,640 0.039,641 0.085,642 0.007,643 0.106,644 0.004,645 -0.046,646 -0.061,647 -0.07,648 0.024,649 -0.135,650 -0.188,651 -0.075,652 -0.026,653 -0.059,654 -0.166,655 -0.131,656 -0.096,657 0.033,658 0.079,659 0.123,660 -0.086,661 0.107,662 2.362,663 7.137,664 0.556,665 23.923,666 1.039,667 1.135,668 2.942,669 8.656,670 0.711,671 3.401,672 3.738,673 4.025,674 4.29,675 4.533,676 4.673,677 4.771,678 4.89,679 4.92,680 4.868,681 5.818,682 0.694,683 457.71,684 3.401,685 4.949,686 5.808,687 6.698,688 7.585,689 8.487,690 9.386,691 10.293,692 11.199,693 12.111,694 9.5,701 1,702 2,704 1,708 2,709 5,710 1,714 6,715 1,716 16,728 1,734 3,735 42,737 17,738 2,739 29,740 1,741 44,742 17,743 13,744 8,745 4,746 1,748 3,749 4,750 1,754 1,762 14,763 3,767 1,772 1,776 1,780 1,781 1,783 15,784 7,785 3,786 10,787 2,789 1,792 4,796 0.667,797 3,798 1,814 1,815 2,818 1,836 1,840 1,842 2,845 1,846 1,847 1,848 1,850 27,855 1,856 2,858 2,859 1,871 3,872 7.1,873 1,875 1,876 1,879 14.833,880 7.779,881 6.028,882 2.231,884 3.269,885 1.449,886 0.962,887 6.34,888 10.541,889 3.664,890 4.314,891 4.943,892 5.554,893 6.11,894 6.5,895 6.891,896 7.294,897 7.528,898 7.756,899 0.857,900 44,901 10.009,903 4.336,904 8.143,905 18.167,907 14.449,909 2.643,910 71.361,913 1,914 141.253,915 92.881,916 103.275,917 39.149,918 79.047,919 14.96,921 138.835,922 259.449,923 72.281,924 8.396,925 25.217,926 80.588,927 78.244,928 46.43,929 17.104,930 129.482,931 85.103,932 141.253,933 150.202,934 94.007,935 39.149,936 45.954,937 156.213,938 25.145,939 53.902,941 55.89,942 77.526,943 55.934,944 45.954,945 156.213,946 136.367,947 177.984,950 141.253,951 37.961,952 56.819,953 84.59,954 149.941,955 141.253,956 151.328,957 177.984,959 0.582,960 0.344,961 0.181,962 0.102,963 19,964 10,965 0.136,966 6,967 1,968 1.133,969 3.693,970 233.122,971 0.133,972 15,973 128.382,979 20.044,980 8.541,981 4.253,982 0.549,983 149.429,984 7.978,985 4.044,989 0.733,990 1.597,991 81.319,992 470.565,993 38,998 12.504,1002 -0.679,1005 43.64,1006 47.653,1007 0.378,1008 0.8,1009 0.908,1010 0.961,1011 0.961,1012 0.961,1013 4.905,1014 1.4,1015 5.814,1016 3.971,1017 4.419,1018 5.001,1019 2.425,1020 6.663,1021 4.272,1022 6.142,1023 1.377,1024 7.404,1025 3.664,1026 4.111,1027 4.997,1029 7.65,1030 3.868,1031 7.477,1032 0.949,1033 9.097,1034 3.006,1035 6.047,1036 7.302,1037 3.697,1038 10.784,1039 5.807,1040 8.852,1041 0.664,1042 10.848,1043 2.282,1044 6.553,1045 8.124,1047 12.59,1048 6.241,1049 10.26,1050 0.471,1051 12.636,1052 1.493,1053 7.986,1054 9.935,1055 5.14,1056 15.259,1057 7.669,1058 11.692,1059 -0.006,1060 14.45,1061 0.903,1062 8.854,1063 11.129,1065 17.407,1066 8.483,1067 13.142,1068 -0.266,1069 16.283,1070 -0.014,1071 10.104,1072 12.757,1073 6.612,1074 19.918,1075 9.717,1076 3.294,1077 -0.44,1078 18.13,1079 -0.551,1080 11.136,1081 14.125,1083 22.219,1084 10.705,1085 2.878,1086 11.539,1087 19.988,1088 -0.847,1089 12.322,1090 15.684,1091 8.09,1092 24.675,1093 11.869,1094 2.728,1095 9.524,1096 21.855,1097 4.67,1098 13.428,1099 17.135,1101 27.047,1102 12.937,1103 2.364,1104 8.648,1105 23.73,1106 3.9,1107 14.596,1108 18.671,1109 9.57,1110 29.486,1111 14.078,1112 2.101,1113 7.429,1114 25.611,1115 3.664,1116 15.737,1117 20.163,1119 31.892,1120 15.185,1121 1.796,1122 5.856,1123 27.497,1124 3.105,1125 16.904,1126 21.693,1127 11.049,1128 34.328,1129 16.322,1130 1.573,1131 5.049,1132 29.388,1133 2.765,1134 18.062,1135 23.206,1137 36.751,1138 17.448,1139 7581,1140 15494,1141 18.611,1142 29.864,1143 43.574,1144 47.308,1145 46.09,1146 43.577,1147 43.192,1148 56.939,1149 6.542,1150 126.727,1151 39.542,1152 5.603,1153 6.038,1154 6.817,1155 5.307,1156 5.294,1157 7.67,1158 4.191,1159 19.207,1160 5.175,1161 16.18,1162 1.503,1163 1.631,1164 1.589,1165 1.503,1166 1.489,1167 1.963,1168 0.226,1169 4.37,1170 1.364,1171 4.134,1172 4.172,1173 6.88,1174 4.012,1175 8.201,1176 4.031,1177 3.893,1178 3.915,1179 4.119,1180 3.855,1181 7.429,1182 3.837,1183 3.624,1184 3.663,1185 3.944,1186 3.385,1187 6.457,1188 3.42,1189 3.497,1190 3.548,1191 3.569,1192 3.265,1193 4.996,1194 3.279,1195 3.25,1196 3.298,1197 3.38,1198 3.012,1199 4.923,1200 3.034,1201 3.021,1202 3.104,1203 3.238,1204 2.915,1205 4.634,1206 2.872,1207 2.893,1208 2.954,1209 3.16,1210 2.789,1211 4.366,1212 2.763,1213 2.877,1214 2.922,1215 2.813,1216 2.615,1217 4.248,1218 2.65,1219 0.163,1220 0.139,1221 0.238,1222 0.147,1223 0.114,1224 4.714,1225 0.161,1226 4.038,1227 0.072,1228 6.907,1229 0.398,1230 4.258,1231 0.109,1232 3.294,1233 4.67,1234 2.095,1235 11.539,1236 3.175,1237 1.956,1238 1.936,1239 1.996,1240 2.066,1241 1.174,1242 2.048,1243 1.841,1244 1.826,1245 1.887,1246 1.912,1247 1.049,1248 1.922,1249 1.498,1250 1.426,1251 1.738,1252 1.788,1253 0.946,1254 1.766,1255 1.461,1256 1.403,1257 1.693,1258 1.742,1259 0.754,1260 1.729,1261 1.205,1262 1.178,1263 1.302,1264 1.494,1265 0.261,1266 1.436,1267 0.995,1268 0.949,1269 1.179,1270 1.243,1271 0.256,1272 1.226,1273 0.868,1274 0.824,1275 1.129,1276 1.149,1277 0.172,1278 1.176,1279 0.855,1280 0.758,1281 1.085,1282 1.015,1283 0.126,1284 1.058,1285 4.078,1287 5.407,1288 2.398,1289 6.932,1290 4.727,1291 8.558,1292 6.823,1293 10.241,1294 3.304,1295 1.692,1296 6.201,1297 15.137,1300 8.767,1301 -0.363,1303 5.044,1304 4.853,1312 29.154,1313 85.632,1314 181.216,1315 205.722,1316 217.722,1317 217.722,1318 217.722,1319 68.247,1320 7.272,1321 88.41,1322 88.41,1323 17,1324 12.626,1325 4.17,1326 3.322,1327 46.543,1328 89,1329 120,1330 0.25,1331 188.852,1332 322.69,1333 452.558,1334 12800,1335 7.1,1336 19.552,1337 0.724,1338 0.609,1339 20.181,1340 16.435,1341 12.918,1342 0.445,1343 0.31,1344 7.712,1345 11.365,1346 7.489,1347 6.157,1348 13.356,1349 8.977,1350 11.669,1351 0.285,1352 0.169,1353 12.426,1354 6.912,1355 9.859,1356 0.179,1357 0.083,1358 10.171,1359 4.56,1360 7.964,1361 0.111,1362 0.044,1363 8.532,1364 3.189,1365 6.314,1366 0.069,1367 0.022,1368 6.491,1369 2.012,1370 0.38,1371 94.181,1372 0.232,1373 25.445,1374 0.728,1375 140,1376 554.546,1377 239.385,1378 566.313,1379 730.5,1380 524,1381 166,1382 471.144,1383 225.954,1384 489.793,1385 717.91,1386 458,1387 5} {0 CHEMBL1614705,1 1.819,2 10.621,3 2.832,4 8.02,5 107.681,6 8.664,7 0.531,8 3.998,9 4.11,10 3.681,11 3.537,12 5.19,13 3.539,14 4.532,15 4.692,16 4.061,17 3.948,18 5.693,19 3.928,20 4.804,21 4.999,22 4.158,23 4.106,24 5.984,25 4.056,26 4.877,27 5.077,28 4.202,29 4.113,30 6.088,31 4.07,32 4.932,33 5.156,34 4.127,35 4.116,36 6.044,37 4.068,38 4.891,39 5.117,40 4.108,41 4.096,42 6.01,43 4.032,44 4.824,45 5.042,46 4.083,47 4.062,48 5.959,49 3.985,50 4.83,51 5.073,52 3.956,53 3.915,54 6.032,55 3.827,56 0.15,57 0.805,58 7.603,59 4.123,60 17.18,61 4.819,62 0.374,63 1.283,64 16.01,65 6.891,66 35.541,67 8.414,68 0.637,69 1.567,70 26.722,71 9.704,72 80.935,73 12.205,74 0.765,75 1.674,76 28.729,77 10.062,78 97.697,79 12.472,80 0.796,81 1.735,82 29.916,83 10.036,84 98.463,85 12.939,86 0.766,87 1.676,88 28.898,89 9.812,90 86.703,91 12.801,92 0.586,93 1.606,94 26.871,95 10.25,96 64.396,97 13.122,98 0.841,99 1.526,100 31.558,101 10.025,102 103.06,103 12.758,104 19,105 45,106 0.307,107 0.692,108 0.838,109 0.866,110 0.866,111 0.866,112 3.409,113 0.904,114 -4.04,115 -3.99,116 -3.78,119 41.7,121 2,122 1,125 3,142 4,143 2,144 2,145 1,146 2,148 1,152 1,158 1,168 1,172 4,174 2,175 7,180 2,183 9,188 3,191 2,193 3,196 5,199 1,200 10,203 1,205 2,208 6,213 5,216 1,218 4,221 6,224 2,225 5,228 1,230 1,233 7,238 1,239 6,242 1,244 1,247 4,252 1,253 4,257 1,258 1,261 2,265 2,266 4,269 1,274 2,278 1481,279 19.784,280 19.784,281 19.784,282 19.784,283 19.784,284 17.602,285 16.683,286 11.579,287 20.28,288 15.708,289 15.708,290 15.708,291 15.708,292 15.708,293 12.397,294 16.542,295 5.383,296 16.542,297 3.766,298 1.491,299 0.625,300 0.458,301 0.458,302 0.458,303 4.103,304 1,307 1,308 1,309 661,310 2.915,313 81.259,314 276.74,321 1.565,322 41.054,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 64.333,334 308,335 4.642,336 3.728,337 7.017,338 4.284,339 3.304,340 4.366,341 2.035,342 12.022,343 3.236,344 4.194,345 3.41,346 6.316,347 3.838,348 2.873,349 3.814,350 0.642,351 9.467,352 2.767,353 3.952,354 3.155,355 6.022,356 3.714,357 2.757,358 3.268,359 0.129,360 8.534,361 2.63,362 3.757,363 2.764,364 5.773,365 3.427,366 2.452,367 3.099,369 7.757,370 2.385,371 3.592,372 2.613,373 5.23,374 3.162,375 2.248,376 2.888,378 6.381,379 2.03,380 3.238,381 2.287,382 4.846,383 2.833,384 1.91,385 2.419,387 5.243,388 1.708,389 2.924,390 2.174,391 4.508,392 2.525,393 1.577,394 2.095,396 4.209,397 1.463,398 2.853,399 1.641,400 4.131,401 2.414,402 1.478,403 1.944,405 3.484,406 1.376,407 2.653,408 1.425,409 3.923,410 2.263,411 1.302,412 1.671,414 3.125,415 1.241,416 2.5,417 1.403,418 3.83,419 1.984,420 1,421 1.5,423 2.766,424 0.983,425 2.322,426 1.096,427 3.436,428 1.949,429 1,430 1.257,432 2.275,433 0.939,434 2.252,435 1.077,436 3.414,437 1.942,438 0.996,439 1.16,441 2.136,442 0.936,443 2,444 1,445 3.247,446 1.762,447 0.797,448 1,450 2.041,451 0.767,452 1.469,453 0.803,454 2.846,455 1.143,456 0.221,457 0.249,459 0.309,460 0.197,461 1.299,462 0.41,463 2.542,464 0.908,470 13.667,471 0.471,472 0.678,473 0.023,474 36.75,475 1.267,476 17.5,477 0.603,478 19.25,479 0.664,480 25.676,481 0.885,482 31.333,483 0.653,484 28.563,485 0.985,486 7.265,487 0.251,488 6.814,489 0.235,490 0.122,492 0.359,495 1,497 0.681,498 1.147,499 0.595,500 0.959,501 0.607,502 0.873,503 0.759,504 1.05,505 0.716,506 0.904,507 0.64,508 0.901,509 0.811,510 1.048,511 0.893,512 0.976,513 0.75,514 0.965,515 0.88,516 1.07,517 0.84,518 1.049,519 0.929,520 1.039,521 0.965,522 0.948,523 0.753,524 0.841,525 0.954,526 0.912,527 0.825,528 0.89,529 0.804,530 0.892,531 0.767,532 0.979,533 0.788,534 1.165,535 0.823,536 1.095,537 0.814,538 1.103,539 1.086,540 1.159,541 0.998,542 1.069,543 1.181,544 1.096,545 5,546 0.149,547 3.778,548 2.028,549 1.772,550 1.254,551 0.603,552 0.466,553 0.439,554 0.283,555 9839,556 34431,557 2.09,558 39.6,560 10,562 2,563 2,564 1,565 4,568 1.726,569 1.955,570 3.328,571 0.296,572 1,573 1,578 87.319,579 1.819,580 4.094,581 4.96,582 5.127,583 5.127,584 5.127,585 2.86,586 4.392,587 4.823,588 3.495,589 1418.97,590 8.442,591 18614.6,593 1,595 1,596 268.078,597 1.416,598 4.788,599 0.156,600 0.008,601 0.084,602 0.042,603 0.037,604 0.027,605 0.014,606 0.011,607 0.013,608 0.012,609 0.404,610 0.33,611 1,612 0.897,613 145.011,614 -0.048,615 -0.075,616 0.012,617 0.002,618 -0.036,619 0.02,620 -0.051,621 -0.028,622 -0.001,623 0.041,624 -0.009,625 0.018,626 0.003,627 -0.067,628 -0.014,629 0.008,630 0.059,631 0.018,632 0.013,633 -0.06,634 -0.012,635 -0.095,637 -0.08,638 -0.103,639 -0.003,640 -0.003,641 0.073,642 -0.104,643 0.047,644 -0.024,645 0.073,646 -0.01,647 0.033,648 -0.044,649 -0.012,650 0.024,651 -0.136,652 0.03,653 -0.105,654 -0.025,655 -0.092,656 -0.003,657 -0.064,658 -0.005,659 -0.079,660 -0.064,661 -0.083,662 2.13,663 6.624,664 0.793,665 28.145,666 1.022,667 1.136,668 2.807,669 7.881,670 0.684,671 3.497,672 3.829,673 4.143,674 4.431,675 4.673,676 4.812,677 4.977,678 5.124,679 5.247,680 5.288,681 6.187,682 0.666,683 415.89,684 3.497,685 5.043,686 5.911,687 6.801,688 7.69,689 8.592,690 9.491,691 10.399,692 11.304,693 12.216,694 10.4,701 1,702 1,704 3,709 6,710 3,711 1,714 7,716 17,734 2,735 48,737 18,738 1,739 32,741 51,742 20,743 13,744 3,745 3,748 4,749 4,750 1,754 1,757 2,758 1,760 2,762 14,763 6,764 1,767 1,772 1,776 1,780 1,781 1,783 19,784 7,785 2,786 9,787 1,792 5,796 1,797 2,798 1,806 1,809 1,814 1,815 3,829 1,840 1,842 4,847 1,848 1,850 29,855 1,856 5,861 1,862 1,871 2,872 4.2,873 1,875 1,879 14.833,880 8.536,881 6.444,882 2.869,884 2.765,885 1.365,886 0.972,887 5.791,888 10.334,889 3.75,890 4.334,891 4.923,892 5.509,893 6.014,894 6.354,895 6.772,896 7.194,897 7.569,898 7.823,899 1,900 48,901 10.767,903 4.721,904 8.01,905 20.092,907 16.748,909 2.51,910 72.778,913 1,914 200.109,915 96.819,916 70.021,917 39.149,918 67.828,919 14.96,921 96.819,922 307.086,923 84.982,925 12.405,926 80.588,927 103.626,928 58.835,929 17.717,930 176.567,931 39.149,932 200.109,933 166.841,934 82.788,935 39.149,937 167.984,938 72.229,939 42.683,941 52.247,942 64.359,943 89.383,945 215.069,946 137.85,947 135.968,950 200.109,951 41.248,952 58.695,953 16.663,954 172.171,955 200.109,956 152.81,957 135.968,959 0.58,960 0.35,961 0.191,962 0.104,963 22,964 10,965 0.078,966 4,968 1,969 3.931,970 265.982,972 23,973 136.881,979 19.807,980 8.478,981 3.98,983 136.147,984 9.312,985 12.726,986 3.078,989 2.854,991 59.346,992 488.886,993 41.5,998 11.739,1002 -0.27,1005 49.069,1006 54.516,1007 0.326,1008 0.733,1009 0.888,1010 0.918,1011 0.918,1012 0.918,1013 4.992,1014 1.478,1015 5.9,1016 4.209,1017 4.511,1018 5.021,1019 2.181,1020 6.744,1021 4.417,1022 6.191,1023 1.302,1024 7.479,1025 3.484,1026 4.111,1027 4.783,1028 1.668,1029 7.738,1030 3.964,1031 7.498,1032 1,1033 9.163,1034 3.125,1035 6.129,1036 7.183,1037 3.202,1038 10.877,1039 5.973,1040 8.842,1041 1,1042 10.91,1043 2.766,1044 6.581,1045 7.804,1046 3.285,1047 12.741,1048 6.393,1049 10.222,1050 0.996,1051 12.698,1052 2.275,1053 8.057,1054 9.662,1055 4.455,1056 15.413,1057 7.856,1058 11.627,1059 0.797,1060 14.515,1061 2.136,1062 8.893,1063 10.692,1064 4.821,1065 17.63,1066 8.671,1067 13.052,1068 0.221,1069 16.354,1070 2.041,1071 10.164,1072 12.325,1073 5.791,1074 20.158,1075 9.925,1076 3.304,1078 18.209,1079 0.309,1080 11.178,1081 13.564,1082 6.307,1083 22.526,1084 10.922,1085 2.873,1086 12.022,1087 20.077,1089 12.374,1090 15.098,1091 7.166,1092 25.013,1093 12.101,1094 2.757,1095 9.467,1096 21.956,1097 4.366,1098 13.472,1099 16.444,1100 7.764,1101 27.444,1102 13.182,1103 2.452,1104 8.534,1105 23.843,1106 3.814,1107 14.645,1108 17.935,1109 8.56,1110 29.923,1111 14.338,1112 2.248,1113 7.757,1114 25.738,1115 3.268,1116 15.782,1117 19.338,1118 9.206,1119 32.383,1120 15.459,1121 1.91,1122 6.381,1123 27.64,1124 3.099,1125 16.952,1126 20.811,1127 9.966,1128 34.862,1129 16.612,1130 1.577,1131 5.243,1132 29.547,1133 2.888,1134 18.11,1135 22.244,1136 10.639,1137 37.335,1138 17.754,1139 9519,1140 17925,1141 21.383,1142 32.824,1143 48.388,1144 49.634,1145 50.33,1146 48.056,1147 47.829,1148 61.46,1149 5.612,1150 139.499,1151 45.316,1152 5.642,1153 5.728,1154 6.819,1155 5.355,1156 5.304,1157 7.366,1158 3.579,1159 19.548,1160 5.236,1161 14.306,1162 1.512,1163 1.551,1164 1.573,1165 1.502,1166 1.495,1167 1.921,1168 0.175,1169 4.359,1170 1.416,1171 4.083,1172 4.124,1173 4.084,1174 3.976,1175 8.201,1176 3.987,1177 3.863,1178 3.901,1179 3.915,1180 3.769,1181 7.429,1182 3.769,1183 3.796,1184 3.845,1185 3.73,1186 3.637,1187 6.45,1188 3.65,1189 3.632,1190 3.693,1191 3.611,1192 3.413,1193 5.075,1194 3.445,1195 3.423,1196 3.464,1197 3.371,1198 3.2,1199 4.92,1200 3.222,1201 3.111,1202 3.206,1203 3.236,1204 2.941,1205 4.84,1206 2.91,1207 2.953,1208 3.012,1209 2.866,1210 2.808,1211 4.245,1212 2.803,1213 2.898,1214 2.957,1215 2.8,1216 2.733,1217 4.157,1218 2.733,1219 0.145,1220 0.116,1221 0.219,1222 0.134,1223 0.103,1224 4.642,1225 0.136,1226 3.728,1227 0.064,1228 7.017,1229 0.376,1230 4.284,1231 0.101,1232 3.304,1233 4.366,1234 2.035,1235 12.022,1236 3.236,1237 1.926,1238 1.904,1239 2.055,1240 2.049,1241 1.43,1242 2.053,1243 1.855,1244 1.814,1245 1.956,1246 1.982,1247 1.099,1248 1.978,1249 1.737,1250 1.69,1251 1.841,1252 1.906,1253 0.895,1254 1.892,1255 1.438,1256 1.4,1257 1.617,1258 1.711,1259 0.825,1260 1.678,1261 1.235,1262 1.202,1263 1.513,1264 1.547,1265 0.744,1266 1.51,1267 1.192,1268 1.109,1269 1.422,1270 1.376,1271 0.576,1272 1.429,1273 1.153,1274 1.064,1275 1.278,1276 1.372,1277 0.374,1278 1.364,1279 0.86,1280 0.804,1281 1.113,1282 1.097,1283 0.18,1284 1.101,1285 4.174,1287 5.501,1288 2.398,1289 7.033,1290 4.727,1291 8.654,1292 6.862,1293 10.323,1296 5.901,1297 14.624,1300 9.071,1301 1.998,1306 0.097,1307 1.65,1312 31.962,1313 87.319,1314 196.515,1315 238.078,1316 246.078,1317 246.078,1318 246.078,1319 64.387,1320 7.569,1321 95,1322 95,1323 23,1324 12.731,1325 4.248,1326 3.392,1327 44.382,1328 101,1329 131,1330 0.208,1331 198.192,1332 342.52,1333 475.349,1334 17620,1335 4.2,1336 20.38,1337 0.703,1338 0.56,1339 20.01,1340 16.233,1341 14.08,1342 0.44,1343 0.301,1344 9.145,1345 13.139,1346 8.985,1347 7.347,1348 13.958,1349 9.647,1350 12.5,1351 0.278,1352 0.163,1353 12.369,1354 7.329,1355 10.935,1356 0.176,1357 0.088,1358 10.842,1359 5.445,1360 9.155,1361 0.11,1362 0.047,1363 8.762,1364 3.902,1365 7.275,1366 0.069,1367 0.026,1368 7.325,1369 2.763,1370 0.317,1371 92.242,1372 0.216,1373 27.074,1374 0.598,1375 154,1376 539.113,1377 186.024,1378 522.075,1379 688.07,1380 486,1381 184,1382 469.193,1383 210.98,1384 476.953,1385 699.58,1386 449,1387 5.9} {0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,119 45.9,120 1,121 1,124 2,125 1,127 2,128 1,131 1,142 8,143 6,152 4,158 1,172 13,174 2,175 11,178 1,180 3,183 14,187 3,188 12,191 1,193 2,196 13,200 16,203 3,205 3,208 17,212 2,213 15,216 2,218 2,221 19,224 1,225 13,230 10,233 18,238 1,239 8,242 1,244 10,247 12,253 4,256 1,258 2,261 10,265 1,266 1,269 1,270 1,274 4,278 1554,279 24.479,280 24.479,281 24.479,282 24.479,283 24.479,284 21.802,285 28.268,286 13.618,287 25.037,288 20.655,289 20.655,290 20.655,291 20.655,292 20.655,293 16.241,294 43.083,295 6.255,296 21.485,297 4.419,298 2.197,299 0.988,300 0.627,301 0.496,302 0.365,303 4.332,308 1,309 655,310 3.606,313 83.28,314 145.816,315 35.366,317 304.128,318 103.607,319 57.287,320 460.14,321 0.986,322 31.918,325 1,326 0.67,327 1,328 0.8,329 0.5,330 1,331 1,332 0.85,333 75,334 282,335 5.131,336 4.031,337 8.018,338 4.73,339 3.785,340 5.285,341 1.157,342 15.502,343 3.602,344 4.747,345 3.722,346 7.443,347 4.418,348 3.454,349 4.71,350 1.081,351 13.599,352 3.307,353 4.507,354 3.378,355 6.984,356 4.144,357 3.178,358 3.952,359 0.86,360 11.874,361 3.072,362 4.188,363 3.256,364 6.655,365 3.852,366 2.872,367 3.612,368 0.473,369 10.548,370 2.807,371 3.861,372 2.75,373 6.172,374 3.462,375 2.505,376 3.412,377 0.4,378 8.784,379 2.39,380 3.691,381 2.678,382 6.05,383 3.365,384 2.389,385 3.043,386 0.297,387 8.42,388 2.333,389 3.521,390 2.532,391 5.844,392 3.181,393 2.236,394 2.862,396 7.654,397 2.107,398 3.408,399 2.327,400 5.654,401 3.06,402 2.07,403 2.62,405 7.069,406 2.039,407 3.126,408 2.011,409 5.264,410 2.736,411 1.766,412 2.23,414 5.664,415 1.703,416 2.932,417 1.901,418 4.97,419 2.54,420 1.589,421 2.097,423 4.926,424 1.508,425 2.867,426 1.705,427 4.719,428 2.428,429 1.435,430 1.997,432 4.264,433 1.418,434 2.855,435 1.494,436 4.14,437 2.38,438 1.381,439 1.957,441 3.045,442 1.378,443 2.662,444 1.399,445 4.027,446 2.198,447 1.228,448 1.722,450 2.917,451 1.19,452 2.371,453 1.286,454 3.853,455 2.063,456 1.138,457 1.342,459 2.822,460 1.044,461 2.126,462 1.149,463 3.658,464 1.879,465 0.939,466 1.064,468 2.394,469 0.876,470 16.6,471 0.474,472 1.022,473 0.029,474 44.25,475 1.264,476 19.5,477 0.557,478 24.75,479 0.707,480 38.341,481 1.095,482 36.2,483 0.593,484 38.554,485 1.102,486 8.525,487 0.244,488 8.555,489 0.244,490 0.11,491 0.03,492 0.47,497 0.835,498 1.254,499 0.724,500 1.006,501 0.653,502 0.868,503 1.08,504 0.99,505 0.771,506 0.782,507 0.702,508 0.734,509 1.178,510 0.948,511 0.845,512 0.816,513 0.866,514 0.782,515 1.13,516 1.078,517 0.889,518 0.967,519 0.838,520 0.905,521 1.163,522 1.028,523 1.047,524 1.013,525 0.793,526 1.007,527 0.983,528 1.072,529 1.033,530 1.076,531 0.852,532 1.062,533 0.911,534 1.07,535 1.128,536 1.151,537 1.067,538 1.171,539 0.945,540 1.048,541 1.216,542 1.192,543 1.274,544 1.241,545 5.5,546 0.025,547 4.667,548 4.84,549 3.922,550 2.588,551 2.086,552 0.973,553 0.411,554 0.147,555 14300,556 32464,557 2.268,558 42.6,560 18,561 1,563 2,566 3,567 2,568 1.784,569 2.111,570 2.956,571 0.134,578 92.203,579 1.512,580 3.734,581 4.943,582 5.303,583 5.435,584 5.566,585 2.248,586 4.879,587 5.104,588 3.062,589 1821.68,590 9.056,591 24785.1,596 361.775,597 1.549,598 5.058,599 0.131,600 0.006,601 0.069,602 0.057,603 0.04,604 0.027,605 0.024,606 0.015,607 0.012,608 0.009,609 0.39,610 0.5,611 0.75,612 0.74,613 176.229,614 -0.039,615 -0.127,616 0.085,617 -0.022,618 -0.069,619 0.039,620 0.025,621 0.11,622 0.133,623 0.176,624 0.003,625 0.171,626 0.021,627 0.123,628 0.086,629 0.145,630 -0.019,631 0.13,632 -0.05,633 -0.027,634 0.031,635 0.007,636 -0.01,637 0.025,638 -0.078,639 0.018,640 -0.099,641 -0.05,642 -0.007,643 -0.072,644 -0.06,645 -0.083,646 -0.068,647 -0.089,648 0.009,649 -0.08,650 -0.002,651 -0.123,652 -0.134,653 -0.156,654 0.019,655 -0.163,656 -0.054,657 -0.137,658 -0.187,659 -0.192,660 -0.098,661 -0.208,662 2.01,663 6.322,664 0.829,665 25.211,666 1.002,667 1.118,668 2.464,669 6.07,670 0.685,671 3.761,672 4.234,673 4.727,674 5.226,675 5.652,676 6.045,677 6.441,678 6.802,679 7.081,680 7.347,681 5.059,682 0.656,683 466.58,684 3.761,685 5.398,686 6.365,687 7.357,688 8.348,689 9.353,690 10.354,691 11.364,692 12.369,693 13.381,694 6.6,696 1,701 1,702 2,708 8,709 8,714 2,715 2,716 24,723 1,735 61,737 25,738 3,739 42,741 68,742 28,743 18,744 10,745 8,746 1,748 8,749 80,754 1,757 4,760 4,762 19,763 9,767 1,772 1,776 1,783 26,784 5,785 2,786 7,792 4,796 0.125,797 3,810 2,814 3,815 4,816 1,818 6,819 2,820 1,821 7,837 1,841 2,842 1,846 3,850 35,856 2,858 2,859 2,861 3,863 1,872 4.9,875 1,876 2,879 16.583,880 12.067,881 7.347,882 3.789,884 5.329,885 1.503,886 1.089,887 3.859,888 15.919,889 4.025,890 4.787,891 5.612,892 6.453,893 7.231,894 7.931,895 8.645,896 9.319,897 9.871,898 10.431,899 0.667,900 85,901 13.078,903 6.105,904 7.545,905 25.55,907 23.506,909 2.045,910 71.583,914 282.506,915 138.499,916 39.82,918 47.145,921 138.499,922 329.651,923 39.82,924 28.105,925 22.651,926 93.821,927 51.849,928 20.461,929 20.348,930 270.735,932 282.506,933 178.319,934 47.145,937 247.193,938 60.458,939 22,941 53.285,942 125.034,945 282.506,946 86.964,947 138.499,950 282.506,951 34.584,952 107.713,953 36.022,954 47.145,955 282.506,956 86.964,957 138.499,959 0.603,960 0.395,961 0.252,962 0.152,963 43,964 18,965 0.029,966 2,967 10,968 1.586,969 4.034,970 446.328,971 0.69,972 26,973 177.525,979 20.312,980 6.65,981 2.213,982 8.778,983 83.166,984 16.886,989 1.884,990 4.7,991 36.022,992 507.97,993 55,998 13.322,1002 0.004,1005 61.109,1006 68.189,1007 0.255,1008 0.63,1009 0.833,1010 0.894,1011 0.916,1012 0.938,1013 5.357,1014 2.07,1015 6.425,1016 7.654,1017 4.92,1018 5.476,1019 2.133,1020 7.461,1021 4.844,1022 6.635,1023 1.766,1024 8.118,1025 7.069,1026 4.796,1027 5.602,1029 8.844,1030 4.675,1031 8.027,1032 1.589,1033 9.919,1034 5.664,1035 6.744,1036 7.923,1037 2.149,1038 12.085,1039 6.587,1040 9.463,1041 1.435,1042 11.786,1043 4.926,1044 7.468,1045 8.919,1047 14.301,1048 7.255,1049 10.937,1050 1.381,1051 13.695,1052 4.264,1053 8.937,1054 10.764,1055 2.286,1056 17.129,1057 8.689,1058 12.438,1059 1.228,1060 15.635,1061 3.045,1062 10.007,1063 12.137,1065 19.656,1066 9.702,1067 13.961,1068 1.138,1069 17.596,1070 2.917,1071 11.334,1072 13.829,1073 2.465,1074 22.381,1075 10.988,1076 3.785,1077 0.939,1078 19.575,1079 2.822,1080 12.541,1081 15.361,1083 25.023,1084 12.139,1085 3.454,1086 15.502,1087 21.568,1088 2.394,1089 13.834,1090 17.009,1091 2.668,1092 27.73,1093 13.386,1094 3.178,1095 13.599,1096 23.573,1097 5.285,1098 15.094,1099 18.606,1101 30.416,1102 14.592,1103 2.872,1104 11.874,1105 25.587,1106 4.71,1107 16.385,1108 20.245,1109 2.888,1110 33.125,1111 15.834,1112 2.505,1113 10.548,1114 27.61,1115 3.952,1116 17.669,1117 21.871,1119 35.831,1120 17.065,1121 2.389,1122 8.784,1123 29.639,1124 3.612,1125 18.965,1126 23.512,1127 3.12,1128 38.547,1129 18.311,1130 2.236,1131 8.42,1132 31.674,1133 3.412,1134 20.262,1135 25.151,1137 41.264,1138 19.555,1139 12834,1140 19467,1141 28.668,1142 41.762,1143 67.299,1144 68.73,1145 71.374,1146 67.01,1147 67.063,1148 87.688,1149 8.536,1150 226.373,1151 64.499,1152 6.131,1153 6.031,1154 7.696,1155 5.862,1156 5.785,1157 8.285,1158 2.315,1159 24.331,1160 5.602,1161 14.98,1162 1.602,1163 1.636,1164 1.699,1165 1.595,1166 1.597,1167 2.088,1168 0.203,1169 5.39,1170 1.536,1171 4.366,1172 4.389,1173 4.351,1174 4.286,1175 7.429,1176 4.299,1177 4.019,1178 4.046,1179 3.986,1180 3.953,1181 5.093,1182 3.957,1183 3.852,1184 3.888,1185 3.781,1186 3.692,1187 4.812,1188 3.707,1189 3.726,1190 3.764,1191 3.658,1192 3.623,1193 4.7,1194 3.624,1195 3.488,1196 3.552,1197 3.401,1198 3.305,1199 4.465,1200 3.324,1201 3.397,1202 3.461,1203 3.272,1204 3.228,1205 4.409,1206 3.23,1207 3.27,1208 3.347,1209 3.134,1210 3.066,1211 4.253,1212 3.067,1213 3.221,1214 3.293,1215 3.042,1216 2.985,1217 4.076,1218 2.985,1219 0.122,1220 0.096,1221 0.191,1222 0.113,1223 0.09,1224 5.131,1225 0.126,1226 4.031,1227 0.028,1228 8.018,1229 0.369,1230 4.73,1231 0.086,1232 3.785,1233 5.285,1234 1.157,1235 15.502,1236 3.602,1237 2.036,1238 2.028,1239 2.08,1240 2.088,1241 1.366,1242 2.075,1243 1.955,1244 1.93,1245 2.053,1246 2.068,1247 1.349,1248 2.07,1249 1.889,1250 1.856,1251 1.955,1252 2.019,1253 1.166,1254 2.003,1255 1.787,1256 1.751,1257 1.944,1258 1.937,1259 1.137,1260 1.944,1261 1.39,1262 1.33,1263 1.675,1264 1.663,1265 0.845,1266 1.656,1267 1.379,1268 1.319,1269 1.604,1270 1.634,1271 0.758,1272 1.632,1273 1.293,1274 1.223,1275 1.577,1276 1.55,1277 0.67,1278 1.553,1279 1.195,1280 1.115,1281 1.54,1282 1.493,1283 0.591,1284 1.517,1285 4.443,1287 5.878,1288 3.434,1289 7.529,1290 6.009,1291 9.284,1292 8.32,1293 11.098,1295 5.922,1301 1.286,1303 6.64,1304 13.258,1306 -0.335,1308 -0.76,1312 40.025,1313 92.203,1314 227.775,1315 301.51,1316 323.51,1317 331.51,1318 339.51,1319 51.729,1320 10.59,1321 69.45,1322 69.45,1323 46,1324 13.834,1325 4.7,1326 3.807,1327 39.627,1328 112,1329 104,1330 0.19,1331 230.101,1332 383.55,1333 553.206,1334 628354,1336 23.637,1337 0.675,1338 0.568,1339 23.637,1340 19.884,1341 17.08,1342 0.407,1343 0.292,1344 12.073,1345 16.441,1346 11.765,1347 9.596,1348 17.08,1349 12.253,1350 16.322,1351 0.24,1352 0.149,1353 16.322,1354 10.137,1355 15.926,1356 0.142,1357 0.077,1358 15.926,1359 8.596,1360 15.835,1361 0.086,1362 0.04,1363 15.835,1364 7.334,1365 14.487,1366 0.051,1367 0.02,1368 14.487,1369 5.703,1370 0.273,1371 106.923,1372 0.187,1373 29.807,1374 0.616,1375 220,1376 539.163,1377 239.789,1378 517.065,1379 750.66,1380 492,1381 290,1382 592.552,1383 312.869,1384 597.473,1385 923.77,1386 568,1387 5.824} {0 CHEMBL1624529,1 1.88,2 10.033,3 2.188,4 4.787,5 101.04,6 9.253,7 0.353,8 3.98,9 4.077,10 3.703,11 3.501,12 5.283,13 3.545,14 4.501,15 4.633,16 4.124,17 3.904,18 5.894,19 3.941,20 4.792,21 4.967,22 4.239,23 4.011,24 6.182,25 4.041,26 4.823,27 5.013,28 4.263,29 3.957,30 6.431,31 4.006,32 4.733,33 4.904,34 4.215,35 3.959,36 6.242,37 4.003,38 4.699,39 4.85,40 4.225,41 3.924,42 6.21,43 3.987,44 4.741,45 4.885,46 4.23,47 3.862,48 6.607,49 3.925,50 4.664,51 4.843,52 3.925,53 3.717,54 6.209,55 3.741,56 0.299,57 0.926,58 5.585,59 3.93,60 50.392,61 3.728,62 0.61,63 1.499,64 11.458,65 6.576,66 92.777,67 6.737,68 1.032,69 1.855,70 20.197,71 8.673,72 148.239,73 9.486,74 1.439,75 1.899,76 24.466,77 8.386,78 225.799,79 9.101,80 1.174,81 1.802,82 20.404,83 8.416,84 179.069,85 8.614,86 0.948,87 1.753,88 17.336,89 8.048,90 133.384,91 7.824,92 1.559,93 1.715,94 19.426,95 8.258,96 268.165,97 7.74,98 1.315,99 1.626,100 21.116,101 8.267,102 223.581,103 7.866,104 51,105 53,106 0.321,107 0.715,108 0.828,109 0.877,110 0.877,111 0.877,112 3.442,113 0.813,114 -4.44,115 -4.37,116 -4.12,119 44.4,122 2,125 2,127 1,136 1,137 1,142 4,143 1,144 4,147 2,157 1,158 1,163 1,164 1,165 1,167 1,170 1,172 3,173 1,174 2,175 9,178 1,180 3,183 2,185 2,188 6,189 2,196 2,197 1,199 5,200 6,202 1,203 3,205 1,208 2,209 1,213 3,214 1,218 1,221 7,222 1,224 2,225 6,227 1,228 2,230 1,233 4,234 2,239 6,240 1,244 3,249 1,252 1,253 2,255 1,256 2,258 1,261 4,263 1,274 4,275 2,278 1442,279 19.74,280 19.74,281 19.74,282 19.74,283 19.74,284 17.803,285 29.209,286 10.888,287 20.127,288 16.718,289 16.718,290 16.718,291 16.718,292 16.718,293 13.626,294 44.125,295 5.146,296 17.455,297 3.612,298 1.306,299 0.639,300 0.356,301 0.356,302 0.356,303 4.136,307 1,308 1,309 665,310 3.162,311 45.121,313 68.052,314 313.577,318 124.173,321 1.307,322 70.648,325 1,326 1,327 1,328 0.6,329 0.5,330 1,331 1,332 0.87,333 69.5,334 301,335 4.648,336 3.797,337 7.027,338 4.37,339 3.395,340 4.272,341 1.437,342 11.988,343 3.32,344 4.397,345 3.512,346 6.957,347 4.283,348 3.308,349 3.898,350 0.8,351 11.759,352 3.234,353 4.25,354 3.419,355 6.434,356 3.863,357 2.909,358 3.66,359 0.8,360 9.862,361 2.778,362 4.155,363 3.299,364 6.402,365 3.806,366 2.841,367 3.346,369 9.672,370 2.7,371 3.767,372 3.158,373 5.946,374 3.413,375 2.453,376 3.076,378 8.117,379 2.345,380 3.578,381 2.885,382 5.422,383 3.205,384 2.253,385 2.872,387 6.737,388 2.123,389 3.245,390 2.582,391 5.016,392 2.829,393 1.915,394 2.462,396 5.589,397 1.733,398 3.064,399 2.445,400 4.919,401 2.759,402 1.808,403 2.118,405 5.322,406 1.698,407 2.914,408 2.028,409 4.442,410 2.436,411 1.479,412 2.009,414 3.973,415 1.393,416 2.729,417 1.602,418 4.247,419 2.236,420 1.254,421 1.73,423 3.292,424 1.218,425 2.452,426 1.416,427 4.166,428 2.03,429 1.08,430 1.397,432 3.144,433 1.018,434 2,435 1.159,436 3.959,437 1.984,438 1,439 1,441 3.02,442 0.983,443 1.92,444 1.077,445 3.676,446 1.452,447 0.51,448 0.53,450 1.366,451 0.478,452 1.565,453 0.757,454 3.219,455 1.338,456 0.329,457 0.478,459 0.83,460 0.323,461 1.27,462 0.532,463 3.086,464 0.911,465 0.01,466 0.012,468 0.026,469 0.009,470 13.457,471 0.449,472 1.087,473 0.036,474 38.25,475 1.275,476 17.5,477 0.583,478 20.75,479 0.692,480 25.468,481 0.849,482 32.743,483 0.728,484 34.03,485 1.134,486 7.569,487 0.252,488 6.688,489 0.223,490 0.168,492 0.542,495 3,497 0.657,498 0.981,499 0.599,500 0.941,501 0.6,502 0.801,503 0.617,504 0.993,505 0.68,506 1.013,507 0.513,508 0.918,509 0.827,510 1.048,511 0.88,512 1.118,513 0.796,514 1.057,515 0.828,516 0.827,517 0.829,518 0.738,519 0.814,520 0.751,521 0.971,522 0.986,523 0.881,524 0.928,525 0.971,526 0.872,527 1.001,528 1.14,529 0.857,530 1.088,531 0.961,532 0.958,533 0.995,534 1.082,535 1.015,536 1.133,537 0.987,538 1.106,539 1.256,540 1.052,541 1.241,542 1.086,543 1.346,544 1.148,545 7,546 0.189,547 5.5,548 2.597,549 2.686,550 1.879,551 1.354,552 0.756,553 0.522,554 0.338,555 10746,556 38791,557 2.084,558 33.3,560 9,561 1,563 3,566 2,568 1.737,569 1.875,570 3.256,571 0.966,572 1,573 1,578 84.582,579 1.88,580 4.186,581 4.853,582 5.136,583 5.136,584 5.136,585 2.681,586 4.348,587 4.875,588 3.392,589 1475.55,590 8.557,591 19389.5,593 1,595 1,596 247.133,597 1.498,598 4.803,599 0.206,600 0.011,601 0.11,602 0.049,603 0.051,604 0.036,605 0.026,606 0.016,607 0.015,608 0.013,609 0.532,610 0.33,611 0.88,612 0.817,613 149.877,614 -0.089,615 -0.067,616 -0.004,617 0.046,618 -0.055,619 0.066,620 0.009,621 -0.089,622 0.029,623 -0.05,624 0.079,625 -0.014,626 -0.029,627 -0.108,628 0.01,629 -0.154,630 -0.024,631 -0.089,632 0.083,633 0.072,634 0.151,635 0.184,636 0.076,637 0.205,638 -0.022,639 0.065,640 0.044,641 0.066,642 -0.05,643 0.089,644 -0.091,645 -0.157,646 0.015,647 -0.118,648 -0.07,649 -0.034,650 0.171,651 0.025,652 -0.063,653 -0.142,654 0.206,655 -0.201,656 -0.122,657 -0.037,658 -0.192,659 -0.083,660 -0.162,661 -0.153,662 3.226,663 6.835,664 0.733,665 26.596,666 1.047,667 1.145,668 3.213,669 10.325,670 0.678,671 3.555,672 3.989,673 4.317,674 4.625,675 4.934,676 5.142,677 5.328,678 5.489,679 5.69,680 5.784,681 5.881,682 0.69,683 416.39,684 3.555,685 5.165,686 6.075,687 7.013,688 7.943,689 8.885,690 9.822,691 10.767,692 11.708,693 12.654,694 8.9,695 1,700 1,702 1,704 1,709 4,710 1,714 7,716 12,721 1,730 2,734 3,735 45,737 15,738 1,739 34,741 49,742 20,743 11,744 3,745 3,746 4,748 5,749 7,757 1,758 2,760 1,762 15,763 5,764 2,767 3,772 2,774 1,776 3,780 1,781 3,783 15,784 10,785 3,786 10,792 4,796 0.6,797 3,808 1,811 1,812 1,814 1,815 4,819 1,830 1,834 1,835 1,840 1,842 3,848 3,850 30,851 1,855 1,856 2,861 3,862 2,871 3,872 6.7,874 1,875 2,879 16,880 8.062,881 6.25,882 2.604,884 2.605,885 1.319,886 1.006,887 4.177,888 10.777,889 3.784,890 4.419,891 4.994,892 5.54,893 6.118,894 6.514,895 6.948,896 7.351,897 7.77,898 8.018,899 0.857,900 53,901 11.398,903 5.559,904 8.456,905 20.229,907 17.947,909 2.956,910 88.667,914 141.253,915 98.354,916 55.931,918 92.973,919 44.88,921 98.354,922 234.226,923 100.812,925 46.156,926 37.905,927 115.802,928 42.74,929 61.307,930 129.482,932 141.253,933 154.285,934 137.854,937 162.591,938 116.515,941 40.233,942 97.267,943 16.786,945 186.134,946 148.905,947 98.354,950 141.253,951 51.402,952 53.201,954 187.536,955 141.253,956 193.785,957 98.354,959 0.613,960 0.364,961 0.192,962 0.108,963 30,964 15,965 0.061,966 3,967 2,968 1.182,969 3.941,970 298.425,971 0.182,972 22,973 143.207,979 19.103,980 6.56,981 3.008,983 193.785,984 3.616,985 4.258,989 -3.3,991 75.581,992 433.392,993 43,998 24.114,1000 0.912,1002 -3.189,1005 47.112,1006 51.547,1007 0.342,1008 0.762,1009 0.884,1010 0.935,1011 0.935,1012 0.935,1013 5.106,1014 1.808,1015 6.125,1016 5.589,1017 4.673,1018 5.106,1019 1.953,1020 7.05,1021 4.59,1022 6.357,1023 1.479,1024 7.765,1025 5.322,1026 4.575,1027 5.121,1028 0.57,1029 8.238,1030 4.452,1031 7.713,1032 1.254,1033 9.504,1034 3.973,1035 6.428,1036 7.3,1037 2.346,1038 11.341,1039 6.284,1040 9.098,1041 1.08,1042 11.297,1043 3.292,1044 7.091,1045 8.049,1046 0.479,1047 13.298,1048 6.921,1049 10.51,1050 1,1051 13.126,1052 3.144,1053 8.495,1054 9.779,1055 2.951,1056 15.963,1057 8.302,1058 11.94,1059 0.51,1060 14.978,1061 3.02,1062 9.467,1063 10.853,1064 0.346,1065 18.218,1066 9.254,1067 13.385,1068 0.329,1069 16.846,1070 1.366,1071 10.723,1072 12.41,1073 3.628,1074 20.743,1075 10.489,1076 3.395,1077 0.01,1078 18.727,1079 0.83,1080 11.823,1081 13.646,1082 0.237,1083 23.118,1084 11.57,1085 3.308,1086 11.988,1087 20.618,1088 0.026,1089 13.033,1090 15.128,1091 4.332,1092 25.599,1093 12.759,1094 2.909,1095 11.759,1096 22.516,1097 4.272,1098 14.187,1099 16.45,1100 0.158,1101 28.025,1102 13.895,1103 2.841,1104 9.862,1105 24.42,1106 3.898,1107 15.384,1108 17.899,1109 5.048,1110 30.493,1111 15.073,1112 2.453,1113 9.672,1114 26.329,1115 3.66,1116 16.564,1117 19.268,1118 0.104,1119 32.943,1120 16.233,1121 2.253,1122 8.117,1123 28.242,1124 3.346,1125 17.76,1126 20.705,1127 5.769,1128 35.409,1129 17.41,1130 1.915,1131 6.737,1132 30.159,1133 3.076,1134 18.952,1135 22.102,1136 0.068,1137 37.87,1138 18.582,1139 10109,1140 19356,1141 22.024,1142 30.529,1143 53.965,1144 56.022,1145 56.369,1146 53.328,1147 53.089,1148 65.721,1149 6.073,1150 169.395,1151 50.704,1152 5.648,1153 5.797,1154 6.311,1155 5.446,1156 5.395,1157 7.272,1158 2.873,1159 19.693,1160 5.32,1161 18.633,1162 1.587,1163 1.648,1164 1.658,1165 1.568,1166 1.561,1167 1.933,1168 0.179,1169 4.982,1170 1.491,1171 4.098,1172 4.14,1173 4.058,1174 3.973,1175 8.212,1176 3.986,1177 3.983,1178 4.017,1179 3.922,1180 3.875,1181 8.201,1182 3.883,1183 3.839,1184 3.862,1185 3.808,1186 3.745,1187 8.191,1188 3.756,1189 3.585,1190 3.598,1191 3.563,1192 3.425,1193 7.48,1194 3.453,1195 3.186,1196 3.249,1197 3.136,1198 2.917,1199 7.422,1200 2.955,1201 3.095,1202 3.141,1203 3.049,1204 2.854,1205 6.351,1206 2.895,1207 2.968,1208 2.985,1209 2.883,1210 2.733,1211 5.032,1212 2.734,1213 2.898,1214 2.956,1215 2.822,1216 2.645,1217 4.787,1218 2.695,1219 0.137,1220 0.112,1221 0.207,1222 0.129,1223 0.1,1224 4.648,1225 0.126,1226 3.797,1227 0.042,1228 7.027,1229 0.353,1230 4.37,1231 0.098,1232 3.395,1233 4.272,1234 1.437,1235 11.988,1236 3.32,1237 1.956,1238 1.933,1239 2.003,1240 2.093,1241 1.149,1242 2.065,1243 1.809,1244 1.788,1245 1.883,1246 1.931,1247 1.069,1248 1.916,1249 1.573,1250 1.537,1251 1.732,1252 1.778,1253 1.02,1254 1.762,1255 1.398,1256 1.353,1257 1.591,1258 1.611,1259 0.94,1260 1.585,1261 1.326,1262 1.265,1263 1.529,1264 1.486,1265 0.612,1266 1.526,1267 1.045,1268 0.962,1269 1.345,1270 1.398,1271 0.439,1272 1.387,1273 0.951,1274 0.915,1275 1.121,1276 1.255,1277 0.162,1278 1.191,1279 0.859,1280 0.804,1281 1.036,1282 1.113,1283 0.06,1284 1.079,1285 4.234,1286 1.946,1287 5.638,1288 4.263,1289 7.245,1290 6.33,1291 8.952,1292 8.304,1293 10.713,1297 42.668,1299 5.92,1300 9.364,1301 1.007,1306 0.565,1307 2.731,1312 31.068,1313 84.582,1314 188.362,1315 218.379,1316 231.133,1317 231.133,1318 231.133,1319 91.248,1320 8.172,1321 101.45,1322 101.45,1323 26,1324 13.146,1325 4,1326 3.322,1327 41.214,1328 103,1329 126,1330 0.195,1331 182.064,1332 335.78,1333 435.997,1334 37368,1335 6.7,1336 21.317,1337 0.711,1338 0.512,1339 18.706,1340 15.35,1341 14.257,1342 0.419,1343 0.271,1344 9.014,1345 13.444,1346 8.944,1347 7.236,1348 13.042,1349 9.211,1350 14.084,1351 0.266,1352 0.144,1353 12.384,1354 7.618,1355 12.141,1356 0.164,1357 0.077,1358 10.936,1359 5.68,1360 10.264,1361 0.102,1362 0.039,1363 9.169,1364 3.973,1365 8.393,1366 0.061,1367 0.02,1368 7.624,1369 2.749,1370 0.294,1371 91.681,1372 0.213,1373 27.505,1374 0.575,1375 174,1376 726.202,1377 200.378,1378 616.316,1379 805.18,1380 568,1381 217,1382 572.444,1383 243.657,1384 556.712,1385 832.62,1386 524,1387 5.9} {0 CHEMBL1682341,1 1.449,2 9.381,3 3.215,4 10.334,5 83.612,6 8.098,7 0.875,8 3.669,9 3.796,10 3.333,11 3.262,12 4.836,13 3.253,14 4.131,15 4.282,16 3.657,17 3.641,18 5.22,19 3.615,20 4.307,21 4.51,22 3.541,23 3.671,24 5.303,25 3.596,26 4.331,27 4.582,28 3.419,29 3.546,30 5.283,31 3.462,32 4.119,33 4.364,34 3.323,35 3.356,36 5.114,37 3.294,38 3.959,39 4.187,40 3.235,41 3.224,42 5.027,43 3.184,44 3.842,45 4.085,46 3.016,47 3.108,48 4.833,49 3.039,50 3.615,51 3.82,52 2.778,53 3.045,54 4.531,55 2.938,56 0.087,57 0.566,58 5.823,59 2.68,60 7.634,61 3.374,62 0.061,63 0.87,64 9.983,65 4.328,66 8.126,67 5.558,68 0.098,69 0.972,70 13.838,71 5.466,72 15.789,73 7.285,74 0.158,75 0.964,76 16.321,77 5.537,78 20.901,79 7.685,80 0.162,81 0.799,82 13.014,83 4.401,84 17.354,85 6.115,86 0.16,87 0.706,88 10.47,89 3.32,90 17.007,91 4.467,92 0.162,93 0.605,94 9.738,95 3.2,96 14.667,97 4.358,98 0.044,99 0.455,100 7.02,101 3.121,102 7.175,103 4.214,105 33,106 0.26,107 0.601,108 0.74,109 0.846,110 0.861,111 0.861,112 3.103,113 0.846,114 -3.9,115 -3.85,116 -3.66,119 47.1,121 1,142 8,143 2,144 1,145 1,146 1,151 1,152 1,166 2,168 1,172 9,174 1,175 4,180 2,183 10,188 9,193 2,196 7,200 9,208 1,212 1,213 8,216 1,221 2,224 1,225 5,228 1,233 4,238 1,239 2,242 1,247 6,253 1,258 1,261 8,266 1,271 1,274 6,278 537,279 14.74,280 14.74,281 14.74,282 14.74,283 14.74,284 12.321,285 13.601,286 8.859,287 14.909,288 11.909,289 11.909,290 11.909,291 11.909,292 11.909,293 8.36,294 17.212,295 4.271,296 12.184,297 3.639,298 1.742,299 0.963,300 0.375,301 0.294,302 0.294,303 3.808,306 1,307 1,308 1,309 446,310 2,313 99.611,314 118.01,317 81.465,321 1.601,322 8.472,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 44.5,334 197,335 4.47,336 3.134,337 6.306,338 3.998,339 3.027,340 4.392,341 0.68,342 9.639,343 2.942,344 4.197,345 2.933,346 6.033,347 3.756,348 2.784,349 3.856,351 8.731,352 2.706,353 3.906,354 2.697,355 5.542,356 3.518,357 2.533,358 3.446,360 7.53,361 2.489,362 3.551,363 2.245,364 5.048,365 3.108,366 2.134,367 2.97,369 6.089,370 2.076,371 3.034,372 1.572,373 4.407,374 2.518,375 1.534,376 2.301,378 4.277,379 1.508,380 2.936,381 1.534,382 4.194,383 2.488,384 1.495,385 2.118,387 3.745,388 1.484,389 2.751,390 1.348,391 3.578,392 2.269,393 1.291,394 1.863,396 2.979,397 1.261,398 2.512,399 1.044,400 3.432,401 2,402 1.025,403 1.518,405 2.359,406 1,407 2.5,408 1,409 3.274,410 1.998,411 1,412 1.5,414 2.136,415 0.996,416 2.186,417 0.714,418 3.247,419 1.665,420 0.698,421 1.034,423 1.691,424 0.674,425 1.889,426 0.404,427 3.031,428 1.362,429 0.394,430 0.588,432 0.981,433 0.381,434 1.18,435 0.131,436 2.761,437 0.884,438 -0.109,439 -0.136,441 -0.288,442 -0.108,443 0.79,444 -0.555,445 2.466,446 0.328,447 -0.651,448 -0.897,450 -1.743,451 -0.635,452 0.578,453 -0.762,454 2.112,455 0.09,456 -0.897,457 -1.241,459 -2.251,460 -0.883,461 0.5,462 -0.911,463 1.611,464 0.041,465 -0.946,466 -1.368,468 -2.347,469 -0.935,470 10,471 0.476,472 0.376,473 0.018,474 31.25,475 1.488,476 18,477 0.857,478 13.25,479 0.631,480 12,481 0.571,482 20.6,483 0.606,484 19.175,485 0.913,486 6.383,487 0.304,488 3.999,489 0.19,492 0.29,497 0.561,498 0.887,499 0.682,500 0.857,501 0.633,502 0.801,503 0.885,504 1.22,505 0.857,506 1.067,507 0.845,508 0.979,509 1.047,510 1.163,511 1.111,512 1.169,513 1.023,514 1.153,515 1.208,516 1.061,517 1.037,518 0.982,519 1.108,520 0.984,521 1.045,522 0.99,523 0.903,524 0.898,525 1.063,526 0.883,527 1.362,528 1.019,529 1.037,530 0.893,531 1.187,532 0.914,533 1.226,534 0.74,535 1.063,536 0.799,537 1.15,538 0.887,539 0.652,540 0.865,541 1.069,542 1.115,543 0.875,544 1.145,545 3.5,546 0.04,547 1.778,548 0.917,549 0.769,550 0.348,551 0.321,552 0.122,553 0.056,554 0.078,555 5126,556 12956,557 2.246,558 38.2,560 8,561 1,562 1,563 1,564 2,568 1.626,569 2.211,570 3.236,571 -0.291,573 1,575 1,578 49.258,579 1.449,580 3.346,581 4.124,582 4.712,583 4.793,584 4.793,585 2.701,586 4.107,587 4.365,588 3.374,589 708.442,590 7.449,591 7553.57,592 1,593 1,594 1,595 1,596 172.974,597 0.863,598 4.366,599 0.146,600 0.004,601 0.054,602 0.033,603 0.032,604 0.016,605 0.016,606 0.008,607 0.004,608 0.006,609 0.319,610 0.83,611 1,613 95.579,614 0.353,615 0.213,616 0.078,617 0.047,618 0.142,619 0.028,620 -0.001,621 -0.173,622 -0.046,623 -0.142,624 -0.055,625 -0.108,626 -0.157,627 -0.187,628 -0.195,629 -0.206,630 -0.152,631 -0.206,632 -0.145,633 -0.109,634 -0.004,635 -0.01,636 -0.054,637 0.008,638 0.086,639 -0.012,640 0.125,641 0.058,642 0.065,643 0.089,644 -0.055,645 0.032,646 -0.048,647 0.004,648 0.021,649 -0.016,650 -0.042,651 0.268,652 -0.05,653 0.141,654 -0.022,655 0.064,656 -0.071,657 0.035,658 -0.156,659 -0.074,660 -0.146,661 -0.117,662 0.714,663 1.245,664 0.952,665 16.653,666 1.001,667 1.122,668 2.667,669 7.112,670 0.708,671 3.219,672 3.526,673 3.807,674 4.078,675 4.22,676 4.29,677 4.443,678 4.564,679 4.564,680 4.625,681 5.633,682 0.683,683 275.34,684 3.219,685 4.745,686 5.595,687 6.463,688 7.326,689 8.199,690 9.067,691 9.943,692 10.815,693 11.692,694 14.7,702 2,704 3,708 2,709 10,710 3,711 1,714 3,715 1,716 21,735 34,737 21,738 2,739 24,741 37,742 16,743 15,744 4,745 8,748 4,749 5,760 1,762 15,763 1,779 1,780 1,783 13,784 3,785 1,786 5,792 5,796 0.75,806 1,814 2,815 2,818 1,842 3,850 21,856 1,869 1,879 9.5,880 6.133,881 4.556,882 1.961,884 3.946,885 1.554,886 1.061,887 2.928,888 11.065,889 3.57,890 4.22,891 4.856,892 5.483,893 5.935,894 6.278,895 6.767,896 7.231,897 7.47,898 7.832,899 1,900 28,901 7.682,903 3.262,904 7.563,905 14.832,907 12.247,909 2.063,910 43.333,911 0.001,914 141.253,915 109.856,916 68.306,921 109.856,922 141.253,923 68.306,925 2.535,926 84.857,927 61.638,928 38.759,929 13.915,930 117.711,932 141.253,933 178.162,937 141.253,941 32.778,942 95.517,943 49.867,945 141.253,946 68.306,947 109.856,950 141.253,951 15.951,952 95.681,953 16.663,954 49.867,955 141.253,956 68.306,957 109.856,959 0.576,960 0.334,961 0.185,962 0.092,963 18,964 6,965 0.081,966 3,967 1,968 1.1,969 3.562,970 163.624,971 0.1,972 20,973 88.239,979 12.155,980 5.058,981 2.404,982 2.08,983 49.867,984 20.083,985 12.482,986 2.941,989 3.166,990 1.796,991 16.663,992 319.415,993 34.5,1005 34.043,1006 38.152,1007 0.285,1008 0.658,1009 0.811,1010 0.926,1011 0.942,1012 0.942,1013 4.764,1014 1.025,1015 5.549,1016 2.979,1017 4.205,1018 4.905,1019 0.655,1020 6.319,1021 4.159,1022 5.973,1023 1,1024 7.071,1025 2.359,1026 3.611,1027 4.559,1029 7.081,1030 3.528,1031 7.27,1032 0.698,1033 8.69,1034 2.136,1035 5.753,1036 7.157,1037 0.356,1038 10.176,1039 5.656,1040 8.607,1041 0.394,1042 10.368,1043 1.691,1044 6.043,1045 7.729,1047 11.794,1048 5.902,1049 9.976,1050 -0.109,1051 12.084,1052 0.981,1053 7.576,1054 9.687,1055 0.18,1056 14.345,1057 7.425,1058 11.369,1059 -0.651,1060 13.827,1061 -0.288,1062 8.274,1063 10.699,1065 16.308,1066 8.078,1067 12.78,1068 -0.897,1069 15.588,1070 -1.743,1071 9.55,1072 12.381,1073 0.087,1074 18.667,1075 9.342,1076 3.027,1077 -0.946,1078 17.363,1079 -2.251,1080 10.445,1081 13.615,1083 20.781,1084 10.195,1085 2.784,1086 9.639,1087 19.147,1088 -2.347,1089 11.609,1090 15.173,1091 0.041,1092 23.067,1093 11.341,1094 2.533,1095 8.731,1096 20.939,1097 4.392,1098 12.6,1099 16.521,1101 25.25,1102 12.294,1103 2.134,1104 7.53,1105 22.736,1106 3.856,1107 13.716,1108 18.023,1109 0.019,1110 27.509,1111 13.388,1112 1.534,1113 6.089,1114 24.538,1115 3.446,1116 14.755,1117 19.429,1119 29.725,1120 14.392,1121 1.495,1122 4.277,1123 26.344,1124 2.97,1125 15.852,1126 20.91,1127 0.009,1128 31.976,1129 15.464,1130 1.291,1131 3.745,1132 28.154,1133 2.301,1134 16.915,1135 22.346,1137 34.209,1138 16.495,1139 4697,1140 7597,1141 16.989,1142 24.074,1143 36.24,1144 35.752,1145 35.705,1146 35.822,1147 35.832,1148 51.174,1149 1.36,1150 100.312,1151 35.031,1152 5.231,1153 5.134,1154 6.108,1155 5.045,1156 5.027,1157 7.392,1158 1.36,1159 16.128,1160 4.942,1162 1.51,1163 1.49,1164 1.488,1165 1.493,1166 1.493,1167 2.132,1168 0.057,1169 4.18,1170 1.46,1171 4.124,1172 4.17,1173 4.088,1174 4.004,1175 5.15,1176 4.018,1177 3.94,1178 3.983,1179 3.881,1180 3.865,1181 5.029,1182 3.86,1183 3.774,1184 3.837,1185 3.728,1186 3.564,1187 4.738,1188 3.599,1189 3.307,1190 3.373,1191 3.226,1192 3.143,1193 4.329,1194 3.155,1195 3.046,1196 3.119,1197 2.914,1198 2.898,1199 3.8,1200 2.894,1201 2.909,1202 2.979,1203 2.788,1204 2.755,1205 3.754,1206 2.756,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.486,1214 2.583,1215 2.332,1216 2.259,1217 3.449,1218 2.259,1219 0.186,1220 0.131,1221 0.263,1222 0.167,1223 0.126,1224 4.47,1225 0.183,1226 3.134,1227 0.028,1228 6.306,1229 0.402,1230 3.998,1231 0.123,1232 3.027,1233 4.392,1234 0.68,1235 9.639,1236 2.942,1237 1.947,1238 1.921,1239 2.049,1240 2.045,1241 1.19,1242 2.041,1243 1.914,1244 1.886,1245 2.017,1246 1.995,1247 1.152,1248 2.01,1249 1.48,1250 1.434,1251 1.64,1252 1.675,1253 0.791,1254 1.646,1255 1.312,1256 1.23,1257 1.465,1258 1.606,1259 0.438,1260 1.587,1261 1.199,1262 1.13,1263 1.326,1264 1.498,1265 0.404,1266 1.441,1267 0.886,1268 0.821,1269 1.181,1270 1.075,1271 0.218,1272 1.107,1273 0.86,1274 0.798,1275 1.104,1276 1.062,1277 0.154,1278 1.092,1279 0.787,1280 0.696,1281 1.001,1282 1.05,1284 1.05,1285 3.892,1287 5.198,1288 3.045,1289 6.691,1290 5.283,1291 8.265,1292 7.273,1293 9.882,1301 0.787,1312 23.214,1313 49.258,1314 113.754,1315 140.219,1316 160.219,1317 162.974,1318 162.974,1319 19.931,1320 7.119,1321 59.39,1322 59.39,1323 22,1324 12.231,1325 4.459,1326 3.524,1327 28.192,1328 71,1329 65,1330 0.195,1331 142.299,1332 223.56,1333 338.97,1334 11728,1336 14.071,1337 0.67,1338 0.537,1339 14.071,1340 11.269,1341 10.382,1342 0.433,1343 0.282,1344 6.689,1345 10.018,1346 6.56,1347 5.455,1348 10.382,1349 6.77,1350 9.203,1351 0.279,1352 0.15,1353 9.203,1354 4.958,1355 7.97,1356 0.181,1357 0.079,1358 7.97,1359 3.457,1360 6.817,1361 0.118,1362 0.041,1363 6.817,1364 2.383,1365 5.099,1366 0.076,1367 0.022,1368 5.099,1369 1.502,1370 0.307,1371 64.73,1372 0.243,1373 21.045,1374 0.53,1375 114,1376 306.913,1377 123.02,1378 308.196,1379 437.15,1380 290,1381 134,1382 345.263,1383 144.63,1384 349.874,1385 502.88,1386 329,1387 6.4} {0 CHEMBL1682345,1 1.449,2 9.381,3 3.187,4 10.155,5 83.897,6 8.098,7 0.875,8 3.669,9 3.796,10 3.333,11 3.262,12 4.835,13 3.253,14 4.133,15 4.287,16 3.654,17 3.643,18 5.219,19 3.618,20 4.303,21 4.502,22 3.54,23 3.679,24 5.3,25 3.6,26 4.331,27 4.582,28 3.424,29 3.539,30 5.286,31 3.456,32 4.123,33 4.372,34 3.317,35 3.344,36 5.113,37 3.292,38 3.956,39 4.182,40 3.234,41 3.23,42 5.024,43 3.186,44 3.843,45 4.087,46 3.026,47 3.111,48 4.84,49 3.036,50 3.615,51 3.82,52 2.778,53 3.045,54 4.531,55 2.938,56 0.087,57 0.566,58 5.823,59 2.68,60 7.683,61 3.374,62 0.08,63 0.872,64 10.126,65 4.253,66 8.339,67 5.432,68 0.079,69 0.964,70 13.642,71 5.603,72 15.413,73 7.488,74 0.149,75 0.966,76 16.277,77 5.544,78 21.018,79 7.71,80 0.141,81 0.801,82 13.199,83 4.169,84 17.285,85 5.77,86 0.15,87 0.702,88 10.372,89 3.389,90 16.677,91 4.568,92 0.202,93 0.611,94 9.75,95 3.295,96 15.062,97 4.499,98 0.044,99 0.455,100 7.02,101 3.121,102 7.175,103 4.214,105 33,106 0.26,107 0.601,108 0.74,109 0.846,110 0.861,111 0.861,112 3.103,113 0.845,114 -3.9,115 -3.85,116 -3.66,119 47.1,125 1,142 8,143 3,145 1,146 1,151 1,152 1,166 2,168 1,172 10,174 1,175 3,180 2,183 10,188 9,193 2,196 5,200 13,205 1,213 9,221 1,224 1,225 3,228 1,233 4,238 2,239 1,242 2,247 8,261 9,266 1,271 1,274 6,278 537,279 14.74,280 14.74,281 14.74,282 14.74,283 14.74,284 12.321,285 8.381,286 8.859,287 14.899,288 11.909,289 11.909,290 11.909,291 11.909,292 11.909,293 8.36,294 13.558,295 4.271,296 12.168,297 3.639,298 1.742,299 0.963,300 0.375,301 0.294,302 0.294,303 3.808,306 1,307 1,308 1,309 446,310 2,313 99.611,314 118.01,317 81.465,321 1.601,322 8.518,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 44.5,334 197,335 4.47,336 3.053,337 6.306,338 4.009,339 3.027,340 4.392,341 0.522,342 9.639,343 2.974,344 4.197,345 2.897,346 6.033,347 3.753,348 2.784,349 3.856,351 8.731,352 2.695,353 3.906,354 2.642,355 5.542,356 3.522,357 2.533,358 3.446,360 7.53,361 2.505,362 3.551,363 2.184,364 5.048,365 3.108,366 2.134,367 2.97,369 6.089,370 2.074,371 3.034,372 1.565,373 4.407,374 2.518,375 1.534,376 2.301,378 4.277,379 1.508,380 2.936,381 1.534,382 4.194,383 2.482,384 1.495,385 2.118,387 3.745,388 1.476,389 2.751,390 1.327,391 3.578,392 2.262,393 1.291,394 1.863,396 2.979,397 1.251,398 2.512,399 1.035,400 3.432,401 2,402 1.025,403 1.518,405 2.359,406 1,407 2.5,408 1,409 3.274,410 1.99,411 1,412 1.5,414 2.136,415 0.986,416 2.186,417 0.703,418 3.247,419 1.678,420 0.698,421 1.034,423 1.691,424 0.683,425 1.889,426 0.397,427 3.031,428 1.366,429 0.394,430 0.588,432 0.981,433 0.382,434 1.18,435 0.104,436 2.761,437 0.863,438 -0.109,439 -0.136,441 -0.288,442 -0.105,443 0.79,444 -0.63,445 2.466,446 0.343,447 -0.651,448 -0.897,450 -1.743,451 -0.647,452 0.578,453 -0.821,454 2.112,455 0.081,456 -0.897,457 -1.241,459 -2.251,460 -0.876,461 0.5,462 -0.923,463 1.611,464 0.026,465 -0.946,466 -1.368,468 -2.347,469 -0.918,470 10,471 0.476,472 0.376,473 0.018,474 31.25,475 1.488,476 18,477 0.857,478 13.25,479 0.631,480 11.838,481 0.564,482 20.6,483 0.606,484 19.336,485 0.921,486 6.401,487 0.305,488 3.981,489 0.19,492 0.29,497 0.561,498 0.887,499 0.682,500 0.857,501 0.637,502 0.801,503 0.986,504 1.129,505 0.88,506 0.989,507 0.875,508 0.933,509 0.931,510 1.198,511 1.091,512 1.222,513 0.998,514 1.187,515 1.185,516 1.117,517 1.028,518 1.018,519 1.09,520 1.004,521 1.38,522 1.074,523 0.943,524 0.843,525 1.126,526 0.833,527 1.277,528 1.044,529 1.023,530 0.932,531 1.178,532 0.939,533 0.968,534 0.573,535 1.043,536 0.787,537 1.103,538 0.898,539 0.652,540 0.865,541 1.069,542 1.115,543 0.875,544 1.145,545 3.5,546 0.04,547 1.778,548 0.917,549 0.769,550 0.348,551 0.321,552 0.122,553 0.056,554 0.078,555 5126,556 12980,557 2.246,558 38.2,560 10,561 1,562 1,563 1,568 1.626,569 2.211,570 3.236,571 -0.291,573 1,575 1,578 49.258,579 1.449,580 3.346,581 4.124,582 4.712,583 4.793,584 4.793,585 2.701,586 4.107,587 4.365,588 3.374,589 708.442,590 7.449,591 7553.57,592 1,593 1,594 1,595 1,596 172.974,597 0.863,598 4.366,599 0.146,600 0.004,601 0.054,602 0.033,603 0.032,604 0.016,605 0.016,606 0.008,607 0.004,608 0.006,609 0.319,610 0.83,611 1,613 95.579,614 0.353,615 0.213,616 0.078,617 0.047,618 0.138,619 0.028,620 -0.064,621 -0.072,622 -0.065,623 -0.07,624 -0.084,625 -0.068,626 -0.105,627 -0.235,628 -0.183,629 -0.247,630 -0.131,631 -0.23,632 -0.12,633 -0.166,634 0.005,635 -0.048,636 -0.035,637 -0.012,638 -0.176,639 -0.082,640 0.094,641 0.098,642 0.005,643 0.127,644 -0.018,645 -0.003,646 -0.039,647 -0.026,648 0.027,649 -0.034,650 0.224,651 0.441,652 -0.029,653 0.154,654 0.026,655 0.052,656 -0.071,657 0.035,658 -0.156,659 -0.074,660 -0.146,661 -0.117,662 0.797,663 1.256,664 0.952,665 16.653,666 1.001,667 1.122,668 2.667,669 7.112,670 0.708,671 3.219,672 3.526,673 3.807,674 4.078,675 4.22,676 4.29,677 4.443,678 4.564,679 4.564,680 4.625,681 5.633,682 0.683,683 275.34,684 3.219,685 4.745,686 5.595,687 6.463,688 7.326,689 8.199,690 9.067,691 9.943,692 10.815,693 11.692,694 14.7,702 2,704 3,708 2,709 10,710 3,711 1,714 3,715 1,716 21,735 34,737 21,738 2,739 24,741 37,742 16,743 15,744 4,745 8,748 4,749 5,762 15,763 1,779 1,780 1,783 13,784 3,785 1,786 5,792 5,796 0.75,806 1,814 2,815 2,818 1,842 3,850 21,856 1,869 1,879 9.5,880 6.133,881 4.556,882 1.948,884 3.946,885 1.554,886 1.061,887 2.928,888 11.065,889 3.57,890 4.22,891 4.856,892 5.483,893 5.935,894 6.278,895 6.767,896 7.231,897 7.47,898 7.832,899 1,900 28,901 7.683,903 3.262,904 7.563,905 14.832,907 12.244,909 2.063,910 43.333,911 0.001,914 141.253,915 109.856,916 68.306,921 109.856,922 141.253,923 68.306,925 2.106,926 84.857,927 61.638,928 39.188,929 13.915,930 117.711,932 141.253,933 178.162,937 141.253,941 32.349,942 95.946,943 49.867,945 141.253,946 68.306,947 109.856,950 141.253,951 15.951,952 95.681,953 16.663,954 49.867,955 141.253,956 68.306,957 109.856,959 0.576,960 0.334,961 0.185,962 0.092,963 18,964 6,965 0.081,966 3,967 1,968 1.1,969 3.562,970 163.624,971 0.1,972 20,973 88.239,979 12.155,980 5.058,981 2.404,982 2.098,983 49.867,984 20.108,985 12.486,986 2.945,989 3.122,990 1.851,991 16.663,992 319.415,993 34.5,1005 34.043,1006 38.152,1007 0.285,1008 0.658,1009 0.811,1010 0.926,1011 0.942,1012 0.942,1013 4.764,1014 1.025,1015 5.549,1016 2.979,1017 4.205,1018 4.905,1019 0.434,1020 6.319,1021 4.162,1022 5.973,1023 1,1024 7.071,1025 2.359,1026 3.611,1027 4.559,1029 7.081,1030 3.546,1031 7.27,1032 0.698,1033 8.69,1034 2.136,1035 5.753,1036 7.157,1037 0.138,1038 10.176,1039 5.668,1040 8.607,1041 0.394,1042 10.368,1043 1.691,1044 6.043,1045 7.729,1047 11.794,1048 5.932,1049 9.976,1050 -0.109,1051 12.084,1052 0.981,1053 7.576,1054 9.687,1055 0.039,1056 14.345,1057 7.45,1058 11.369,1059 -0.651,1060 13.827,1061 -0.288,1062 8.274,1063 10.699,1065 16.308,1066 8.121,1067 12.78,1068 -0.897,1069 15.588,1070 -1.743,1071 9.55,1072 12.381,1073 0.011,1074 18.667,1075 9.384,1076 3.027,1077 -0.946,1078 17.363,1079 -2.251,1080 10.445,1081 13.615,1083 20.781,1084 10.253,1085 2.784,1086 9.639,1087 19.147,1088 -2.347,1089 11.609,1090 15.173,1091 0.003,1092 23.067,1093 11.402,1094 2.533,1095 8.731,1096 20.939,1097 4.392,1098 12.6,1099 16.521,1101 25.25,1102 12.37,1103 2.134,1104 7.53,1105 22.736,1106 3.856,1107 13.716,1108 18.023,1109 0.001,1110 27.509,1111 13.469,1112 1.534,1113 6.089,1114 24.538,1115 3.446,1116 14.755,1117 19.429,1119 29.725,1120 14.487,1121 1.495,1122 4.277,1123 26.344,1124 2.97,1125 15.852,1126 20.91,1128 31.976,1129 15.567,1130 1.291,1131 3.745,1132 28.154,1133 2.301,1134 16.915,1135 22.346,1137 34.209,1138 16.611,1139 4697,1140 7599,1141 16.989,1142 24.074,1143 36.24,1144 35.803,1145 35.705,1146 35.836,1147 35.832,1148 51.174,1149 1.043,1150 100.312,1151 35.066,1152 5.231,1153 5.053,1154 6.108,1155 5.033,1156 5.027,1157 7.392,1158 1.043,1159 16.128,1160 4.974,1162 1.51,1163 1.492,1164 1.488,1165 1.493,1166 1.493,1167 2.132,1168 0.043,1169 4.18,1170 1.461,1171 4.12,1172 4.163,1173 4.083,1174 4.013,1175 5.144,1176 4.024,1177 3.947,1178 3.998,1179 3.89,1180 3.856,1181 5.035,1182 3.853,1183 3.771,1184 3.829,1185 3.723,1186 3.562,1187 4.736,1188 3.6,1189 3.314,1190 3.384,1191 3.234,1192 3.129,1193 4.331,1194 3.144,1195 3.039,1196 3.106,1197 2.908,1198 2.915,1199 3.811,1200 2.905,1201 2.909,1202 2.98,1203 2.789,1204 2.748,1205 3.757,1206 2.753,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.485,1214 2.582,1215 2.332,1216 2.268,1217 3.428,1218 2.264,1219 0.186,1220 0.127,1221 0.263,1222 0.167,1223 0.126,1224 4.47,1225 0.183,1226 3.053,1227 0.022,1228 6.306,1229 0.402,1230 4.009,1231 0.124,1232 3.027,1233 4.392,1234 0.522,1235 9.639,1236 2.974,1237 1.953,1238 1.931,1239 2.047,1240 2.031,1241 1.187,1242 2.036,1243 1.911,1244 1.881,1245 2.022,1246 2.004,1247 1.152,1248 2.012,1249 1.46,1250 1.401,1251 1.62,1252 1.701,1253 0.761,1254 1.676,1255 1.312,1256 1.23,1257 1.465,1258 1.643,1259 0.49,1260 1.593,1261 1.222,1262 1.166,1263 1.352,1264 1.426,1265 0.406,1266 1.395,1267 0.886,1268 0.821,1269 1.181,1270 1.073,1271 0.218,1272 1.107,1273 0.855,1274 0.785,1275 1.101,1276 1.065,1277 0.139,1278 1.091,1279 0.784,1280 0.695,1281 0.996,1282 1.062,1284 1.064,1285 3.892,1287 5.198,1288 3.045,1289 6.691,1290 5.283,1291 8.265,1292 7.273,1293 9.882,1301 0.724,1312 23.214,1313 49.258,1314 113.754,1315 140.219,1316 160.219,1317 162.974,1318 162.974,1319 19.905,1320 7.119,1321 59.39,1322 59.39,1323 22,1324 12.231,1325 4.459,1326 3.524,1327 28.192,1328 71,1329 65,1330 0.195,1331 142.299,1332 223.56,1333 338.97,1334 11728,1336 14.071,1337 0.67,1338 0.537,1339 14.071,1340 11.269,1341 10.382,1342 0.433,1343 0.282,1344 6.675,1345 10.017,1346 6.545,1347 5.444,1348 10.382,1349 6.759,1350 9.203,1351 0.279,1352 0.15,1353 9.203,1354 4.959,1355 7.97,1356 0.181,1357 0.079,1358 7.97,1359 3.462,1360 6.817,1361 0.118,1362 0.041,1363 6.817,1364 2.38,1365 5.099,1366 0.076,1367 0.022,1368 5.099,1369 1.504,1370 0.307,1371 64.768,1372 0.243,1373 21.045,1374 0.53,1375 114,1376 306.913,1377 122.687,1378 308.238,1379 436.31,1380 290,1381 134,1382 342.558,1383 144.463,1384 348.256,1385 500.37,1386 327,1387 6.5} {0 CHEMBL1682346,1 1.481,2 9.5,3 2.702,4 7.299,5 87.602,6 8.066,7 0.84,8 3.729,9 3.865,10 3.378,11 3.289,12 4.92,13 3.287,14 4.184,15 4.342,16 3.717,17 3.677,18 5.299,19 3.657,20 4.367,21 4.568,22 3.645,23 3.722,24 5.437,25 3.659,26 4.414,27 4.662,28 3.511,29 3.611,30 5.404,31 3.534,32 4.232,33 4.482,34 3.41,35 3.438,36 5.241,37 3.383,38 4.084,39 4.317,40 3.339,41 3.322,42 5.184,43 3.276,44 3.975,45 4.224,46 3.162,47 3.193,48 5.05,49 3.126,50 3.773,51 4.005,52 2.866,53 3.114,54 4.683,55 3.011,56 0.109,57 0.62,58 6.431,59 2.74,60 9.942,61 3.474,62 0.109,63 0.943,64 10.858,65 4.532,66 9.57,67 5.932,68 0.139,69 1.052,70 14.665,71 5.625,72 20.758,73 7.641,74 0.194,75 1.039,76 17.541,77 5.64,78 24.807,79 8.03,80 0.171,81 0.875,82 14.76,83 4.522,84 19.882,85 6.487,86 0.193,87 0.78,88 12.084,89 3.862,90 21.554,91 5.426,92 0.269,93 0.686,94 11.284,95 3.601,96 22.073,97 5.045,98 0.097,99 0.534,100 8.867,101 3.368,102 10.454,103 4.651,104 2,105 35,106 0.263,107 0.626,108 0.747,109 0.846,110 0.859,111 0.859,112 3.147,113 0.837,114 -3.8,115 -3.76,116 -3.57,119 44.4,125 1,142 8,143 3,146 2,151 1,153 1,163 1,164 1,165 1,166 2,168 1,172 10,174 1,175 4,179 1,180 2,182 1,183 10,185 1,188 9,190 1,191 1,193 3,196 5,198 1,200 12,205 4,210 2,213 9,218 1,221 1,223 1,224 1,225 3,227 1,228 2,233 4,238 2,239 1,241 2,242 4,247 8,261 9,266 1,271 2,274 6,276 1,278 614,279 15.24,280 15.24,281 15.24,282 15.24,283 15.24,284 12.776,285 11.544,286 9.033,287 15.43,288 12.376,289 12.376,290 12.376,291 12.376,292 12.376,293 8.751,294 16.058,295 4.343,296 12.682,297 3.689,298 1.647,299 0.965,300 0.41,301 0.333,302 0.333,303 3.848,306 1,307 1,308 1,309 469,310 2.121,313 104.757,314 124.524,317 85.729,321 1.636,322 11.762,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 47,334 209,335 4.56,336 3.131,337 6.522,338 4.086,339 3.107,340 4.511,341 0.522,342 10.235,343 3.042,344 4.23,345 2.959,346 6.134,347 3.811,348 2.846,349 3.876,351 9.05,352 2.746,353 3.913,354 2.69,355 5.546,356 3.539,357 2.551,358 3.45,360 7.549,361 2.521,362 3.577,363 2.213,364 5.053,365 3.13,366 2.156,367 3.009,369 6.105,370 2.094,371 3.297,372 1.939,373 4.949,374 2.825,375 1.869,376 2.634,378 5.409,379 1.783,380 2.939,381 1.563,382 4.287,383 2.483,384 1.496,385 2.123,387 3.94,388 1.476,389 2.78,390 1.35,391 3.996,392 2.292,393 1.317,394 1.906,396 3.16,397 1.281,398 2.604,399 1.17,400 3.576,401 2.11,402 1.139,403 1.651,405 2.932,406 1.103,407 2.5,408 1,409 3.279,410 2,411 1,412 1.5,414 2.136,415 1,416 2.206,417 0.757,418 3.247,419 1.711,420 0.734,421 1.069,423 1.738,424 0.716,425 2.082,426 0.632,427 3.216,428 1.594,429 0.61,430 0.889,432 1.488,433 0.599,434 1.185,435 0.111,436 2.774,437 0.87,438 -0.102,439 -0.127,441 -0.269,442 -0.098,443 0.937,444 -0.327,445 2.484,446 0.536,447 -0.433,448 -0.563,450 -1.039,451 -0.417,452 0.652,453 -0.746,454 2.171,455 0.18,456 -0.809,457 -1.104,459 -2.168,460 -0.799,461 0.5,462 -0.828,463 2,464 0.056,465 -0.912,466 -1.247,468 -2.347,469 -0.882,470 10.4,471 0.473,472 0.465,473 0.021,474 32.5,475 1.477,476 18.5,477 0.841,478 14,479 0.636,480 12.908,481 0.587,482 22,483 0.611,484 21.101,485 0.959,486 6.643,487 0.302,488 4.15,489 0.189,490 0.038,492 0.327,497 0.747,498 0.882,499 0.722,500 0.811,501 0.996,502 0.771,503 0.828,504 1.131,505 0.813,506 1.006,507 0.692,508 0.926,509 0.965,510 1.187,511 1.06,512 1.183,513 0.948,514 1.146,515 1.215,516 1.141,517 1.077,518 1.054,519 1.048,520 1.045,521 1.267,522 1.108,523 0.951,524 0.905,525 1.013,526 0.883,527 1.074,528 1.036,529 0.979,530 0.971,531 0.961,532 0.962,533 0.87,534 0.563,535 1.026,536 0.806,537 1.059,538 0.915,539 0.943,540 0.792,541 1.1,542 0.979,543 0.874,544 1.048,545 4,546 0.073,547 2.222,548 1.264,549 0.809,550 0.521,551 0.347,552 0.194,553 0.056,554 0.118,555 5655,556 14700,557 2.205,558 38.9,560 10,561 1,563 3,568 1.64,569 2.129,570 3.241,571 1.069,572 1,573 1,575 1,578 53.305,579 1.481,580 3.523,581 4.205,582 4.76,583 4.837,584 4.837,585 2.698,586 4.187,587 4.432,588 3.402,589 785.953,590 7.588,591 8673.32,592 1,593 1,594 1,595 1,596 186.117,597 1.143,598 4.418,599 0.16,600 0.006,601 0.063,602 0.041,603 0.031,604 0.022,605 0.016,606 0.011,607 0.004,608 0.009,609 0.363,610 0.67,611 1,612 0.405,613 101.742,614 0.199,615 0.266,616 0.051,617 0.118,618 -0.096,619 0.072,620 0.043,621 -0.051,622 0.003,623 -0.049,624 0.02,625 -0.033,626 -0.08,627 -0.185,628 -0.158,629 -0.211,630 -0.041,631 -0.2,632 -0.174,633 -0.188,634 -0.067,635 -0.094,636 -0.099,637 -0.069,638 -0.163,639 -0.143,640 0.069,641 0.042,642 -0.019,643 0.083,644 0.079,645 -0.027,646 0.008,647 -0.047,648 0.127,649 -0.034,650 0.328,651 0.444,652 -0.011,653 0.119,654 0.076,655 0.023,656 -0.177,657 0.139,658 -0.144,659 0.049,660 -0.144,661 -0.025,662 1.103,663 1.871,664 0.909,665 17.901,666 1.004,667 1.129,668 2.569,669 6.599,670 0.697,671 3.258,672 3.584,673 3.871,674 4.143,675 4.304,676 4.369,677 4.522,678 4.663,679 4.691,680 4.718,681 5.767,682 0.673,683 290.36,684 3.258,685 4.796,686 5.652,687 6.529,688 7.401,689 8.282,690 9.159,691 10.044,692 10.924,693 11.811,694 16.7,698 1,702 2,704 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,727 1,735 36,737 21,738 2,739 25,741 39,742 16,743 15,744 4,745 8,748 4,749 5,762 15,763 1,779 1,780 1,783 14,784 4,785 3,786 6,792 6,796 0.75,806 1,814 2,815 2,818 1,842 3,850 22,851 1,856 1,869 1,879 10.333,880 6.383,881 4.75,882 1.994,884 3.955,885 1.546,886 1.065,887 3.13,888 11.197,889 3.597,890 4.263,891 4.907,892 5.538,893 6.008,894 6.352,895 6.843,896 7.319,897 7.595,898 7.911,899 1,900 31,901 8.042,903 3.434,904 7.636,905 15.4,907 12.722,909 2.136,910 47,914 129.482,915 103.136,916 101.203,921 103.136,922 129.482,923 101.203,925 2.106,926 117.755,927 49.867,928 34.612,929 11.771,930 117.711,932 129.482,933 204.339,937 129.482,941 27.774,942 126.699,943 49.867,945 129.482,946 101.203,947 103.136,950 129.482,951 18.279,952 86.634,953 16.663,954 82.764,955 129.482,956 101.203,957 103.136,959 0.582,960 0.34,961 0.185,962 0.095,963 19,964 7,965 0.077,966 3,967 1,968 1.1,969 3.599,970 175.739,971 0.1,972 20,973 94.107,979 13.044,980 5.279,981 2.502,982 1.744,983 82.764,984 17.98,985 12.558,986 2.78,989 3.542,990 1.827,991 49.56,992 333.821,993 35.5,1005 36.145,1006 40.651,1007 0.286,1008 0.681,1009 0.813,1010 0.921,1011 0.936,1012 0.936,1013 4.806,1014 1.139,1015 5.624,1016 3.16,1017 4.263,1018 4.949,1019 0.434,1020 6.418,1021 4.214,1022 6.028,1023 1,1024 7.166,1025 2.932,1026 3.761,1027 4.691,1029 7.248,1030 3.677,1031 7.336,1032 0.734,1033 8.806,1034 2.136,1035 5.838,1036 7.221,1037 0.138,1038 10.348,1039 5.742,1040 8.685,1041 0.61,1042 10.505,1043 1.738,1044 6.196,1045 7.861,1047 12.034,1048 6.065,1049 10.067,1050 -0.102,1051 12.243,1052 1.488,1053 7.699,1054 9.787,1055 0.039,1056 14.615,1057 7.556,1058 11.472,1059 -0.433,1060 14.007,1061 -0.269,1062 8.453,1063 10.858,1065 16.651,1066 8.277,1067 12.896,1068 -0.809,1069 15.791,1070 -1.039,1071 9.721,1072 12.529,1073 0.011,1074 19.053,1075 9.531,1076 3.107,1077 -0.912,1078 17.589,1079 -2.168,1080 10.663,1081 13.815,1083 21.24,1084 10.442,1085 2.846,1086 10.235,1087 19.398,1088 -2.347,1089 11.833,1090 15.378,1091 0.003,1092 23.577,1093 11.596,1094 2.551,1095 9.05,1096 21.217,1097 4.511,1098 12.864,1099 16.771,1101 25.83,1102 12.599,1103 2.156,1104 7.549,1105 23.042,1106 3.876,1107 13.995,1108 18.29,1109 0.001,1110 28.146,1111 13.712,1112 1.869,1113 6.105,1114 24.874,1115 3.45,1116 15.068,1117 19.735,1119 30.43,1120 14.76,1121 1.496,1122 5.409,1123 26.711,1124 3.009,1125 16.187,1126 21.238,1128 32.741,1129 15.859,1130 1.317,1131 3.94,1132 28.551,1133 2.634,1134 17.281,1135 22.71,1137 35.04,1138 16.93,1139 5231,1140 8564,1141 17.394,1142 25.08,1143 38.135,1144 37.608,1145 38.008,1146 37.688,1147 37.648,1148 53.238,1149 1.043,1150 107.483,1151 36.724,1152 5.321,1153 5.131,1154 6.324,1155 5.11,1156 5.107,1157 7.511,1158 1.043,1159 16.761,1160 5.042,1161 5.858,1162 1.525,1163 1.504,1164 1.52,1165 1.508,1166 1.506,1167 2.13,1168 0.042,1169 4.299,1170 1.469,1171 4.122,1172 4.165,1173 4.091,1174 4.013,1175 5.249,1176 4.026,1177 3.948,1178 4,1179 3.893,1180 3.856,1181 5.086,1182 3.853,1183 3.774,1184 3.832,1185 3.726,1186 3.565,1187 4.746,1188 3.604,1189 3.374,1190 3.449,1191 3.29,1192 3.168,1193 4.727,1194 3.189,1195 3.065,1196 3.137,1197 2.937,1198 2.931,1199 4.283,1200 2.924,1201 2.897,1202 2.991,1203 2.786,1204 2.735,1205 3.803,1206 2.728,1207 2.854,1208 2.925,1209 2.687,1210 2.721,1211 3.674,1212 2.715,1213 2.687,1214 2.815,1215 2.456,1216 2.349,1217 3.662,1218 2.362,1219 0.182,1220 0.125,1221 0.261,1222 0.163,1223 0.124,1224 4.56,1225 0.18,1226 3.131,1227 0.021,1228 6.522,1229 0.409,1230 4.086,1231 0.122,1232 3.107,1233 4.511,1234 0.522,1235 10.235,1236 3.042,1237 1.946,1238 1.925,1239 2.046,1240 2.023,1241 1.181,1242 2.031,1243 1.911,1244 1.881,1245 2.01,1246 1.996,1247 1.146,1248 2.003,1249 1.459,1250 1.4,1251 1.618,1252 1.748,1253 0.759,1254 1.697,1255 1.394,1256 1.308,1257 1.546,1258 1.695,1259 0.492,1260 1.67,1261 1.212,1262 1.153,1263 1.335,1264 1.438,1265 0.415,1266 1.398,1267 0.886,1268 0.821,1269 1.181,1270 1.112,1271 0.218,1272 1.107,1273 0.831,1274 0.761,1275 1.059,1276 1.07,1277 0.072,1278 1.101,1279 0.771,1280 0.687,1281 1.039,1282 1.062,1283 0.016,1284 1.065,1285 3.932,1287 5.252,1288 3.045,1289 6.758,1290 5.352,1291 8.345,1292 7.391,1293 9.975,1299 5.871,1301 0.698,1312 24.236,1313 53.305,1314 126.833,1315 151.362,1316 171.362,1317 174.117,1318 174.117,1319 23.409,1320 7.242,1321 85.41,1322 85.41,1323 22,1324 12.343,1325 4.459,1326 3.524,1327 30.076,1328 76,1329 72,1330 0.194,1331 149.094,1332 234.56,1333 355.548,1334 13554,1336 14.941,1337 0.679,1338 0.535,1339 14.941,1340 11.769,1341 10.793,1342 0.432,1343 0.279,1344 6.882,1345 10.399,1346 6.753,1347 5.614,1348 10.793,1349 6.975,1350 9.731,1351 0.278,1352 0.147,1353 9.731,1354 5.156,1355 8.452,1356 0.18,1357 0.077,1358 8.452,1359 3.605,1360 7.127,1361 0.115,1362 0.04,1363 7.127,1364 2.468,1365 5.489,1366 0.075,1367 0.022,1368 5.489,1369 1.585,1370 0.305,1371 67.475,1372 0.24,1373 21.857,1374 0.529,1375 120,1376 324.226,1377 130.102,1378 326.55,1379 461.86,1380 306,1381 142,1382 364.756,1383 153.823,1384 370.396,1385 534.41,1386 348,1387 6.6} {0 CHEMBL1682357,1 1.489,2 9.381,3 3.719,4 13.834,5 81.842,6 8.098,7 0.875,8 3.666,9 3.769,10 3.327,11 3.289,12 4.837,13 3.276,14 4.126,15 4.256,16 3.652,17 3.667,18 5.217,19 3.638,20 4.306,21 4.488,22 3.541,23 3.692,24 5.307,25 3.616,26 4.333,27 4.556,28 3.419,29 3.568,30 5.293,31 3.485,32 4.118,33 4.337,34 3.321,35 3.377,36 5.119,37 3.321,38 3.967,39 4.152,40 3.25,41 3.241,42 5.052,43 3.204,44 3.846,45 4.061,46 3.017,47 3.122,48 4.842,49 3.053,50 3.615,51 3.81,52 2.778,53 3.049,54 4.533,55 2.94,56 0.089,57 0.489,58 5.769,59 2.827,60 7.65,61 3.443,62 0.028,63 0.766,64 9.803,65 4.683,66 7.26,67 5.748,68 0.091,69 0.894,70 13.739,71 5.96,72 15.841,73 7.561,74 0.171,75 0.894,76 16.417,77 6.331,78 21.587,79 8.067,80 0.115,81 0.734,82 12.958,83 4.906,84 16.985,85 6.302,86 0.215,87 0.622,88 10.632,89 3.953,90 18.48,91 4.785,92 0.174,93 0.575,94 9.835,95 3.626,96 15.247,97 4.531,98 0.045,99 0.433,100 7.02,101 3.227,102 7.267,103 4.257,105 33,106 0.267,107 0.577,108 0.717,109 0.846,110 0.861,111 0.861,112 3.103,113 0.852,114 -4.12,115 -4.06,116 -3.84,119 50,121 1,142 9,143 3,145 1,146 1,152 2,166 1,168 1,172 11,175 5,180 2,183 14,188 7,193 2,196 10,200 9,205 1,208 6,213 6,221 5,224 1,225 4,228 1,230 1,233 7,238 1,239 1,242 1,247 8,253 1,258 1,261 9,266 1,271 1,274 6,278 537,279 14.74,280 14.74,281 14.74,282 14.74,283 14.74,284 12.321,285 7.276,286 8.859,287 14.842,288 11.909,289 11.909,290 11.909,291 11.909,292 11.909,293 8.36,294 10.294,295 4.271,296 12.063,297 3.598,298 1.875,299 1.097,300 0.375,301 0.294,302 0.294,303 3.808,306 1,307 1,308 1,309 446,310 2,313 99.611,314 118.01,317 81.465,321 1.601,322 9.794,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 44.5,334 197,335 4.47,336 3.079,337 6.306,338 4.018,339 3.027,340 4.392,341 0.68,342 9.639,343 3.001,344 4.197,345 2.927,346 6.033,347 3.768,348 2.784,349 3.856,351 8.731,352 2.737,353 3.906,354 2.644,355 5.542,356 3.529,357 2.533,358 3.446,360 7.53,361 2.523,362 3.551,363 2.219,364 5.048,365 3.115,366 2.134,367 2.97,369 6.089,370 2.091,371 3.034,372 1.572,373 4.407,374 2.518,375 1.534,376 2.301,378 4.277,379 1.509,380 2.936,381 1.534,382 4.194,383 2.492,384 1.495,385 2.118,387 3.745,388 1.489,389 2.751,390 1.343,391 3.578,392 2.276,393 1.291,394 1.863,396 2.979,397 1.27,398 2.512,399 1.042,400 3.432,401 2,402 1.025,403 1.518,405 2.359,406 1,407 2.5,408 1,409 3.274,410 2,411 1,412 1.5,414 2.136,415 0.997,416 2.186,417 0.707,418 3.247,419 1.686,420 0.698,421 1.034,423 1.691,424 0.689,425 1.889,426 0.399,427 3.031,428 1.367,429 0.394,430 0.588,432 0.981,433 0.383,434 1.18,435 0.128,436 2.761,437 0.886,438 -0.109,439 -0.136,441 -0.288,442 -0.108,443 0.79,444 -0.611,445 2.466,446 0.344,447 -0.651,448 -0.897,450 -1.743,451 -0.647,452 0.578,453 -0.766,454 2.112,455 0.093,456 -0.897,457 -1.241,459 -2.251,460 -0.885,461 0.5,462 -0.92,463 1.611,464 0.042,465 -0.946,466 -1.368,468 -2.347,469 -0.936,470 10.033,471 0.478,472 0.376,473 0.018,474 31.25,475 1.488,476 18,477 0.857,478 13.25,479 0.631,480 12.081,481 0.575,482 20.567,483 0.605,484 19.094,485 0.909,486 6.383,487 0.304,488 3.999,489 0.19,492 0.299,497 0.587,498 0.844,499 0.682,500 0.825,501 0.649,502 0.779,503 0.848,504 1.167,505 0.845,506 1.066,507 0.849,508 0.974,509 0.969,510 1.105,511 1.099,512 1.165,513 1,514 1.153,515 1.336,516 1.006,517 1.05,518 0.997,519 1.172,520 0.997,521 1.251,522 0.993,523 0.91,524 0.941,525 1.115,526 0.888,527 1.517,528 0.996,529 1.044,530 0.954,531 1.266,532 0.951,533 1.36,534 0.744,535 1.082,536 0.825,537 1.21,538 0.907,539 0.603,540 0.97,541 1.065,542 1.105,543 0.838,544 1.148,545 3.5,546 0.04,547 1.778,548 0.917,549 0.769,550 0.348,551 0.321,552 0.122,553 0.056,554 0.078,555 5126,556 12986,557 2.246,558 38.2,560 9,562 1,563 1,564 2,568 1.626,569 2.211,570 3.236,571 -0.338,573 1,575 1,578 50.626,579 1.489,580 3.213,581 3.991,582 4.712,583 4.793,584 4.793,585 2.701,586 4.107,587 4.365,588 3.374,589 708.442,590 7.449,591 7553.57,592 1,593 1,594 1,595 1,596 172.974,597 0.863,598 4.366,599 0.146,600 0.004,601 0.054,602 0.033,603 0.032,604 0.016,605 0.016,606 0.008,607 0.004,608 0.006,609 0.319,610 0.83,611 1,613 95.579,614 0.271,615 0.19,616 0.07,617 0.075,618 0.13,619 0.047,620 -0.041,621 -0.173,622 -0.044,623 -0.144,624 -0.063,625 -0.102,626 -0.1,627 -0.149,628 -0.187,629 -0.203,630 -0.127,631 -0.204,632 -0.132,633 -0.076,634 -0.01,636 -0.067,637 0.007,638 -0.064,639 -0.028,640 0.12,641 0.038,642 0.037,643 0.097,644 0.112,645 -0.011,646 -0.033,647 -0.007,648 0.058,649 -0.038,650 -0.068,651 0.262,652 -0.059,653 0.133,654 -0.046,655 0.048,656 -0.054,657 -0.069,658 -0.154,659 -0.096,660 -0.137,661 -0.135,662 0.885,663 1.968,664 0.952,665 16.653,666 1.001,667 1.111,668 2.886,669 8.328,670 0.714,671 3.219,672 3.526,673 3.807,674 4.078,675 4.22,676 4.29,677 4.443,678 4.564,679 4.564,680 4.625,681 5.633,682 0.689,683 275.33,684 3.219,685 4.745,686 5.595,687 6.463,688 7.326,689 8.199,690 9.067,691 9.943,692 10.815,693 11.692,694 8.8,702 1,704 2,708 2,709 10,710 2,711 1,712 1,714 4,716 21,735 34,737 21,738 2,739 24,741 37,742 17,743 16,744 4,745 8,748 4,749 5,760 1,762 16,763 1,780 1,783 13,784 3,785 1,786 4,791 1,792 3,796 0.75,797 1,806 1,814 2,815 2,818 1,842 3,850 21,856 1,872 2.9,877 1,879 9.5,880 6.15,881 4.556,882 1.985,884 3.946,885 1.554,886 1.059,887 2.964,888 11.065,889 3.57,890 4.22,891 4.856,892 5.483,893 5.935,894 6.278,895 6.767,896 7.231,897 7.47,898 7.832,899 1,900 28,901 7.693,903 3.28,904 7.571,905 14.857,907 12.328,909 2.071,910 43.5,911 0.001,914 141.253,915 116.162,916 52.923,918 9.734,921 116.162,922 150.987,923 52.923,925 2.535,926 85.286,927 48.031,928 47.145,929 7.593,930 129.482,932 141.253,933 169.085,934 9.734,937 141.253,938 9.734,941 31.002,942 101.823,943 36.26,945 141.253,946 62.657,947 116.162,950 141.253,951 21.828,952 94.334,953 16.663,954 45.994,955 141.253,956 62.657,957 116.162,959 0.576,960 0.334,961 0.185,962 0.092,963 18,964 6,965 0.081,966 3,967 1,968 1.1,969 3.562,970 163.624,971 0.1,972 20,973 88.239,979 12.215,980 5.095,981 2.426,982 2.08,983 45.994,984 20.103,985 8.183,986 2.94,987 5.468,989 3.95,991 16.663,992 320.072,993 34.5,1005 34.051,1006 37.78,1007 0.293,1008 0.631,1009 0.784,1010 0.926,1011 0.942,1012 0.942,1013 4.764,1014 1.025,1015 5.549,1016 2.979,1017 4.205,1018 4.905,1019 0.655,1020 6.319,1021 4.181,1022 5.973,1023 1,1024 7.071,1025 2.359,1026 3.611,1027 4.559,1029 7.081,1030 3.578,1031 7.27,1032 0.698,1033 8.69,1034 2.136,1035 5.753,1036 7.157,1037 0.356,1038 10.176,1039 5.707,1040 8.607,1041 0.394,1042 10.368,1043 1.691,1044 6.043,1045 7.729,1047 11.794,1048 5.986,1049 9.976,1050 -0.109,1051 12.084,1052 0.981,1053 7.576,1054 9.687,1055 0.18,1056 14.345,1057 7.511,1058 11.369,1059 -0.651,1060 13.827,1061 -0.288,1062 8.274,1063 10.699,1065 16.308,1066 8.196,1067 12.78,1068 -0.897,1069 15.588,1070 -1.743,1071 9.55,1072 12.381,1073 0.087,1074 18.667,1075 9.466,1076 3.027,1077 -0.946,1078 17.363,1079 -2.251,1080 10.445,1081 13.615,1083 20.781,1084 10.348,1085 2.784,1086 9.639,1087 19.147,1088 -2.347,1089 11.609,1090 15.173,1091 0.041,1092 23.067,1093 11.505,1094 2.533,1095 8.731,1096 20.939,1097 4.392,1098 12.6,1099 16.521,1101 25.25,1102 12.484,1103 2.134,1104 7.53,1105 22.736,1106 3.856,1107 13.716,1108 18.023,1109 0.019,1110 27.509,1111 13.592,1112 1.534,1113 6.089,1114 24.538,1115 3.446,1116 14.755,1117 19.429,1119 29.725,1120 14.62,1121 1.495,1122 4.277,1123 26.344,1124 2.97,1125 15.852,1126 20.91,1127 0.009,1128 31.976,1129 15.709,1130 1.291,1131 3.745,1132 28.154,1133 2.301,1134 16.915,1135 22.346,1137 34.209,1138 16.763,1139 4697,1140 7603,1141 16.989,1142 24.279,1143 36.24,1144 35.826,1145 35.705,1146 35.812,1147 35.832,1148 51.174,1149 1.36,1150 100.312,1151 35.376,1152 5.231,1153 5.079,1154 6.108,1155 5.037,1156 5.027,1157 7.392,1158 1.36,1159 16.128,1160 5.001,1162 1.51,1163 1.493,1164 1.488,1165 1.492,1166 1.493,1167 2.132,1168 0.057,1169 4.18,1170 1.474,1171 4.119,1172 4.154,1173 4.083,1174 4.017,1175 5.23,1176 4.028,1177 3.94,1178 3.972,1179 3.881,1180 3.865,1181 5.067,1182 3.861,1183 3.77,1184 3.796,1185 3.724,1186 3.601,1187 4.742,1188 3.628,1189 3.306,1190 3.37,1191 3.224,1192 3.15,1193 4.33,1194 3.159,1195 3.046,1196 3.102,1197 2.915,1198 2.911,1199 3.832,1200 2.904,1201 2.911,1202 2.978,1203 2.791,1204 2.753,1205 3.765,1206 2.756,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.483,1214 2.567,1215 2.325,1216 2.284,1217 3.466,1218 2.279,1219 0.186,1220 0.128,1221 0.263,1222 0.167,1223 0.126,1224 4.47,1225 0.183,1226 3.079,1227 0.028,1228 6.306,1229 0.402,1230 4.018,1231 0.125,1232 3.027,1233 4.392,1234 0.68,1235 9.639,1236 3.001,1237 1.953,1238 1.934,1239 2.051,1240 2.026,1241 1.197,1242 2.031,1243 1.914,1244 1.886,1245 2.021,1246 1.995,1247 1.155,1248 2.009,1249 1.491,1250 1.455,1251 1.646,1252 1.655,1253 0.8,1254 1.631,1255 1.312,1256 1.231,1257 1.465,1258 1.604,1259 0.48,1260 1.588,1261 1.208,1262 1.187,1263 1.342,1264 1.463,1265 0.405,1266 1.401,1267 0.886,1268 0.821,1269 1.181,1270 1.082,1271 0.218,1272 1.107,1273 0.862,1274 0.799,1275 1.105,1276 1.062,1277 0.154,1278 1.088,1279 0.775,1280 0.718,1281 0.997,1282 1.053,1284 1.054,1285 3.892,1287 5.198,1288 3.045,1289 6.691,1290 5.283,1291 8.265,1292 7.273,1293 9.882,1301 0.776,1312 23.413,1313 50.626,1314 109.225,1315 135.69,1316 160.219,1317 162.974,1318 162.974,1319 20.996,1320 7.119,1321 54.71,1322 54.71,1323 22,1324 12.231,1325 4.459,1326 3.524,1327 28.192,1328 71,1329 65,1330 0.195,1331 142.299,1332 227.65,1333 338.97,1334 11728,1336 14.071,1337 0.67,1338 0.537,1339 14.071,1340 11.283,1341 10.382,1342 0.433,1343 0.284,1344 6.743,1345 10.052,1346 6.607,1347 5.486,1348 10.382,1349 6.814,1350 9.203,1351 0.279,1352 0.152,1353 9.203,1354 5.017,1355 7.97,1356 0.181,1357 0.08,1358 7.97,1359 3.512,1360 6.817,1361 0.118,1362 0.042,1363 6.817,1364 2.432,1365 5.099,1366 0.076,1367 0.023,1368 5.099,1369 1.544,1370 0.307,1371 64.609,1372 0.243,1373 21.045,1374 0.53,1375 114,1376 313.359,1377 122.372,1378 310.142,1379 437.82,1380 292,1381 134,1382 343.122,1383 143.565,1384 346.329,1385 498.34,1386 326,1387 6.6} {0 CHEMBL1682359,1 1.541,2 7.765,3 3.143,4 9.881,5 66.348,6 7.576,7 0.789,8 3.529,9 3.647,10 3.129,11 3.082,12 4.655,13 3.066,14 4.019,15 4.185,16 3.444,17 3.452,18 5.038,19 3.417,20 4.174,21 4.393,22 3.324,23 3.453,24 5.122,25 3.375,26 4.158,27 4.387,28 3.214,29 3.331,30 5.119,31 3.258,32 3.932,33 4.154,34 2.999,35 3.111,36 4.896,37 3.043,38 3.721,39 3.918,40 2.874,41 2.935,42 4.732,43 2.87,44 3.585,45 3.821,46 2.628,47 2.817,48 4.513,49 2.709,50 3.482,51 3.745,52 2.206,53 2.69,54 4.211,55 2.502,56 0.089,57 0.457,58 6.001,59 2.663,60 7.716,61 3.448,62 0.043,63 0.712,64 10.722,65 4.398,66 8.516,67 5.918,68 0.112,69 0.767,70 13.917,71 5.171,72 16.349,73 7.169,74 0.183,75 0.718,76 14.443,77 4.772,78 20.664,79 6.521,80 0.149,81 0.571,82 11.388,83 3.732,84 16.38,85 5.038,86 0.211,87 0.46,88 9.047,89 3.067,90 15.155,91 4.092,92 0.118,93 0.436,94 7.773,95 2.745,96 11.025,97 3.906,98 0.037,99 0.36,100 7.161,101 2.896,102 7.096,103 4.222,104 4,105 26,106 0.291,107 0.678,108 0.82,109 0.87,110 0.87,111 0.87,112 2.908,113 0.909,114 -3.34,115 -3.32,116 -3.18,119 43.3,120 1,121 2,142 4,143 2,145 1,146 1,152 2,166 1,168 1,172 6,175 5,180 2,183 7,188 7,193 2,196 5,200 8,205 1,208 4,213 3,221 3,224 1,225 1,228 1,230 1,233 5,238 1,242 1,247 4,253 1,258 1,261 2,266 1,271 1,278 298,279 11.886,280 11.886,281 11.886,282 11.886,283 11.886,284 10.219,285 3.638,286 7.151,287 11.989,288 9.374,289 9.374,290 9.374,291 9.374,292 9.374,293 6.843,294 1.471,295 3.329,296 9.53,297 3.366,298 1.309,299 0.558,300 0.292,301 0.292,302 0.292,303 3.588,307 1,308 1,309 289,310 2.121,313 77.301,314 38.527,317 61.84,321 1.308,322 9.047,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 36.5,334 132,335 4.469,336 3.041,337 6.305,338 4.015,339 3.024,340 4.392,342 9.634,343 2.998,344 4.179,345 2.819,346 6.029,347 3.74,348 2.757,349 3.842,351 8.706,352 2.707,353 3.615,354 2.413,355 5.293,356 3.253,357 2.273,358 3.007,360 6.749,361 2.225,362 3.034,363 1.536,364 4.414,365 2.518,366 1.534,367 2.301,369 4.292,370 1.508,371 2.862,372 1.523,373 4.215,374 2.463,375 1.471,376 2.002,378 3.808,379 1.459,380 2.539,381 1.102,382 3.437,383 2.073,384 1.099,385 1.557,387 2.387,388 1.068,389 2.213,390 0.923,391 3.286,392 1.902,393 0.919,394 1.115,396 1.812,397 0.902,398 2.055,399 0.688,400 3.084,401 1.674,402 0.682,403 0.96,405 1.503,406 0.676,407 1.883,408 0.394,409 3,410 1.364,411 0.392,412 0.583,414 0.969,415 0.38,416 0.812,417 -0.261,418 2.498,419 0.562,420 -0.436,421 -0.482,423 -0.732,424 -0.435,425 0.644,426 -0.677,427 2.12,428 0.309,429 -0.683,430 -0.936,432 -1.79,433 -0.677,434 0.564,435 -0.916,436 1.763,437 0.065,438 -0.916,439 -1.354,441 -2.511,442 -0.897,443 0.049,444 -1.294,445 1.557,446 -0.351,447 -1.337,448 -1.598,450 -3.244,451 -1.31,452 -0.092,453 -1.415,454 1.476,455 -0.475,456 -1.458,457 -1.928,459 -4.145,460 -1.438,461 -0.105,462 -1.605,463 1.251,464 -0.636,465 -1.605,466 -2.408,468 -4.688,469 -1.555,470 8.033,471 0.473,472 0.307,473 0.018,474 22.75,475 1.338,476 12,477 0.706,478 10.75,479 0.632,480 10.833,481 0.637,482 17.767,483 0.592,484 12.817,485 0.754,486 4.401,487 0.259,488 3.964,489 0.233,490 0.062,492 0.311,497 0.597,498 0.984,499 0.741,500 0.959,501 0.635,502 0.889,503 0.816,504 1.216,505 0.786,506 1.071,507 0.735,508 0.946,509 0.941,510 1.04,511 0.934,512 1.031,513 0.879,514 0.988,515 1.464,516 0.972,517 1.047,518 0.931,519 1.299,520 0.934,521 1.575,522 0.965,523 1.115,524 0.967,525 1.451,526 0.975,527 1.394,528 1.022,529 1.113,530 0.995,531 1.202,532 1.038,533 0.721,534 0.955,535 1.096,536 1.07,537 0.892,538 1.128,539 0.315,540 1.146,541 1.076,542 1.312,543 0.701,544 1.312,545 3,546 0.02,547 1.778,548 0.729,549 0.743,550 0.372,551 0.171,552 0.106,553 0.064,554 0.04,555 2507,556 6180,557 2.163,558 43.3,559 5,560 4,562 1,563 1,564 2,568 1.566,569 2.082,570 2.977,571 -0.256,573 1,574 1,575 1,578 46.24,579 1.541,580 3.598,581 4.348,582 4.615,583 4.615,584 4.615,585 2.498,586 3.852,587 4.056,588 3.064,589 416.717,590 6.845,591 3696.03,593 1,595 1,596 147.207,597 1.166,598 4.043,599 0.158,600 0.01,601 0.068,602 0.033,603 0.039,604 0.025,605 0.013,606 0.011,607 0.011,608 0.01,609 0.378,610 0.83,611 1,612 0.962,613 70.221,614 0.276,615 0.159,616 0.076,617 0.046,618 0.182,619 0.03,620 -0.006,621 -0.168,622 0.085,623 -0.069,624 0.081,625 0.009,626 -0.058,627 -0.073,628 0.009,629 -0.044,630 0.015,631 -0.01,632 -0.197,633 -0.032,634 -0.043,635 0.024,636 -0.146,637 0.016,638 -0.236,639 -0.013,640 -0.113,641 -0.02,642 -0.233,643 -0.04,644 0.115,645 -0.071,646 -0.117,647 -0.038,648 0.03,649 -0.115,650 0.08,651 0.054,652 -0.148,653 -0.128,654 0.018,655 -0.176,656 0.068,657 -0.27,658 -0.142,659 -0.287,660 -0.081,661 -0.256,662 0.85,663 1.848,664 0.824,665 10.858,666 1.002,667 1.126,668 2.106,669 4.437,670 0.676,671 2.996,672 3.296,673 3.584,674 3.85,675 3.951,676 4.06,677 4.159,678 4.22,679 4.143,680 4.094,681 4.591,682 0.647,683 227.29,684 2.996,685 4.511,686 5.361,687 6.232,688 7.101,689 7.978,690 8.853,691 9.733,692 10.61,693 11.49,694 10,702 1,704 2,708 2,709 5,710 2,711 1,712 1,714 3,716 15,735 30,737 15,738 1,739 19,741 32,742 13,743 10,744 3,745 3,748 3,749 4,754 1,760 2,762 10,763 3,780 1,783 13,784 3,785 1,786 4,791 1,792 3,796 0.667,797 1,806 1,814 2,815 1,818 1,842 2,846 1,850 17,856 2,872 3.3,877 1,879 8.167,880 5.733,881 3.806,882 1.999,884 2.916,885 1.455,886 1.014,887 2.595,888 9.326,889 3.314,890 3.961,891 4.623,892 5.263,893 5.68,894 6.107,895 6.568,896 7.002,897 7.164,898 7.432,899 1,900 22,901 6.233,903 2.605,904 7.578,905 12.07,907 9.844,909 2.078,910 35.333,911 0.003,914 141.253,915 76.955,916 52.923,918 9.734,921 76.955,922 150.987,923 52.923,924 8.825,925 5.069,926 37.905,927 48.031,928 43.96,929 7.593,930 129.482,932 141.253,933 129.878,934 9.734,937 141.253,938 9.734,941 42.361,942 51.256,943 36.26,945 141.253,946 62.657,947 76.955,950 141.253,951 21.177,952 55.778,953 16.663,954 45.994,955 141.253,956 62.657,957 76.955,959 0.568,960 0.336,961 0.189,962 0.091,963 14,964 5,965 0.094,966 3,967 1,968 1.143,969 3.063,970 119.585,971 0.143,972 14,973 69.487,979 10.392,980 4.245,981 1.929,982 2.109,983 45.994,984 9.873,985 8.051,986 2.928,987 5.348,989 2.861,991 16.663,992 280.865,993 26.5,1005 30.051,1006 33.78,1007 0.314,1008 0.733,1009 0.886,1010 0.941,1011 0.941,1012 0.941,1013 4.508,1014 0.682,1015 5.323,1016 1.812,1017 3.97,1018 4.644,1020 6.111,1021 3.94,1022 5.719,1023 0.392,1024 6.86,1025 1.503,1026 3.434,1027 4.407,1029 6.934,1030 3.395,1031 7.025,1032 -0.436,1033 8.496,1034 0.969,1035 5.533,1036 6.93,1038 10.02,1039 5.477,1040 8.377,1041 -0.683,1042 10.191,1043 -0.732,1044 5.889,1045 7.617,1047 11.684,1048 5.822,1049 9.762,1050 -0.916,1051 11.923,1052 -1.79,1053 7.386,1054 9.512,1056 14.233,1057 7.307,1058 11.172,1059 -1.337,1060 13.681,1061 -2.511,1062 8.137,1063 10.612,1065 16.224,1066 8.048,1067 12.598,1068 -1.458,1069 15.455,1070 -3.244,1071 9.391,1072 12.256,1074 18.586,1075 9.293,1076 3.024,1077 -1.605,1078 17.241,1079 -4.145,1080 10.322,1081 13.549,1083 20.717,1084 10.214,1085 2.757,1086 9.634,1087 19.036,1088 -4.688,1089 11.476,1090 15.087,1092 23.008,1093 11.359,1094 2.273,1095 8.706,1096 20.838,1097 4.392,1098 12.491,1099 16.471,1101 25.201,1102 12.365,1103 1.534,1104 6.749,1105 22.644,1106 3.842,1107 13.604,1108 17.966,1110 27.465,1111 13.47,1112 1.471,1113 4.292,1114 24.455,1115 3.007,1116 14.658,1117 19.393,1119 29.687,1120 14.515,1121 1.099,1122 3.808,1123 26.268,1124 2.301,1125 15.756,1126 20.871,1128 31.942,1129 15.605,1130 0.919,1131 2.387,1132 28.084,1133 2.002,1134 16.829,1135 22.32,1137 34.179,1138 16.67,1139 2440,1140 3951,1141 13.118,1142 20.279,1143 28.596,1144 28.234,1145 28.864,1146 28.289,1147 28.304,1148 39.518,1150 79.721,1151 27.846,1152 5.181,1153 5.041,1154 6.075,1155 5.034,1156 5.024,1157 7.392,1159 16.12,1160 4.998,1161 5.16,1162 1.505,1163 1.486,1164 1.519,1165 1.489,1166 1.49,1167 2.08,1169 4.196,1170 1.466,1171 4.116,1172 4.152,1173 4.081,1174 4.013,1175 5.228,1176 4.024,1177 3.86,1178 3.895,1179 3.816,1180 3.688,1181 5.067,1182 3.709,1183 3.51,1184 3.578,1185 3.348,1186 3.342,1187 4.332,1188 3.336,1189 3.255,1190 3.325,1191 3.146,1192 3.071,1193 4.102,1194 3.079,1195 2.941,1196 3.007,1197 2.814,1198 2.809,1199 3.767,1200 2.803,1201 2.779,1202 2.882,1203 2.527,1204 2.521,1205 3.595,1206 2.505,1207 2.285,1208 2.402,1209 2.191,1210 2.063,1211 3.37,1212 2.066,1213 2.265,1214 2.36,1215 2.077,1216 1.956,1217 3.116,1218 1.962,1219 0.235,1220 0.16,1221 0.332,1222 0.211,1223 0.159,1224 4.469,1225 0.231,1226 3.041,1228 6.305,1229 0.507,1230 4.015,1231 0.158,1232 3.024,1233 4.392,1235 9.634,1236 2.998,1237 1.95,1238 1.931,1239 2.029,1240 2.024,1241 1.213,1242 2.026,1243 1.692,1244 1.635,1245 1.937,1246 1.854,1247 1.158,1248 1.885,1249 1.353,1250 1.311,1251 1.55,1252 1.652,1253 0.683,1254 1.602,1255 1.304,1256 1.228,1257 1.464,1258 1.481,1259 0.436,1260 1.501,1261 1.119,1262 1.07,1263 1.31,1264 1.442,1265 0.404,1266 1.376,1267 0.815,1268 0.743,1269 1.095,1270 1.076,1271 0.146,1272 1.085,1273 0.624,1274 0.524,1275 0.972,1276 0.961,1278 0.985,1279 0.548,1280 0.479,1281 0.815,1282 0.814,1284 0.842,1285 3.664,1287 4.963,1288 3.045,1289 6.45,1290 5.283,1291 8.027,1292 7.273,1293 9.653,1295 2.131,1301 2.032,1312 19.413,1313 46.24,1314 107.946,1315 130.452,1316 138.452,1317 138.452,1318 138.452,1319 17.101,1320 6.41,1321 54.71,1322 54.71,1323 16,1324 12.027,1325 4,1326 3.087,1327 23.838,1328 46,1329 52,1330 0.262,1331 120.105,1332 189.63,1333 284.817,1334 4334,1336 11.665,1337 0.686,1338 0.565,1339 11.665,1340 9.604,1341 8.365,1342 0.44,1343 0.303,1344 5.686,1345 8.034,1346 5.548,1347 4.656,1348 8.365,1349 5.757,1350 7.252,1351 0.279,1352 0.158,1353 7.252,1354 4.105,1355 6.276,1356 0.179,1357 0.08,1358 6.276,1359 2.79,1360 5.379,1361 0.117,1362 0.042,1363 5.379,1364 1.918,1365 3.785,1366 0.074,1367 0.022,1368 3.785,1369 1.132,1370 0.401,1371 52.504,1372 0.276,1373 17.133,1374 0.741,1375 90,1376 257.359,1377 98.372,1378 251.066,1379 354.17,1380 236,1381 106,1382 281.122,1383 115.565,1384 280.503,1385 404.56,1386 264,1387 7} {0 CHEMBL1682360,1 1.515,2 9.381,3 3.157,4 9.967,5 82.841,6 7.241,7 0.625,8 3.79,9 3.917,10 3.359,11 3.317,12 4.819,13 3.298,14 4.346,15 4.531,16 3.689,17 3.73,18 5.268,19 3.686,20 4.576,21 4.815,22 3.588,23 3.804,24 5.403,25 3.695,26 4.602,27 4.876,28 3.461,29 3.694,30 5.395,31 3.569,32 4.349,33 4.61,34 3.352,35 3.489,36 5.191,37 3.397,38 4.191,39 4.407,40 3.296,41 3.336,42 5.155,43 3.278,44 4.052,45 4.287,46 3.07,47 3.196,48 4.946,49 3.118,50 3.837,51 4.051,52 2.841,53 3.143,54 4.621,55 3.019,56 0.093,57 0.614,58 8.522,59 3.496,60 8.411,61 4.781,62 0.101,63 1.001,64 16.05,65 5.739,66 11.25,67 8.234,68 0.19,69 1.132,70 21.672,71 7.73,72 19.591,73 11.22,74 0.294,75 1.06,76 23.676,77 7.736,78 24.53,79 11.455,80 0.16,81 0.848,82 17.957,83 5.871,84 18.476,85 8.669,86 0.283,87 0.727,88 15.171,89 4.591,90 22.615,91 6.516,92 0.241,93 0.648,94 13.309,95 3.938,96 18.196,97 5.633,98 0.075,99 0.545,100 9.946,101 3.893,102 8.098,103 5.517,105 33,106 0.269,107 0.623,108 0.768,109 0.83,110 0.83,111 0.83,112 3.103,113 0.937,114 -3.32,115 -3.3,116 -3.16,119 41,121 3,125 3,142 4,143 2,145 1,146 1,152 2,166 1,168 1,172 6,175 6,180 2,183 6,187 1,188 7,193 2,196 4,199 1,200 6,205 1,208 2,213 5,221 2,224 1,225 6,228 1,230 1,233 1,238 1,239 3,242 1,247 2,261 5,265 1,269 1,274 6,278 537,279 14.74,280 14.74,281 14.74,282 14.74,283 14.74,284 13.072,285 10.227,286 8.859,287 14.95,288 11.909,289 11.909,290 11.909,291 11.909,292 11.909,293 9.387,294 13.229,295 4.271,296 12.242,297 3.771,298 1.779,299 0.962,300 0.615,301 0.615,302 0.615,303 3.808,306 1,307 1,308 1,309 446,310 2,313 99.611,314 118.01,317 81.465,321 1.601,322 10.691,323 1,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 45,334 197,335 4.47,336 3.086,337 6.306,338 4.017,339 3.027,340 4.392,341 0.916,342 9.639,343 2.999,344 4.186,345 2.948,346 6.033,347 3.759,348 2.784,349 3.845,350 0.172,351 8.731,352 2.716,353 3.693,354 2.688,355 5.542,356 3.48,357 2.533,358 3.03,360 7.53,361 2.396,362 3.376,363 2.275,364 5.048,365 3.102,366 2.134,367 2.458,369 6.089,370 2.062,371 3.034,372 1.554,373 4.407,374 2.518,375 1.534,376 2.301,378 4.277,379 1.508,380 2.815,381 1.534,382 4.194,383 2.48,384 1.495,385 1.932,387 3.745,388 1.471,389 2.537,390 1.362,391 3.578,392 2.265,393 1.291,394 1.551,396 2.979,397 1.254,398 2.399,399 1.077,400 3.432,401 1.998,402 1.025,403 1.389,405 2.359,406 0.995,407 2.181,408 1.046,409 3.274,410 1.984,411 1,412 1.03,414 2.136,415 0.983,416 2,417 0.709,418 3.247,419 1.686,420 0.698,421 1,423 1.691,424 0.689,425 1.888,426 0.4,427 3.031,428 1.367,429 0.394,430 0.587,432 0.981,433 0.383,434 1.009,435 0.117,436 2.761,437 0.853,438 -0.109,439 -0.119,441 -0.288,442 -0.104,443 0.777,444 -0.625,445 2.466,446 0.342,447 -0.651,448 -0.853,450 -1.743,451 -0.646,452 0.573,453 -0.774,454 2.112,455 0.089,456 -0.897,457 -1,459 -2.251,460 -0.884,461 0.203,462 -0.784,463 1.611,464 0.038,465 -0.946,466 -1.044,468 -2.347,469 -0.93,470 9.933,471 0.473,472 0.376,473 0.018,474 26,475 1.238,476 12,477 0.571,478 14,479 0.667,480 15.749,481 0.75,482 22.467,483 0.576,484 15.426,485 0.735,486 4.958,487 0.236,488 5.424,489 0.258,492 0.292,497 0.659,498 1.202,499 0.776,500 1.062,501 0.554,502 0.957,503 1.011,504 1.205,505 0.925,506 1.048,507 0.729,508 0.976,509 0.884,510 1.041,511 1.022,512 1.1,513 0.745,514 1.081,515 1.05,516 0.905,517 0.917,518 0.899,519 0.942,520 0.899,521 1.072,522 0.956,523 0.844,524 0.911,525 1.16,526 0.855,527 1.683,528 1.061,529 1.099,530 0.985,531 1.593,532 0.985,533 1.721,534 0.853,535 1.18,536 0.859,537 1.55,538 0.945,539 0.88,540 1.172,541 1.158,542 1.239,543 0.997,544 1.249,545 3.5,546 0.04,547 1.778,548 0.917,549 0.769,550 0.348,551 0.321,552 0.122,553 0.056,554 0.078,555 5126,556 11101,557 2.246,558 46.2,559 2,560 10,562 1,563 1,565 4,568 1.626,569 2.211,570 3.236,571 -0.291,572 1,573 1,575 1,578 59.072,579 1.515,580 3.506,581 4.324,582 4.67,583 4.67,584 4.67,585 2.701,586 4.107,587 4.365,588 3.374,589 708.442,590 7.449,591 7553.57,592 1,593 1,594 1,595 1,596 206.131,597 0.863,598 4.366,599 0.146,600 0.004,601 0.054,602 0.033,603 0.032,604 0.016,605 0.016,606 0.008,607 0.004,608 0.006,609 0.319,610 0.83,611 1,613 95.579,614 0.245,615 0.002,616 0.094,617 -0.007,618 0.287,619 0.015,620 -0.099,621 -0.088,622 -0.009,623 -0.044,624 0.084,625 -0.013,626 -0.031,627 -0.054,628 -0.072,629 -0.103,630 0.087,631 -0.094,632 0.015,633 -0.014,634 0.091,635 0.071,636 0.078,637 0.087,638 -0.02,639 -0.03,640 0.155,641 0.059,642 -0.014,643 0.125,644 0.003,645 -0.087,646 -0.068,647 -0.044,648 -0.082,649 -0.068,650 -0.197,651 0.144,652 -0.153,653 0.059,654 -0.212,655 -0.035,656 -0.128,657 -0.181,658 -0.243,659 -0.198,660 -0.254,661 -0.237,662 0.842,663 2.01,664 0.952,665 16.653,666 0.998,667 1.131,668 2.088,669 4.359,670 0.662,671 3.219,672 3.526,673 3.807,674 4.078,675 4.22,676 4.29,677 4.443,678 4.564,679 4.564,680 4.625,681 5.633,682 0.628,683 282.38,684 3.219,685 4.745,686 5.595,687 6.463,688 7.326,689 8.199,690 9.067,691 9.943,692 10.815,693 11.692,694 10.3,697 1,702 1,704 2,708 2,709 5,710 2,711 1,712 1,714 3,716 15,735 39,737 15,738 1,739 24,741 42,742 16,743 10,744 3,745 3,748 4,749 5,757 3,760 3,762 10,763 6,779 1,780 1,783 18,784 4,785 1,786 5,791 1,792 4,796 0.75,797 1,806 1,814 2,815 2,818 1,838 1,842 3,850 21,856 6,862 1,872 2.6,877 1,879 9.5,880 6.933,881 4.556,882 2.549,884 2.947,885 1.414,886 1.031,887 3.396,888 10.066,889 3.481,890 4.086,891 4.707,892 5.328,893 5.748,894 6.168,895 6.642,896 7.084,897 7.271,898 7.579,899 1,900 28,901 7.751,903 3.309,904 7.468,905 15.336,907 12.998,909 1.968,910 41.333,911 0.001,914 200.109,915 76.981,916 56.047,918 9.734,921 76.981,922 209.843,923 56.047,925 13.921,926 37.905,927 48.031,928 47.084,929 7.593,930 188.338,932 200.109,933 133.028,934 9.734,937 153.024,938 56.819,941 45.512,942 51.256,943 36.26,945 200.109,946 65.781,947 76.981,950 200.109,951 30.029,952 50.077,953 16.663,954 45.994,955 200.109,956 65.781,957 76.981,959 0.576,960 0.334,961 0.185,962 0.092,963 18,964 6,965 0.071,966 3,967 1,968 1.1,969 3.562,970 163.624,971 0.1,972 20,973 88.239,979 12.9,980 5.528,981 2.68,982 2.119,983 49.118,984 10,985 8.255,986 2.955,987 5.51,989 2.88,991 16.663,992 342.871,993 31.5,1005 38.92,1006 44.109,1007 0.287,1008 0.663,1009 0.818,1010 0.884,1011 0.884,1012 0.884,1013 4.698,1014 1.025,1015 5.549,1016 2.979,1017 4.205,1018 4.771,1019 0.918,1020 6.319,1021 4.154,1022 5.879,1023 1,1024 7.071,1025 2.359,1026 3.611,1027 4.477,1028 0.325,1029 7.081,1030 3.531,1031 7.17,1032 0.698,1033 8.69,1034 2.136,1035 5.753,1036 6.989,1037 0.671,1038 10.176,1039 5.655,1040 8.501,1041 0.394,1042 10.368,1043 1.691,1044 6.043,1045 7.646,1046 0.393,1047 11.794,1048 5.925,1049 9.869,1050 -0.109,1051 12.084,1052 0.981,1053 7.576,1054 9.537,1055 0.533,1056 14.345,1057 7.442,1058 11.263,1059 -0.651,1060 13.827,1061 -0.288,1062 8.274,1063 10.625,1064 0.384,1065 16.308,1066 8.128,1067 12.676,1068 -0.897,1069 15.588,1070 -1.743,1071 9.55,1072 12.267,1073 0.438,1074 18.667,1075 9.391,1076 3.027,1077 -0.946,1078 17.363,1079 -2.251,1080 10.445,1081 13.555,1082 0.351,1083 20.781,1084 10.278,1085 2.784,1086 9.639,1087 19.147,1088 -2.347,1089 11.609,1090 15.092,1091 0.366,1092 23.067,1093 11.43,1094 2.533,1095 8.731,1096 20.939,1097 4.392,1098 12.6,1099 16.475,1100 0.312,1101 25.25,1102 12.415,1103 2.134,1104 7.53,1105 22.736,1106 3.845,1107 13.716,1108 17.969,1109 0.309,1110 27.509,1111 13.522,1112 1.534,1113 6.089,1114 24.538,1115 3.03,1116 14.755,1117 19.396,1118 0.273,1119 29.725,1120 14.555,1121 1.495,1122 4.277,1123 26.344,1124 2.458,1125 15.852,1126 20.873,1127 0.262,1128 31.976,1129 15.644,1130 1.291,1131 3.745,1132 28.154,1133 2.301,1134 16.915,1135 22.322,1136 0.236,1137 34.209,1138 16.702,1139 4697,1140 7082,1141 16.989,1142 25.807,1143 36.284,1144 35.714,1145 35.705,1146 35.862,1147 35.832,1148 47.029,1149 2.178,1150 100.312,1151 34.908,1152 5.47,1153 5.086,1154 6.108,1155 5.053,1156 5.027,1157 7.392,1158 1.605,1159 16.128,1160 4.999,1162 1.512,1163 1.488,1164 1.488,1165 1.494,1166 1.493,1167 1.96,1168 0.091,1169 4.18,1170 1.454,1171 4.118,1172 4.154,1173 4.082,1174 4.013,1175 5.229,1176 4.024,1177 3.899,1178 3.955,1179 3.834,1180 3.727,1181 5.067,1182 3.739,1183 3.759,1184 3.801,1185 3.652,1186 3.586,1187 4.339,1188 3.598,1189 3.319,1190 3.388,1191 3.229,1192 3.149,1193 4.303,1194 3.16,1195 3.113,1196 3.206,1197 2.959,1198 2.941,1199 3.778,1200 2.91,1201 3.111,1202 3.193,1203 2.866,1204 2.904,1205 3.757,1206 2.904,1207 2.924,1208 2.992,1209 2.8,1210 2.756,1211 3.474,1212 2.761,1213 2.646,1214 2.749,1215 2.414,1216 2.399,1217 3.439,1218 2.384,1219 0.186,1220 0.129,1221 0.263,1222 0.167,1223 0.126,1224 4.47,1225 0.183,1226 3.086,1227 0.038,1228 6.306,1229 0.402,1230 4.017,1231 0.125,1232 3.027,1233 4.392,1234 0.916,1235 9.639,1236 2.999,1237 1.95,1238 1.931,1239 2.057,1240 2.029,1241 1.408,1242 2.039,1243 1.83,1244 1.766,1245 2.025,1246 2.014,1247 1.175,1248 2.021,1249 1.509,1250 1.467,1251 1.683,1252 1.666,1253 0.93,1254 1.671,1255 1.312,1256 1.231,1257 1.513,1258 1.639,1259 0.825,1260 1.595,1261 1.218,1262 1.191,1263 1.466,1264 1.465,1265 0.569,1266 1.429,1267 1.153,1268 1.064,1269 1.375,1270 1.376,1271 0.411,1272 1.413,1273 0.934,1274 0.847,1275 1.216,1276 1.234,1277 0.393,1278 1.232,1279 0.804,1280 0.734,1281 1.075,1282 1.074,1283 0.112,1284 1.084,1285 3.892,1287 5.198,1288 3.045,1289 6.691,1290 5.283,1291 8.265,1292 7.273,1293 9.882,1301 7.165,1307 2.449,1312 24.488,1313 59.072,1314 136.747,1315 168.621,1316 182.131,1317 182.131,1318 182.131,1319 22.128,1320 7.119,1321 57.95,1322 57.95,1323 22,1324 12.231,1325 4,1326 3.087,1327 28.192,1328 71,1329 65,1330 0.195,1331 148.283,1332 240.17,1333 353.571,1334 11728,1336 14.071,1337 0.67,1338 0.566,1339 14.071,1340 11.879,1341 10.382,1342 0.433,1343 0.312,1344 7.395,1345 9.949,1346 7.273,1347 6.012,1348 10.382,1349 7.498,1350 9.203,1351 0.279,1352 0.172,1353 9.203,1354 5.691,1355 7.97,1356 0.181,1357 0.094,1358 7.97,1359 4.118,1360 6.817,1361 0.118,1362 0.051,1363 6.817,1364 2.965,1365 5.099,1366 0.076,1367 0.03,1368 5.099,1369 1.994,1370 0.307,1371 65.222,1372 0.243,1373 21.045,1374 0.53,1375 114,1376 301.004,1377 124.454,1378 292.444,1379 412.31,1380 276,1381 134,1382 323.235,1383 146.257,1384 323.303,1385 468.28,1386 304,1387 6.1} {0 CHEMBL1682540,1 1.487,2 7.222,3 2.054,4 4.218,5 68.032,6 8.714,7 0.952,8 3.479,9 3.597,10 3.204,11 3.059,12 4.673,13 3.077,14 3.939,15 4.084,16 3.565,17 3.452,18 5.108,19 3.457,20 4.059,21 4.242,22 3.451,23 3.47,24 5.149,25 3.429,26 4.022,27 4.249,28 3.221,29 3.317,30 5.034,31 3.255,32 3.764,33 3.993,34 2.998,35 3.07,36 4.736,37 3.007,38 3.585,39 3.783,40 2.999,41 2.95,42 4.706,43 2.923,44 3.547,45 3.77,46 2.772,47 2.825,48 4.564,49 2.761,50 3.293,51 3.551,52 2.41,53 2.5,54 4.288,55 2.408,56 0.053,57 0.478,58 3.804,59 1.885,60 4.56,61 2.114,62 0.145,63 0.754,64 6.777,65 2.999,66 8.936,67 3.373,68 0.102,69 0.786,70 9.074,71 3.953,72 11.069,73 4.834,74 0.168,75 0.728,76 10.491,77 3.776,78 16.383,79 4.688,80 0.107,81 0.553,82 8.33,83 3.15,84 10.132,85 4.103,86 0.118,87 0.494,88 6.02,89 2.325,90 10.034,91 2.872,92 0.126,93 0.457,94 6.262,95 2.341,96 8.773,97 2.956,98 0.104,99 0.333,100 5.727,101 2.102,102 9.017,103 2.904,105 30,106 0.279,107 0.629,108 0.81,109 0.893,110 0.893,111 0.893,112 2.962,113 0.805,114 -2.8,115 -2.81,116 -2.72,119 48.1,142 4,143 2,145 2,146 1,151 2,152 1,162 1,168 1,172 4,174 3,175 4,180 2,183 4,188 5,193 2,196 2,200 8,205 1,213 4,221 1,224 1,225 2,228 1,233 2,238 1,242 1,247 2,252 1,256 1,266 1,271 1,278 316,279 12.671,280 12.671,281 12.671,282 12.671,283 12.671,284 10.46,286 7.46,287 12.957,288 10.414,289 10.414,290 10.414,291 10.414,292 10.414,293 7.102,295 3.573,296 10.897,297 3.268,298 1.407,299 0.444,303 3.667,307 1,308 1,309 299,310 1.732,313 63.585,314 76.941,317 117.108,321 1.136,322 8.541,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 38.5,334 130,335 4.539,336 3.091,337 6.402,338 4.049,339 3.091,340 4.475,342 9.982,343 2.985,344 4.382,345 2.882,346 6.176,347 3.836,348 2.882,349 4.323,351 9.19,352 2.733,353 3.839,354 2.438,355 5.833,356 3.4,357 2.438,358 3.342,360 7.976,361 2.334,362 3.056,363 1.556,364 4.433,365 2.527,366 1.556,367 2.334,369 4.318,370 1.512,371 3.034,372 1.534,373 4.414,374 2.515,375 1.534,376 2.3,378 4.312,379 1.499,380 3.032,381 1.532,382 4.254,383 2.444,384 1.532,385 2.298,387 3.896,388 1.397,389 2.741,390 1.253,391 3.594,392 2.216,393 1.253,394 1.858,396 2.868,397 1.203,398 2.5,399 1,400 3.431,401 1.966,402 1,403 1.5,405 2.336,406 0.963,407 1.896,408 0.402,409 3.034,410 1.372,411 0.402,412 0.599,414 0.995,415 0.389,416 1.847,417 0.347,418 3,419 1.278,420 0.347,421 0.521,423 0.86,424 0.322,425 0.847,426 -0.589,427 2.598,428 0.39,429 -0.589,430 -0.815,432 -1.591,433 -0.574,434 0.667,435 -0.833,436 2.169,437 0.129,438 -0.833,439 -1.25,441 -2.096,442 -0.799,443 0.561,444 -0.93,445 2,446 0.044,447 -0.93,448 -1.383,450 -2.512,451 -0.905,452 0.5,453 -1,454 1.652,455 -0.068,456 -1,457 -1.5,459 -2.625,460 -0.934,461 0.054,462 -1.379,463 1.586,464 -0.43,465 -1.379,466 -1.911,468 -4.031,469 -1.298,470 8.5,471 0.472,472 0.359,473 0.02,474 28.75,475 1.597,476 16,477 0.889,478 12.75,479 0.708,480 8.913,481 0.495,482 17.3,483 0.641,484 16.522,485 0.918,486 5.727,487 0.318,488 3.172,489 0.176,492 0.341,497 0.849,498 1.2,499 0.623,500 0.907,501 0.767,502 0.764,503 0.936,504 0.971,505 0.816,506 0.863,507 0.869,508 0.828,509 0.962,510 1.203,511 1.013,512 1.168,513 0.847,514 1.114,515 1.255,516 0.94,517 1.166,518 0.968,519 1.359,520 1.033,521 0.975,522 1.012,523 0.976,524 1.001,525 0.89,526 0.991,527 0.937,528 0.96,529 0.952,530 0.965,531 0.906,532 0.962,533 0.973,534 0.915,535 1.176,536 1.097,537 1.227,538 1.156,539 0.579,540 0.764,541 0.954,542 1.009,543 0.665,544 1.04,545 3,547 2,548 0.924,549 0.876,550 0.292,551 0.18,552 0.149,553 0.054,555 3145,556 8503,557 2.289,558 33.3,560 4,561 2,562 2,563 1,568 1.585,569 2.25,570 2.924,571 -0.225,575 1,578 40.137,579 1.487,580 3.347,581 4.31,582 4.755,583 4.755,584 4.755,585 2.281,586 3.308,587 4.147,588 3.002,589 459.265,590 7.024,591 4207.15,592 1,593 1,595 1,596 128.382,597 0.918,598 4.142,599 0.143,601 0.067,602 0.036,603 0.044,604 0.018,605 0.011,606 0.012,607 0.007,609 0.337,610 0.83,611 1,613 75.274,614 0.03,615 -0.135,616 0.067,617 -0.053,618 -0.046,619 -0.001,620 0.042,621 0.099,622 -0.063,623 -0.003,624 -0.042,625 -0.041,626 -0.125,627 -0.25,628 -0.128,629 -0.213,630 0.019,631 -0.18,632 -0.274,633 0.004,634 -0.152,635 0.015,636 -0.306,637 -0.033,638 -0.083,639 -0.11,640 0.065,641 0.018,642 0.048,643 0.057,644 0.088,645 0.034,646 -0.016,647 -0.033,648 0.105,649 -0.041,650 0.059,651 0.044,652 -0.165,653 -0.133,654 -0.237,655 -0.177,656 0.379,657 0.11,658 0.197,659 0.048,660 0.415,661 0.081,662 0.959,663 1.495,664 1,665 10.617,666 1.01,667 1.123,668 1.567,669 2.457,670 0.724,671 3.091,672 3.434,673 3.761,674 4.06,675 4.248,676 4.344,677 4.489,678 4.644,679 4.615,680 4.673,681 4.498,682 0.71,683 235.27,684 3.091,685 4.635,686 5.509,687 6.399,688 7.287,689 8.18,690 9.073,691 9.967,692 10.861,693 11.757,694 18.5,702 2,704 3,708 3,709 8,710 3,711 1,714 2,716 20,735 27,737 20,738 1,739 21,741 30,742 13,743 13,744 3,745 3,748 4,749 6,762 13,780 1,783 9,784 3,785 1,786 5,789 1,792 5,796 0.5,806 1,809 1,814 2,815 2,818 2,842 2,850 18,879 8,880 4.967,881 3.833,882 1.538,884 4.042,885 1.579,886 1.111,887 1.915,888 11.018,889 3.466,890 4.182,891 4.896,892 5.577,893 6.113,894 6.54,895 7.049,896 7.575,897 7.849,898 8.313,899 0.8,900 26,901 6.575,903 2.851,904 7.602,905 12.601,907 10.547,909 2.102,910 37.833,911 0.001,914 94.169,915 86.041,916 68.184,921 86.041,922 94.169,923 68.184,926 56,927 73.776,928 45.846,929 25.686,930 47.084,932 94.169,933 154.224,937 94.169,941 40.088,942 63.903,943 50.234,945 94.169,946 68.184,947 86.041,950 94.169,951 11.946,952 75.381,953 16.663,954 50.234,955 94.169,956 68.184,957 86.041,959 0.585,960 0.35,961 0.197,962 0.1,963 18,964 6,965 0.033,966 1,967 2,968 1.222,969 3.202,970 139.116,971 0.222,972 18,973 75.059,979 9.656,980 3.57,981 1.499,982 2.818,983 50.234,984 15.465,985 12.724,986 2.937,989 1.978,991 16.663,992 248.393,993 31,1005 27.276,1006 30.322,1007 0.313,1008 0.704,1009 0.907,1010 1,1011 1,1012 1,1013 4.673,1014 1,1015 5.485,1016 2.868,1017 4.111,1018 4.868,1020 6.304,1021 4.025,1022 5.912,1023 0.402,1024 7.04,1025 2.336,1026 3.611,1027 4.691,1029 7.168,1030 3.483,1031 7.237,1032 0.347,1033 8.694,1034 0.995,1035 5.707,1036 7.227,1038 10.28,1039 5.537,1040 8.605,1041 -0.589,1042 10.407,1043 0.86,1044 6.089,1045 7.956,1047 11.984,1048 5.874,1049 10.006,1050 -0.833,1051 12.157,1052 -1.591,1053 7.6,1054 9.881,1056 14.562,1057 7.349,1058 11.431,1059 -0.93,1060 13.932,1061 -2.096,1062 8.379,1063 11.022,1065 16.592,1066 8.084,1067 12.875,1068 -1,1069 15.724,1070 -2.512,1071 9.651,1072 12.695,1074 18.981,1075 9.321,1076 3.091,1077 -1.379,1078 17.527,1079 -2.625,1080 10.61,1081 14.025,1083 21.147,1084 10.237,1085 2.882,1086 9.982,1087 19.338,1088 -4.031,1089 11.782,1090 15.59,1092 23.465,1093 11.376,1094 2.438,1095 9.19,1096 21.155,1097 4.475,1098 12.822,1099 17.005,1101 25.691,1102 12.375,1103 1.556,1104 7.976,1105 22.977,1106 4.323,1107 13.954,1108 18.524,1110 27.983,1111 13.473,1112 1.534,1113 4.318,1114 24.802,1115 3.342,1116 15.031,1117 19.978,1119 30.237,1120 14.512,1121 1.532,1122 4.312,1123 26.629,1124 2.334,1125 16.149,1126 21.477,1128 32.521,1129 15.595,1130 1.253,1131 3.896,1132 28.459,1133 2.3,1134 17.244,1135 22.949,1137 34.79,1138 16.654,1139 2870,1140 4824,1141 14.909,1142 19.551,1143 32.21,1144 32.07,1145 32,1146 32.06,1147 32.07,1148 47.104,1150 93.466,1151 30.674,1152 5.204,1153 5.091,1154 6.084,1155 5.118,1156 5.091,1157 7.475,1159 16.669,1160 4.985,1162 1.534,1163 1.527,1164 1.524,1165 1.527,1166 1.527,1167 2.243,1169 4.451,1170 1.461,1171 4.153,1172 4.2,1173 4.123,1174 4.031,1175 5.16,1176 4.046,1177 4.009,1178 4.065,1179 3.975,1180 3.829,1181 5.06,1182 3.861,1183 3.446,1184 3.5,1185 3.382,1186 3.309,1187 4.464,1188 3.32,1189 3.172,1190 3.238,1191 3.074,1192 3.014,1193 4.191,1194 3.02,1195 2.923,1196 2.991,1197 2.804,1198 2.777,1199 3.95,1200 2.779,1201 2.807,1202 2.893,1203 2.727,1204 2.559,1205 3.754,1206 2.591,1207 2.373,1208 2.457,1209 2.28,1210 2.165,1211 3.243,1212 2.182,1213 2.265,1214 2.38,1215 2.045,1216 2.031,1217 3.122,1218 2.02,1219 0.216,1220 0.147,1221 0.305,1222 0.193,1223 0.147,1224 4.539,1225 0.213,1226 3.091,1228 6.402,1229 0.475,1230 4.049,1231 0.142,1232 3.091,1233 4.475,1235 9.982,1236 2.985,1237 1.951,1238 1.93,1239 2.028,1240 2.044,1241 1.175,1242 2.031,1243 1.824,1244 1.769,1245 1.919,1246 2.017,1247 0.947,1248 2,1249 1.364,1250 1.319,1251 1.475,1252 1.653,1253 0.537,1254 1.604,1255 1.303,1256 1.228,1257 1.44,1258 1.496,1259 0.406,1260 1.481,1261 0.95,1262 0.885,1263 1.14,1264 1.165,1265 0.208,1266 1.166,1267 0.859,1268 0.788,1269 1.054,1270 1.082,1271 0.024,1272 1.092,1273 0.658,1274 0.579,1275 0.929,1276 0.887,1278 0.91,1279 0.478,1280 0.388,1281 0.827,1282 0.735,1284 0.771,1285 3.761,1287 5.094,1288 3.045,1289 6.621,1290 5.352,1291 8.235,1292 7.413,1293 9.892,1312 19.161,1313 40.137,1314 90.382,1315 116.382,1316 128.382,1317 128.382,1318 128.382,1319 14.483,1320 6.976,1321 58.87,1322 58.87,1323 22,1324 12.282,1325 4.392,1326 3.459,1327 22.733,1328 49,1329 36,1330 0.236,1331 116.45,1332 174.3,1333 275.897,1334 9186,1336 11.949,1337 0.664,1338 0.523,1339 11.949,1340 9.408,1341 8.899,1342 0.424,1343 0.268,1344 5.545,1345 8.538,1346 5.462,1347 4.519,1348 8.899,1349 5.633,1350 8.06,1351 0.269,1352 0.138,1353 8.06,1354 4.125,1355 7.274,1356 0.173,1357 0.071,1358 7.274,1359 2.971,1360 6.331,1361 0.111,1362 0.036,1363 6.331,1364 2.071,1365 4.946,1366 0.072,1367 0.019,1368 4.946,1369 1.327,1370 0.358,1371 55.785,1372 0.259,1373 17.872,1374 0.679,1375 102,1376 284.913,1377 111.464,1378 283.847,1379 406.01,1380 268,1381 123,1382 320.902,1383 133.769,1384 325.686,1385 477.12,1386 307,1387 6} {0 CHEMBL1682545,1 1.559,2 9.381,3 3.968,4 15.745,5 85.95,6 8.86,7 0.875,8 3.639,9 3.748,10 3.425,11 3.322,12 4.795,13 3.278,14 4.083,15 4.207,16 3.783,17 3.684,18 5.204,19 3.628,20 4.238,21 4.426,22 3.621,23 3.679,24 5.26,25 3.582,26 4.22,27 4.441,28 3.588,29 3.609,30 5.193,31 3.478,32 4.044,33 4.251,34 3.516,35 3.503,36 5.006,37 3.35,38 3.852,39 4.025,40 3.399,41 3.356,42 4.918,43 3.232,44 3.767,45 3.966,46 3.18,47 3.18,48 4.732,49 3.068,50 3.593,51 3.792,52 2.803,53 3.03,54 4.556,55 2.913,56 0.045,57 0.512,58 5.179,59 2.614,60 5.595,61 2.984,62 0.074,63 0.815,64 10.159,65 4.368,66 7.975,67 5.001,68 0.08,69 0.912,70 13.163,71 5.61,72 13.855,73 6.681,74 0.121,75 0.908,76 14.705,77 5.862,78 17.113,79 6.916,80 0.104,81 0.781,82 17.168,83 6.12,84 12.987,85 6.481,86 0.122,87 0.671,88 12.011,89 4.416,90 11.98,91 4.506,92 0.098,93 0.593,94 11.259,95 3.84,96 8.804,97 4.298,98 0.079,99 0.455,100 7.291,101 3.215,102 7.421,103 4.173,105 33,106 0.281,107 0.587,108 0.742,109 0.852,110 0.867,111 0.867,112 3.103,113 0.934,114 -4.41,115 -4.34,116 -4.09,119 48.5,142 8,143 2,144 1,145 1,146 1,151 1,152 1,162 1,168 1,172 8,175 3,178 1,180 5,183 8,188 4,193 4,196 5,200 6,205 3,208 4,213 2,218 2,221 4,224 1,225 1,228 1,230 2,233 3,239 1,244 1,247 6,256 1,257 1,261 9,274 6,278 537,279 14.74,280 14.74,281 14.74,282 14.74,283 14.74,284 12.321,285 9.487,286 8.859,287 15.118,288 11.909,289 11.909,290 11.909,291 11.909,292 11.909,293 8.36,294 17.5,295 4.271,296 12.549,297 3.485,298 1.795,299 0.932,300 0.326,301 0.242,302 0.242,303 3.808,306 1,307 1,308 1,309 446,310 2,313 99.611,314 118.01,317 81.465,321 1.601,322 8.526,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 44,334 197,335 4.47,336 3.043,337 6.306,338 4.001,339 3.027,340 4.392,341 0.4,342 9.639,343 2.958,344 4.197,345 2.859,346 6.033,347 3.717,348 2.784,349 3.856,351 8.731,352 2.608,353 3.906,354 2.608,355 5.542,356 3.504,357 2.533,358 3.446,360 7.53,361 2.456,362 3.551,363 2.181,364 5.048,365 3.046,366 2.134,367 2.97,369 6.089,370 1.913,371 3.034,372 1.542,373 4.407,374 2.518,375 1.534,376 2.301,378 4.277,379 1.507,380 2.936,381 1.533,382 4.194,383 2.469,384 1.495,385 2.118,387 3.745,388 1.452,389 2.751,390 1.32,391 3.578,392 2.247,393 1.291,394 1.863,396 2.979,397 1.223,398 2.512,399 1.035,400 3.432,401 2,402 1.025,403 1.518,405 2.359,406 1,407 2.5,408 1,409 3.274,410 1.985,411 1,412 1.5,414 2.136,415 0.979,416 2.186,417 0.703,418 3.247,419 1.507,420 0.698,421 1.034,423 1.691,424 0.552,425 1.889,426 0.397,427 3.031,428 1.35,429 0.394,430 0.588,432 0.981,433 0.377,434 1.18,435 0.038,436 2.761,437 0.826,438 -0.109,439 -0.136,441 -0.288,442 -0.101,443 0.79,444 -0.637,445 2.466,446 0.33,447 -0.651,448 -0.897,450 -1.743,451 -0.631,452 0.578,453 -0.83,454 2.112,455 0.077,456 -0.897,457 -1.241,459 -2.251,460 -0.869,461 0.5,462 -0.923,463 1.611,464 0.019,465 -0.946,466 -1.368,468 -2.347,469 -0.91,470 10.433,471 0.497,472 0.376,473 0.018,474 32,475 1.524,476 18.5,477 0.881,478 13.5,479 0.643,480 12.433,481 0.592,482 20.167,483 0.611,484 18.742,485 0.892,486 6.263,487 0.298,488 4.119,489 0.196,492 0.288,497 0.879,498 0.903,499 0.685,500 0.715,501 0.869,502 0.708,503 0.82,504 1.209,505 0.898,506 1.086,507 0.859,508 0.965,509 1.094,510 1.127,511 0.948,512 1.013,513 0.978,514 1.079,515 1.225,516 0.947,517 0.94,518 0.864,519 1.202,520 0.954,521 1.125,522 1.006,523 1.489,524 1.214,525 0.962,526 0.923,527 1.159,528 0.995,529 1.535,530 1.263,531 1.045,532 1.053,533 1.121,534 1.137,535 1.268,536 1.254,537 1.105,538 1.066,539 0.368,540 0.77,541 0.919,542 1.038,543 0.674,544 1.154,545 3.5,546 0.04,547 1.778,548 0.917,549 0.769,550 0.348,551 0.321,552 0.122,553 0.056,554 0.078,555 5126,556 13564,557 2.246,558 36.4,560 8,561 1,562 1,563 2,568 1.626,569 2.211,570 3.236,571 0.331,573 1,578 51.445,579 1.559,580 3.25,581 4.112,582 4.718,583 4.802,584 4.802,585 2.701,586 4.107,587 4.365,588 3.374,589 708.442,590 7.449,591 7553.57,593 1,594 1,595 1,596 166.465,597 0.863,598 4.366,599 0.146,600 0.004,601 0.054,602 0.033,603 0.032,604 0.016,605 0.016,606 0.008,607 0.004,608 0.006,609 0.319,610 0.5,611 1,613 95.579,614 0.039,615 0.116,616 0.054,617 0.103,618 -0.088,619 0.069,620 0.102,621 -0.203,622 -0.037,623 -0.195,624 -0.018,625 -0.14,626 -0.142,627 -0.166,628 -0.106,629 -0.126,630 -0.068,631 -0.156,632 -0.165,633 0.038,634 0.066,635 0.121,636 -0.137,637 0.036,638 -0.107,639 0.018,640 -0.03,641 0.065,642 0.082,643 0.137,644 0.004,645 0.092,646 -0.217,647 -0.098,648 0.009,649 -0.115,650 -0.075,651 -0.13,652 -0.103,653 -0.172,654 -0.132,655 -0.08,656 0.316,657 0.1,658 -0.139,659 -0.154,660 0.09,661 -0.163,662 0.775,663 1.644,664 0.952,665 16.653,666 1.001,667 1.108,668 3.179,669 10.103,670 0.749,671 3.219,672 3.526,673 3.807,674 4.078,675 4.22,676 4.29,677 4.443,678 4.564,679 4.564,680 4.625,681 5.633,682 0.708,683 292.39,684 3.219,685 4.745,686 5.595,687 6.463,688 7.326,689 8.199,690 9.067,691 9.943,692 10.815,693 11.692,694 12.1,702 2,704 2,708 2,709 10,710 2,711 1,713 1,714 4,716 21,728 1,735 33,737 21,738 2,739 24,741 36,742 16,743 16,744 4,745 8,748 4,749 5,762 16,780 1,783 12,784 3,785 2,786 5,787 1,792 4,796 0.75,806 1,814 2,815 2,818 1,842 3,844 1,850 21,858 1,866 1,879 9.5,880 5.9,881 4.556,882 1.849,884 3.946,885 1.554,886 1.08,887 3.164,888 11.065,889 3.57,890 4.22,891 4.856,892 5.483,893 5.935,894 6.278,895 6.767,896 7.231,897 7.47,898 7.832,899 1,900 28,901 7.691,903 3.272,904 7.54,905 14.877,907 12.314,909 2.04,910 42.833,911 0.001,914 117.711,915 137.701,916 68.122,920 31.278,921 106.423,922 117.711,923 68.122,926 83.459,927 45.22,928 55.494,929 13.915,930 125.447,932 117.711,933 174.546,935 31.278,937 117.711,941 46.979,942 94.118,943 33.449,944 31.278,945 117.711,946 68.122,947 137.701,950 117.711,951 45.195,952 92.506,953 34.674,954 33.449,955 117.711,956 68.122,957 137.701,959 0.576,960 0.334,961 0.185,962 0.092,963 18,964 6,965 0.083,966 3,967 1,968 1.1,969 3.562,970 163.624,971 0.1,972 20,973 88.239,975 1,979 12.539,980 5.299,981 2.545,982 2.134,983 51.459,984 20.132,985 8.686,986 2.956,988 1.601,989 4.009,991 34.674,992 323.534,993 34.5,1005 33.018,1006 36.574,1007 0.309,1008 0.644,1009 0.815,1010 0.935,1011 0.952,1012 0.952,1013 4.764,1014 1.025,1015 5.549,1016 2.979,1017 4.205,1018 4.905,1019 0.278,1020 6.319,1021 4.11,1022 5.973,1023 1,1024 7.071,1025 2.359,1026 3.611,1027 4.559,1029 7.081,1030 3.484,1031 7.27,1032 0.698,1033 8.69,1034 2.136,1035 5.753,1036 7.157,1037 0.05,1038 10.176,1039 5.58,1040 8.607,1041 0.394,1042 10.368,1043 1.691,1044 6.043,1045 7.729,1047 11.794,1048 5.833,1049 9.976,1050 -0.109,1051 12.084,1052 0.981,1053 7.576,1054 9.687,1055 0.008,1056 14.345,1057 7.338,1058 11.369,1059 -0.651,1060 13.827,1061 -0.288,1062 8.274,1063 10.699,1065 16.308,1066 8.002,1067 12.78,1068 -0.897,1069 15.588,1070 -1.743,1071 9.55,1072 12.381,1073 0.001,1074 18.667,1075 9.256,1076 3.027,1077 -0.946,1078 17.363,1079 -2.251,1080 10.445,1081 13.615,1083 20.781,1084 10.119,1085 2.784,1086 9.639,1087 19.147,1088 -2.347,1089 11.609,1090 15.173,1092 23.067,1093 11.262,1094 2.533,1095 8.731,1096 20.939,1097 4.392,1098 12.6,1099 16.521,1101 25.25,1102 12.225,1103 2.134,1104 7.53,1105 22.736,1106 3.856,1107 13.716,1108 18.023,1110 27.509,1111 13.321,1112 1.534,1113 6.089,1114 24.538,1115 3.446,1116 14.755,1117 19.429,1119 29.725,1120 14.335,1121 1.495,1122 4.277,1123 26.344,1124 2.97,1125 15.852,1126 20.91,1128 31.976,1129 15.412,1130 1.291,1131 3.745,1132 28.154,1133 2.301,1134 16.915,1135 22.346,1137 34.209,1138 16.453,1139 4697,1140 7767,1141 16.989,1142 24.716,1143 36.24,1144 35.718,1145 35.705,1146 35.784,1147 35.832,1148 51.174,1149 0.8,1150 100.312,1151 34.047,1152 5.231,1153 5.043,1154 6.108,1155 5.113,1156 5.027,1157 7.392,1158 0.8,1159 16.128,1160 4.958,1162 1.51,1163 1.488,1164 1.488,1165 1.491,1166 1.493,1167 2.132,1168 0.033,1169 4.18,1170 1.419,1171 4.113,1172 4.15,1173 4.241,1174 4.03,1175 5.104,1176 4.028,1177 3.914,1178 3.951,1179 4.017,1180 3.842,1181 4.878,1182 3.831,1183 3.743,1184 3.77,1185 3.795,1186 3.716,1187 4.712,1188 3.658,1189 3.283,1190 3.345,1191 3.284,1192 3.139,1193 4.298,1194 3.134,1195 2.992,1196 3.062,1197 2.888,1198 2.848,1199 3.875,1200 2.847,1201 2.902,1202 2.97,1203 2.829,1204 2.769,1205 3.744,1206 2.755,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.453,1214 2.545,1215 2.48,1216 2.262,1217 3.325,1218 2.262,1219 0.186,1220 0.127,1221 0.263,1222 0.167,1223 0.126,1224 4.47,1225 0.183,1226 3.043,1227 0.017,1228 6.306,1229 0.402,1230 4.001,1231 0.123,1232 3.027,1233 4.392,1234 0.4,1235 9.639,1236 2.958,1237 1.949,1238 1.929,1239 2.026,1240 2.022,1241 1.173,1242 2.025,1243 1.886,1244 1.855,1245 2.008,1246 1.981,1247 1.063,1248 1.993,1249 1.356,1250 1.343,1251 1.469,1252 1.65,1253 0.598,1254 1.601,1255 1.303,1256 1.245,1257 1.405,1258 1.486,1259 0.415,1260 1.462,1261 1.276,1262 1.226,1263 1.28,1264 1.369,1265 0.402,1266 1.425,1267 0.886,1268 0.821,1269 1.181,1270 1.068,1271 0.218,1272 1.107,1273 0.876,1274 0.819,1275 1.091,1276 1.062,1277 0.165,1278 1.099,1279 0.781,1280 0.718,1281 0.941,1282 0.929,1283 0.024,1284 0.979,1285 3.892,1287 5.198,1288 3.045,1289 6.691,1290 5.283,1291 8.265,1292 7.273,1293 9.882,1303 3.315,1312 23.38,1313 51.445,1314 107.246,1315 135.71,1316 155.71,1317 158.465,1318 158.465,1319 19.2,1320 7.119,1321 53.6,1322 81.84,1323 22,1324 12.231,1325 4.459,1326 3.524,1327 28.192,1328 71,1329 65,1330 0.195,1331 146.636,1332 231.07,1333 349.551,1334 11728,1336 14.071,1337 0.67,1338 0.566,1339 14.424,1340 11.893,1341 10.382,1342 0.433,1343 0.311,1344 6.609,1345 9.668,1346 6.397,1347 5.317,1348 10.836,1349 7.475,1350 9.203,1351 0.279,1352 0.168,1353 9.78,1354 5.559,1355 7.97,1356 0.181,1357 0.091,1358 8.61,1359 4.023,1360 6.817,1361 0.118,1362 0.051,1363 7.562,1364 2.951,1365 5.099,1366 0.076,1367 0.028,1368 5.697,1369 1.86,1370 0.307,1371 68.605,1372 0.243,1373 21.045,1374 0.53,1375 114,1376 298.816,1377 144.666,1378 322.257,1379 455.66,1380 304,1381 134,1382 336.57,1383 160.395,1384 358.89,1385 521.68,1386 338,1387 5.9} {0 CHEMBL1682546,1 1.537,2 10.182,3 3.81,4 14.517,5 92.27,6 8.512,7 0.84,8 3.712,9 3.826,10 3.463,11 3.384,12 4.837,13 3.334,14 4.176,15 4.316,16 3.81,17 3.751,18 5.252,19 3.685,20 4.337,21 4.531,22 3.658,23 3.763,24 5.312,25 3.651,26 4.353,27 4.586,28 3.569,29 3.685,30 5.276,31 3.538,32 4.177,33 4.409,34 3.526,35 3.555,36 5.077,37 3.396,38 3.987,39 4.187,40 3.521,41 3.451,42 5.01,43 3.316,44 3.903,45 4.091,46 3.348,47 3.339,48 4.871,49 3.206,50 3.783,51 4.009,52 2.887,53 3.158,54 4.661,55 3.019,56 0.05,57 0.554,58 6.265,59 2.994,60 6.61,61 3.592,62 0.103,63 0.896,64 12.454,65 4.993,66 10.423,67 6.02,68 0.073,69 0.987,70 15.435,71 6.57,72 15.491,73 8.28,74 0.154,75 1.031,76 19.304,77 7.043,78 20.638,79 8.416,80 0.099,81 0.858,82 17.698,83 6.615,84 14.868,85 7.844,86 0.15,87 0.766,88 15.231,89 5.298,90 15.191,91 5.683,92 0.11,93 0.692,94 13.927,95 4.594,96 11.109,97 5.055,98 0.107,99 0.552,100 10.856,101 4.286,102 9.587,103 5.474,105 34,106 0.273,107 0.616,108 0.757,109 0.855,110 0.869,111 0.869,112 3.146,113 0.952,114 -4.38,115 -4.32,116 -4.07,119 47.2,125 1,142 8,143 3,145 1,146 1,151 1,152 1,162 1,168 1,172 10,175 3,178 1,180 4,183 10,188 4,193 4,196 6,200 5,205 4,208 3,213 2,218 3,221 4,224 1,225 2,228 1,230 2,233 3,239 2,244 1,247 5,256 1,257 1,261 8,274 9,278 620,279 15.447,280 15.447,281 15.447,282 15.447,283 15.447,284 13.028,285 9.712,286 9.307,287 15.824,288 12.392,289 12.392,290 12.392,291 12.392,292 12.392,293 8.817,294 15.848,295 4.476,296 13.025,297 3.633,298 1.701,299 0.91,300 0.354,301 0.278,302 0.278,303 3.851,306 1,307 1,308 1,309 505,310 2.236,313 108.456,314 129.276,317 88.391,321 1.727,322 9.321,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 46,334 224,335 4.47,336 3.038,337 6.305,338 3.999,339 3.025,340 4.392,341 0.657,342 9.635,343 2.957,344 4.182,345 2.849,346 6.029,347 3.699,348 2.763,349 3.843,351 8.708,352 2.599,353 3.898,354 2.697,355 5.398,356 3.517,357 2.526,358 3.444,360 7.099,361 2.504,362 3.602,363 2.322,364 5.228,365 3.137,366 2.234,367 3.002,369 6.599,370 1.981,371 3.034,372 1.636,373 4.413,374 2.52,375 1.538,376 2.301,378 4.291,379 1.51,380 2.946,381 1.534,382 4.213,383 2.514,384 1.533,385 2.12,387 3.811,388 1.502,389 2.817,390 1.421,391 3.629,392 2.33,393 1.37,394 1.951,396 3.113,397 1.305,398 2.528,399 1.064,400 3.435,401 2.006,402 1.048,403 1.542,405 2.376,406 1,407 2.5,408 1,409 3.281,410 2,411 1,412 1.5,414 2.136,415 0.999,416 2.194,417 0.776,418 3.247,419 1.549,420 0.722,421 1.05,423 1.74,424 0.582,425 1.894,426 0.642,427 3.069,428 1.426,429 0.519,430 0.65,432 1.24,433 0.468,434 1.747,435 0.39,436 3,437 1.341,438 0.383,439 0.556,441 0.953,442 0.366,443 0.825,444 -0.288,445 2.521,446 0.455,447 -0.516,448 -0.642,450 -1.243,451 -0.499,452 0.753,453 -0.656,454 2.199,455 0.304,456 -0.676,457 -0.936,459 -1.785,460 -0.654,461 0.573,462 -0.908,463 2.073,464 0.065,465 -0.914,466 -1.346,468 -2.347,469 -0.89,470 10.933,471 0.497,472 0.376,473 0.017,474 32.5,475 1.477,476 18.5,477 0.841,478 14,479 0.636,480 13.76,481 0.625,482 21.467,483 0.596,484 19.262,485 0.876,486 6.394,487 0.291,488 4.488,489 0.204,492 0.274,497 0.87,498 0.932,499 0.703,500 0.75,501 0.848,502 0.749,503 0.914,504 1.131,505 0.916,506 1.037,507 0.925,508 0.948,509 0.919,510 1.166,511 0.926,512 1.061,513 0.895,514 1.115,515 1.32,516 1.001,517 1.145,518 1.016,519 1.314,520 1.033,521 0.962,522 1.026,523 1.113,524 1.042,525 0.824,526 0.926,527 1.215,528 0.92,529 1.432,530 1.114,531 0.958,532 0.876,533 1.28,534 1.244,535 1.535,536 1.418,537 1.264,538 1.143,539 0.493,540 0.751,541 1.058,542 1.062,543 0.659,544 1.07,545 3.5,546 0.062,547 2,548 0.667,549 0.894,550 0.382,551 0.201,552 0.212,553 0.076,554 0.045,555 6023,556 15407,557 2.234,558 38.9,560 10,561 1,562 1,563 2,568 1.638,569 2.2,570 3.339,571 0.304,573 1,575 1,578 55.327,579 1.537,580 3.469,581 4.26,582 4.816,583 4.892,584 4.892,585 2.777,586 4.278,587 4.431,588 3.495,589 807.332,590 7.575,591 9097.63,593 1,594 1,595 1,596 186.117,597 0.845,598 4.433,599 0.14,600 0.005,601 0.059,602 0.023,603 0.037,604 0.017,605 0.009,606 0.012,607 0.005,608 0.003,609 0.311,610 0.17,611 1,613 102.821,614 0.058,615 0.105,616 0.06,617 0.094,618 -0.038,619 0.064,620 0.056,621 -0.102,622 -0.032,623 -0.126,624 -0.049,625 -0.09,626 -0.057,627 -0.224,628 -0.083,629 -0.159,630 -0.011,631 -0.172,632 -0.213,633 -0.002,634 -0.084,635 -0.004,636 -0.229,637 -0.047,638 0.01,639 -0.052,640 0.12,641 0.096,642 0.155,643 0.12,644 0.053,645 0.188,646 -0.017,647 0.102,648 0.169,649 0.099,650 -0.142,651 -0.178,652 -0.197,653 -0.242,654 -0.233,655 -0.177,656 0.253,657 0.149,658 -0.123,659 -0.083,660 0.152,661 -0.044,662 0.73,663 1.664,664 0.909,665 18.942,666 0.997,667 1.111,668 3.154,669 9.946,670 0.735,671 3.258,672 3.555,673 3.829,674 4.078,675 4.22,676 4.277,677 4.407,678 4.543,679 4.554,680 4.585,681 6.098,682 0.692,683 306.42,684 3.258,685 4.779,686 5.624,687 6.485,688 7.343,689 8.208,690 9.072,691 9.941,692 10.809,693 11.68,694 11.1,699 1,702 1,704 2,708 2,709 10,710 2,711 1,713 1,714 4,716 21,728 1,735 36,737 21,738 2,739 25,741 39,742 17,743 16,744 4,745 8,748 4,749 5,762 16,763 1,780 1,783 14,784 3,785 2,786 5,787 1,792 4,796 0.75,806 1,814 2,815 2,818 1,842 3,844 1,850 22,856 1,858 1,866 1,879 10,880 6.4,881 4.806,882 2.036,884 3.907,885 1.544,886 1.067,887 3.608,888 11.087,889 3.597,890 4.234,891 4.864,892 5.471,893 5.91,894 6.231,895 6.69,896 7.151,897 7.375,898 7.692,899 0.857,900 29,901 8.072,903 3.414,904 7.515,905 15.693,907 12.973,909 2.015,910 44.333,911 0.001,914 141.253,915 140.236,916 68.122,920 31.278,921 108.958,922 141.253,923 68.122,925 2.106,926 83.459,927 63.23,928 37.912,929 13.915,930 148.989,932 141.253,933 177.08,935 31.278,937 141.253,941 31.074,942 94.547,943 51.459,944 31.278,945 141.253,946 68.122,947 140.236,950 141.253,951 47.729,952 92.506,953 34.674,954 33.449,955 141.253,956 68.122,957 140.236,959 0.574,960 0.333,961 0.18,962 0.089,963 18,964 6,965 0.103,966 4,967 1,968 1.1,969 3.694,970 171.207,971 0.1,972 20,973 91.353,975 1,979 13.467,980 5.894,981 2.908,982 2.144,983 51.459,984 20.447,985 8.713,986 2.962,988 1.625,989 4.284,991 34.674,992 349.611,993 35.5,1005 35.902,1006 39.989,1007 0.297,1008 0.671,1009 0.824,1010 0.931,1011 0.946,1012 0.946,1013 4.79,1014 1.048,1015 5.572,1016 3.113,1017 4.234,1018 4.92,1019 0.623,1020 6.33,1021 4.146,1022 5.991,1023 1,1024 7.088,1025 2.376,1026 3.611,1027 4.559,1029 7.081,1030 3.503,1031 7.283,1032 0.722,1033 8.701,1034 2.136,1035 5.771,1036 7.161,1037 0.317,1038 10.164,1039 5.613,1040 8.616,1041 0.519,1042 10.374,1043 1.74,1044 6.043,1045 7.729,1047 11.781,1048 5.858,1049 9.982,1050 0.383,1051 12.086,1052 1.24,1053 7.583,1054 9.687,1055 0.149,1056 14.322,1057 7.368,1058 11.373,1059 -0.516,1060 13.825,1061 0.953,1062 8.267,1063 10.696,1065 16.286,1066 8.025,1067 12.781,1068 -0.676,1069 15.583,1070 -1.243,1071 9.546,1072 12.377,1073 0.067,1074 18.639,1075 9.281,1076 3.025,1077 -0.914,1078 17.355,1079 -1.785,1080 10.43,1081 13.611,1083 20.755,1084 10.14,1085 2.763,1086 9.635,1087 19.137,1088 -2.347,1089 11.594,1090 15.168,1091 0.03,1092 23.039,1093 11.283,1094 2.526,1095 8.708,1096 20.926,1097 4.392,1098 12.579,1099 16.515,1101 25.224,1102 12.243,1103 2.234,1104 7.099,1105 22.722,1106 3.843,1107 13.694,1108 18.017,1109 0.013,1110 27.483,1111 13.338,1112 1.538,1113 6.599,1114 24.523,1115 3.444,1116 14.728,1117 19.423,1119 29.701,1120 14.349,1121 1.533,1122 4.291,1123 26.328,1124 3.002,1125 15.824,1126 20.904,1127 0.006,1128 31.952,1129 15.425,1130 1.37,1131 3.811,1132 28.137,1133 2.301,1134 16.885,1135 22.34,1137 34.187,1138 16.464,1139 5521,1140 8961,1141 17.682,1142 26.478,1143 37.545,1144 37.32,1145 37.213,1146 37.228,1147 37.318,1148 52.703,1149 1.315,1150 103.403,1151 35.547,1152 5.297,1153 5.038,1154 6.107,1155 5.109,1156 5.025,1157 7.392,1158 1.315,1159 16.12,1160 4.957,1162 1.502,1163 1.493,1164 1.489,1165 1.489,1166 1.493,1167 2.108,1168 0.053,1169 4.136,1170 1.422,1171 4.112,1172 4.15,1173 4.238,1174 4.029,1175 5.104,1176 4.028,1177 3.92,1178 3.956,1179 4.017,1180 3.855,1181 4.85,1182 3.846,1183 3.774,1184 3.802,1185 3.824,1186 3.742,1187 4.736,1188 3.681,1189 3.332,1190 3.405,1191 3.29,1192 3.162,1193 4.309,1194 3.166,1195 3.171,1196 3.237,1197 3.094,1198 3.037,1199 3.974,1200 3.019,1201 2.927,1202 2.99,1203 2.835,1204 2.813,1205 3.752,1206 2.797,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.655,1214 2.74,1215 2.521,1216 2.458,1217 3.479,1218 2.461,1219 0.179,1220 0.122,1221 0.252,1222 0.16,1223 0.121,1224 4.47,1225 0.176,1226 3.038,1227 0.026,1228 6.305,1229 0.385,1230 3.999,1231 0.118,1232 3.025,1233 4.392,1234 0.657,1235 9.635,1236 2.957,1237 1.949,1238 1.929,1239 2.04,1240 2.022,1241 1.173,1242 2.025,1243 1.91,1244 1.879,1245 2.024,1246 1.997,1247 1.152,1248 2.013,1249 1.396,1250 1.368,1251 1.56,1252 1.654,1253 0.711,1254 1.618,1255 1.355,1256 1.31,1257 1.468,1258 1.606,1259 0.584,1260 1.595,1261 1.301,1262 1.228,1263 1.393,1264 1.415,1265 0.407,1266 1.435,1267 1.028,1268 0.997,1269 1.181,1270 1.113,1271 0.294,1272 1.179,1273 0.886,1274 0.821,1275 1.091,1276 1.068,1277 0.218,1278 1.107,1279 0.843,1280 0.768,1281 1.047,1282 1.062,1283 0.071,1284 1.088,1285 3.932,1287 5.231,1288 3.045,1289 6.715,1290 5.283,1291 8.281,1292 7.273,1293 9.889,1301 0.786,1303 3.372,1312 24.907,1313 55.327,1314 124.898,1315 153.362,1316 173.362,1317 176.117,1318 176.117,1319 21.174,1320 7.18,1321 53.6,1322 81.84,1323 22,1324 12.223,1325 4.459,1326 3.524,1327 30.157,1328 81,1329 74,1330 0.182,1331 156.228,1332 248.37,1333 372.957,1334 13094,1336 14.778,1337 0.672,1338 0.573,1339 15.131,1340 12.6,1341 10.882,1342 0.435,1343 0.317,1344 7.062,1345 10.165,1346 6.833,1347 5.678,1348 11.336,1349 7.932,1350 9.545,1351 0.281,1352 0.174,1353 10.122,1354 5.907,1355 8.287,1356 0.184,1357 0.096,1358 8.945,1359 4.327,1360 6.918,1361 0.119,1362 0.053,1363 7.617,1364 3.082,1365 5.195,1366 0.078,1367 0.029,1368 5.758,1369 1.971,1370 0.29,1371 71.651,1372 0.238,1373 22.127,1374 0.484,1375 118,1376 302.816,1377 148.333,1378 326.119,1379 459.66,1380 308,1381 138,1382 336.006,1383 164.228,1384 359.15,1385 521.42,1386 338,1387 5.9} {0 CHEMBL1682552,1 1.433,2 8.56,3 3.845,4 14.786,5 98.492,6 7.388,7 0.69,8 3.937,9 4.073,10 3.523,11 3.484,12 4.964,13 3.467,14 4.492,15 4.673,16 3.895,17 3.918,18 5.454,19 3.871,20 4.761,21 5.008,22 3.879,23 4.008,24 5.624,25 3.918,26 4.755,27 5.026,28 3.781,29 3.931,30 5.593,31 3.836,32 4.598,33 4.843,34 3.776,35 3.868,36 5.468,37 3.801,38 4.617,39 4.825,40 3.863,41 3.969,42 5.565,43 3.902,44 4.731,45 4.961,46 3.775,47 4.015,48 5.622,49 3.9,50 4.706,51 4.978,52 3.476,53 3.883,54 5.499,55 3.714,56 0.058,57 0.753,58 9.421,59 3.73,60 8.312,61 5.207,62 0.186,63 1.238,64 17.761,65 6.708,66 15.754,67 9.522,68 0.201,69 1.451,70 25.75,71 8.831,72 24.559,73 13.185,74 0.282,75 1.398,76 26.674,77 8.269,78 29.007,79 12.639,80 0.215,81 1.256,82 21.919,83 6.834,84 21.699,85 10.334,86 0.226,87 1.341,88 21.054,89 7.213,90 22.978,91 10.493,92 0.282,93 1.421,94 24.346,95 8.877,96 26.802,97 12.831,98 0.238,99 1.264,100 25.212,101 9.285,102 28.657,103 13.657,105 41,106 0.244,107 0.619,108 0.745,109 0.83,110 0.85,111 0.85,112 3.269,113 0.922,114 -4.18,115 -4.12,116 -3.9,119 42.2,121 5,127 1,142 4,143 2,145 2,146 1,151 1,152 1,153 1,162 1,168 1,172 8,174 3,175 4,178 1,180 4,183 8,188 5,191 1,193 5,196 4,200 10,203 1,205 5,213 8,218 2,221 3,224 1,225 7,228 1,233 10,238 1,239 3,242 2,243 1,247 13,252 1,253 1,256 1,261 7,266 3,271 3,274 2,278 908,279 17.654,280 17.654,281 17.654,282 17.654,283 17.654,284 15.423,285 9.487,286 10.544,287 17.989,288 14.391,289 14.391,290 14.391,291 14.391,292 14.391,293 11.011,294 17.5,295 5.063,296 14.975,297 4.059,298 1.851,299 1.111,300 0.611,301 0.489,302 0.489,303 3.988,306 1,307 1,308 1,309 488,310 2.236,313 94.047,314 176.466,317 171.152,321 1.258,322 12.916,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 53,334 214,335 4.681,336 3.31,337 6.866,338 4.206,339 3.265,340 4.621,341 0.4,342 11.5,343 3.089,344 4.407,345 2.922,346 6.22,347 3.889,348 2.916,349 4.349,351 9.323,352 2.825,353 3.854,354 2.614,355 5.916,356 3.473,357 2.507,358 3.373,360 8.164,361 2.427,362 3.557,363 2.439,364 5.437,365 3.4,366 2.436,367 2.744,369 7.182,370 2.334,371 3.235,372 1.935,373 5.04,374 2.82,375 1.877,376 2.392,378 5.639,379 1.768,380 3.047,381 1.548,382 4.513,383 2.518,384 1.548,385 2.32,387 4.366,388 1.507,389 3.034,390 1.534,391 4.338,392 2.501,393 1.534,394 2.3,396 4.064,397 1.474,398 2.757,399 1.476,400 3.699,401 2.411,402 1.435,403 1.88,405 3.099,406 1.397,407 2.551,408 1.266,409 3.609,410 2.222,411 1.264,412 1.57,414 2.89,415 1.207,416 2.455,417 1.052,418 3.472,419 2.002,420 1.041,421 1.449,423 2.399,424 1,425 2.116,426 1,427 3.401,428 2,429 1,430 1,432 2.136,433 0.998,434 2,435 0.793,436 3.247,437 1.669,438 0.735,439 0.984,441 1.891,442 0.685,443 1.894,444 0.399,445 3.034,446 1.365,447 0.399,448 0.595,450 0.99,451 0.384,452 1.152,453 0.034,454 2.796,455 0.87,456 -0.073,457 -0.086,459 -0.191,460 -0.069,461 0.806,462 -0.5,463 2.586,464 0.426,465 -0.547,466 -0.671,468 -1.405,469 -0.529,470 11.9,471 0.476,472 0.462,473 0.018,474 33.75,475 1.35,476 16.5,477 0.66,478 17.25,479 0.69,480 19.849,481 0.794,482 25.9,483 0.576,484 21.516,485 0.861,486 6.087,487 0.243,488 6.295,489 0.252,492 0.328,497 0.892,498 1.294,499 0.775,500 1.025,501 0.714,502 0.909,503 0.795,504 1.138,505 0.896,506 1.073,507 0.716,508 1.011,509 0.911,510 1.137,511 0.893,512 1.025,513 0.654,514 0.969,515 1.151,516 0.947,517 0.917,518 0.843,519 0.982,520 0.849,521 1.286,522 0.988,523 0.914,524 0.811,525 1,526 0.813,527 1.185,528 1.058,529 1.077,530 1.024,531 1.165,532 1.034,533 0.909,534 0.984,535 1.172,536 1.168,537 1.229,538 1.198,539 0.737,540 0.922,541 1.105,542 1.145,543 1.048,544 1.168,545 3.5,546 0.019,547 2.444,548 1.583,549 1.227,550 0.743,551 0.365,552 0.273,553 0.186,554 0.051,555 7343,556 15881,557 2.277,558 44.4,559 6,560 5,561 1,562 2,563 2,565 4,568 1.687,569 2.239,570 3.103,571 0.273,573 1,578 64.474,579 1.433,580 3.64,581 4.381,582 4.881,583 5.003,584 5.003,585 2.504,586 4.404,587 4.615,588 3.237,589 971.075,590 8.019,591 11459.3,593 1,595 1,596 247.133,597 0.904,598 4.616,599 0.121,600 0.003,601 0.06,602 0.041,603 0.035,604 0.021,605 0.009,606 0.008,607 0.008,608 0.003,609 0.308,610 0.5,611 0.88,613 117.972,614 0.057,615 -0.106,616 0.08,617 -0.017,618 0.138,619 0.025,620 0.188,621 -0.025,622 0.006,623 -0.083,624 0.175,625 -0.066,626 0.035,627 -0.159,628 0.078,629 -0.04,630 0.232,631 0.013,632 -0.063,633 0.017,634 0.091,635 0.109,636 0.041,637 0.118,638 -0.168,639 0.034,640 0.068,641 0.141,642 -0.042,643 0.136,644 -0.118,645 0.026,646 -0.144,647 -0.058,648 -0.128,649 -0.096,650 0.016,651 0.03,652 -0.23,653 -0.178,654 -0.219,655 -0.226,656 0.031,657 -0.019,658 -0.128,659 -0.128,660 -0.101,661 -0.145,662 0.942,663 1.798,664 0.96,665 19.373,666 0.995,667 1.131,668 2.952,669 8.712,670 0.675,671 3.401,672 3.738,673 4.078,674 4.407,675 4.654,676 4.787,677 4.997,678 5.193,679 5.268,680 5.357,681 5.375,682 0.64,683 332.45,684 3.401,685 4.949,686 5.826,687 6.72,688 7.616,689 8.521,690 9.425,691 10.335,692 11.245,693 12.158,694 13.3,699 1,702 2,704 3,708 3,709 7,710 3,711 1,714 3,716 20,728 1,735 45,737 20,738 1,739 29,741 49,742 19,743 13,744 3,745 3,748 5,749 7,757 6,760 6,762 13,763 6,780 1,783 20,784 4,785 2,786 6,789 1,792 6,796 0.6,806 1,809 1,814 2,815 3,818 2,842 3,850 25,856 5,858 1,861 1,879 11.167,880 7.967,881 5.389,882 2.979,884 4.143,885 1.53,886 1.064,887 3.673,888 11.957,889 3.689,890 4.35,891 5.043,892 5.725,893 6.281,894 6.73,895 7.262,896 7.789,897 8.107,898 8.554,899 0.833,900 39,901 9.231,903 4.014,904 7.453,905 18.25,907 15.766,909 1.953,910 48.833,913 1,914 211.88,915 91.994,916 86.194,921 91.994,922 211.88,923 86.194,925 12.673,926 46.952,927 91.787,928 48.174,929 13.915,930 176.567,932 211.88,933 178.188,937 164.795,938 47.084,941 55.088,942 54.855,943 68.245,945 211.88,946 86.194,947 91.994,950 211.88,951 26.946,952 66.334,953 34.674,954 50.234,955 211.88,956 86.194,957 91.994,959 0.578,960 0.346,961 0.2,962 0.109,963 23,964 8,965 0.061,966 3,967 2,968 1.167,969 3.797,970 225.41,971 0.167,972 24,973 112.096,979 14.912,980 6.158,981 2.687,982 2.849,983 68.245,984 13.89,985 13.341,986 3.002,989 3.072,991 34.674,992 390.068,993 39,1005 44.796,1006 50.896,1007 0.261,1008 0.663,1009 0.798,1010 0.889,1011 0.911,1012 0.911,1013 4.92,1014 1.435,1015 5.796,1016 4.064,1017 4.419,1018 5.037,1019 0.278,1020 6.629,1021 4.339,1022 6.128,1023 1.264,1024 7.356,1025 3.099,1026 3.892,1027 4.856,1029 7.545,1030 3.757,1031 7.444,1032 1.041,1033 9.02,1034 2.89,1035 6.019,1036 7.347,1037 0.05,1038 10.703,1039 5.851,1040 8.804,1041 1,1042 10.749,1043 2.399,1044 6.399,1045 8.109,1047 12.512,1048 6.166,1049 10.204,1050 0.735,1051 12.521,1052 2.136,1053 7.933,1054 10.01,1055 0.008,1056 15.165,1057 7.671,1058 11.633,1059 0.399,1060 14.323,1061 1.891,1062 8.735,1063 11.193,1065 17.334,1066 8.405,1067 13.084,1068 -0.073,1069 16.147,1070 0.99,1071 10.033,1072 12.86,1073 0.001,1074 19.828,1075 9.667,1076 3.265,1077 -0.547,1078 17.986,1079 -0.191,1080 11.03,1081 14.231,1083 22.147,1084 10.598,1085 2.916,1086 11.5,1087 19.838,1088 -1.405,1089 12.236,1090 15.804,1092 24.593,1093 11.761,1094 2.507,1095 9.323,1096 21.7,1097 4.621,1098 13.323,1099 17.255,1101 26.976,1102 12.785,1103 2.436,1104 8.164,1105 23.571,1106 4.349,1107 14.497,1108 18.791,1110 29.41,1111 13.909,1112 1.877,1113 7.182,1114 25.448,1115 3.373,1116 15.626,1117 20.277,1119 31.823,1120 14.977,1121 1.548,1122 5.639,1123 27.331,1124 2.744,1125 16.791,1126 21.799,1128 34.256,1129 16.089,1130 1.534,1131 4.366,1132 29.219,1133 2.392,1134 17.941,1135 23.301,1137 36.682,1138 17.179,1139 6653,1140 9971,1141 20.572,1142 30.364,1143 44.21,1144 43.873,1145 44.065,1146 43.936,1147 43.911,1148 59.156,1149 0.8,1150 127.284,1151 42.19,1152 5.681,1153 5.31,1154 6.668,1155 5.276,1156 5.265,1157 7.621,1158 0.8,1159 18.873,1160 5.089,1162 1.524,1163 1.513,1164 1.519,1165 1.515,1166 1.514,1167 2.04,1168 0.028,1169 4.389,1170 1.455,1171 4.167,1172 4.215,1173 4.14,1174 4.039,1175 5.156,1176 4.055,1177 4.018,1178 4.072,1179 3.985,1180 3.848,1181 5.058,1182 3.876,1183 3.844,1184 3.906,1185 3.704,1186 3.721,1187 4.479,1188 3.71,1189 3.456,1190 3.512,1191 3.391,1192 3.317,1193 4.324,1194 3.328,1195 3.245,1196 3.326,1197 3.131,1198 3.058,1199 4.175,1200 3.065,1201 3.111,1202 3.206,1203 2.949,1204 2.941,1205 3.978,1206 2.924,1207 3.095,1208 3.17,1209 2.866,1210 2.933,1211 3.757,1212 2.91,1213 2.921,1214 2.989,1215 2.801,1216 2.773,1217 3.694,1218 2.775,1219 0.161,1220 0.114,1221 0.237,1222 0.145,1223 0.113,1224 4.681,1225 0.159,1226 3.31,1227 0.014,1228 6.866,1229 0.397,1230 4.206,1231 0.107,1232 3.265,1233 4.621,1234 0.4,1235 11.5,1236 3.089,1237 1.956,1238 1.933,1239 2.097,1240 2.078,1241 1.477,1242 2.075,1243 1.879,1244 1.824,1245 2.023,1246 2.017,1247 1.178,1248 2.017,1249 1.809,1250 1.753,1251 1.911,1252 1.99,1253 0.965,1254 1.987,1255 1.395,1256 1.346,1257 1.544,1258 1.658,1259 0.825,1260 1.612,1261 1.307,1262 1.228,1263 1.513,1264 1.564,1265 0.81,1266 1.551,1267 1.153,1268 1.068,1269 1.464,1270 1.376,1271 0.523,1272 1.429,1273 1.14,1274 1.064,1275 1.347,1276 1.334,1277 0.406,1278 1.348,1279 0.923,1280 0.856,1281 1.124,1282 1.146,1283 0.207,1284 1.15,1285 4.078,1287 5.407,1288 3.045,1289 6.938,1290 5.416,1291 8.559,1292 7.535,1293 10.228,1301 6.365,1303 3.75,1306 0.505,1312 28.816,1313 64.474,1314 163.819,1315 197.159,1316 219.624,1317 225.133,1318 225.133,1319 26.747,1320 7.814,1321 70.9,1322 70.9,1323 28,1324 12.672,1325 4.392,1326 3.459,1327 31.82,1328 78,1329 81,1330 0.196,1331 173.405,1332 276.74,1333 414.867,1334 26766,1336 16.64,1337 0.666,1338 0.558,1339 16.64,1340 13.943,1341 12.382,1342 0.427,1343 0.307,1344 8.81,1345 11.967,1346 8.685,1347 7.184,1348 12.382,1349 8.915,1350 11.036,1351 0.269,1352 0.165,1353 11.036,1354 6.75,1355 9.909,1356 0.171,1357 0.087,1358 9.909,1359 5.063,1360 8.762,1361 0.108,1362 0.046,1363 8.762,1364 3.757,1365 7.207,1366 0.069,1367 0.026,1368 7.207,1369 2.68,1370 0.296,1371 77.055,1372 0.22,1373 23.787,1374 0.574,1375 140,1376 339.246,1377 151.906,1378 337.58,1379 487.46,1380 320,1381 169,1382 388.226,1383 182.627,1384 392.482,1385 581.16,1386 372,1387 5.9} {0 CHEMBL1682553,1 1.471,2 7.409,3 2.713,4 7.362,5 86.645,6 7.694,7 0.8,8 3.772,9 3.91,10 3.387,11 3.298,12 4.887,13 3.296,14 4.276,15 4.461,16 3.761,17 3.692,18 5.337,19 3.673,20 4.457,21 4.676,22 3.732,23 3.764,24 5.465,25 3.713,26 4.503,27 4.757,28 3.671,29 3.735,30 5.432,31 3.67,32 4.366,33 4.578,34 3.636,35 3.699,36 5.357,37 3.65,38 4.463,39 4.679,40 3.608,41 3.769,42 5.469,43 3.681,44 4.488,45 4.741,46 3.397,47 3.691,48 5.403,49 3.55,50 4.354,51 4.658,52 2.996,53 3.42,54 5.135,55 3.227,56 0.046,57 0.649,58 7.419,59 2.901,60 8.163,61 3.973,62 0.172,63 1.019,64 13.738,65 4.913,66 15.54,67 6.919,68 0.167,69 1.137,70 17.672,71 5.795,72 20.699,73 8.467,74 0.22,75 1.124,76 19.977,77 6.21,78 24.269,79 9.306,80 0.17,81 1.048,82 15.872,83 4.997,84 17.058,85 7.242,86 0.193,87 1.117,88 17.591,89 6.224,90 24.266,91 8.886,92 0.243,93 1.056,94 19.423,95 7.06,96 26.651,97 10.216,98 0.19,99 0.824,100 18.859,101 6.66,102 24.15,103 10.001,104 7,105 36,106 0.259,107 0.669,108 0.798,109 0.844,110 0.844,111 0.844,112 3.149,113 0.87,114 -3.47,115 -3.45,116 -3.29,119 42.1,120 2,127 1,142 4,143 2,145 2,146 1,151 1,152 1,153 1,162 1,168 1,172 4,174 3,175 4,178 1,180 4,183 5,188 5,191 1,193 3,196 2,200 10,203 1,205 4,213 6,218 2,221 3,224 1,225 4,228 1,233 8,238 1,242 2,243 1,247 6,252 1,256 1,266 3,271 3,278 624,279 15.085,280 15.085,281 15.085,282 15.085,283 15.085,284 12.854,285 9.487,286 8.882,287 15.437,288 12.391,289 12.391,290 12.391,291 12.391,292 12.391,293 9.011,294 17.5,295 4.24,296 12.988,297 3.777,298 1.455,299 0.724,300 0.461,301 0.461,302 0.461,303 3.848,306 1,307 1,308 1,309 361,310 2.739,313 82.37,314 97.378,317 150.002,321 1.136,322 11.841,323 1,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 47,334 163,335 4.68,336 3.306,337 6.864,338 4.204,339 3.263,340 4.621,341 0.4,342 11.492,343 3.087,344 4.407,345 2.92,346 6.22,347 3.888,348 2.915,349 4.349,351 9.322,352 2.822,353 3.853,354 2.458,355 5.916,356 3.401,357 2.444,358 3.373,360 8.163,361 2.334,362 3.422,363 2.39,364 5.24,365 3.184,366 2.235,367 2.712,369 6.297,370 2.116,371 3.049,372 1.793,373 4.532,374 2.691,375 1.744,376 2.321,378 4.62,379 1.652,380 3.034,381 1.548,382 4.509,383 2.518,384 1.547,385 2.3,387 4.365,388 1.507,389 3.014,390 1.534,391 4.333,392 2.497,393 1.534,394 2.077,396 4.047,397 1.464,398 2.751,399 1.268,400 3.616,401 2.222,402 1.265,403 1.87,405 2.89,406 1.208,407 2.525,408 1.053,409 3.492,410 2.002,411 1.041,412 1.537,414 2.396,415 0.998,416 2.124,417 0.781,418 3.399,419 1.655,420 0.722,421 0.983,423 1.833,424 0.672,425 1.894,426 0.399,427 3.034,428 1.364,429 0.399,430 0.595,432 0.989,433 0.384,434 1.083,435 -0.089,436 2.713,437 0.744,438 -0.195,439 -0.239,441 -0.513,442 -0.182,443 0.765,444 -0.611,445 2.4,446 0.334,447 -0.641,448 -0.852,450 -1.716,451 -0.621,452 0.66,453 -0.832,454 2.258,455 0.127,456 -0.835,457 -1,459 -2,460 -0.8,461 0.561,462 -0.927,463 2.101,464 0.044,465 -0.93,466 -1.243,468 -2.113,469 -0.905,470 10.4,471 0.473,472 0.538,473 0.024,474 31.75,475 1.443,476 16.5,477 0.75,478 15.25,479 0.693,480 15.292,481 0.695,482 22.6,483 0.595,484 20.467,485 0.93,486 6.112,487 0.278,488 4.608,489 0.209,490 0.096,492 0.375,497 0.921,498 1.339,499 0.748,500 1.027,501 0.894,502 0.891,503 0.833,504 1.07,505 0.762,506 0.917,507 0.739,508 0.844,509 1.121,510 1.167,511 0.956,512 1.01,513 0.891,514 0.967,515 1.085,516 0.954,517 0.857,518 0.813,519 0.972,520 0.803,521 1.408,522 1.087,523 1.101,524 0.955,525 1.042,526 0.978,527 1.051,528 1.074,529 1.188,530 1.18,531 1.174,532 1.2,533 0.728,534 0.918,535 1.167,536 1.213,537 1.148,538 1.248,539 0.511,540 0.834,541 0.941,542 1.069,543 0.736,544 1.07,545 4,547 2.444,548 1.646,549 1.236,550 0.848,551 0.416,552 0.336,553 0.162,554 0.049,555 4785,556 11763,557 2.176,558 42.1,560 5,561 1,562 2,563 2,565 6,568 1.652,569 2.063,570 2.925,571 0.348,572 1,573 1,575 1,578 55.911,579 1.471,580 3.793,581 4.524,582 4.787,583 4.787,584 4.787,585 2.244,586 4.278,587 4.432,588 3.068,589 708.695,590 7.647,591 7601.44,592 1,593 1,594 1,595 1,596 199.421,597 1.322,598 4.403,599 0.16,601 0.068,602 0.048,603 0.039,604 0.027,605 0.014,606 0.015,607 0.012,608 0.006,609 0.39,610 0.67,611 1,612 0.923,613 98.66,614 0.026,615 -0.16,616 0.069,617 -0.05,618 -0.069,619 0.004,620 0.198,621 0.04,622 0.128,623 0.043,624 0.169,625 0.069,626 -0.096,627 -0.131,628 -0.019,629 -0.052,630 0.02,631 -0.029,632 -0.057,633 0.016,634 0.136,635 0.15,636 0.028,637 0.168,638 -0.321,639 -0.014,640 -0.178,641 -0.015,642 -0.13,643 -0.065,644 -0.115,645 -0.047,646 -0.269,647 -0.204,648 -0.152,649 -0.249,650 0.111,651 0.014,652 -0.198,653 -0.209,654 -0.189,655 -0.243,656 0.218,657 -0.034,658 0.106,659 -0.029,660 0.165,661 0.013,662 1.031,663 1.686,664 0.818,665 15.215,666 1.001,667 1.133,668 2.239,669 5.011,670 0.68,671 3.258,672 3.611,673 3.932,674 4.277,675 4.511,676 4.644,677 4.804,678 4.956,679 4.97,680 4.997,681 4.847,682 0.652,683 292.38,684 3.258,685 4.812,686 5.687,687 6.592,688 7.491,689 8.403,690 9.311,691 10.226,692 11.138,693 12.054,694 15.8,699 1,702 2,704 3,708 3,709 7,710 3,711 1,714 3,716 20,728 1,735 38,737 20,738 1,739 25,741 41,742 16,743 13,744 3,745 3,748 4,749 6,754 2,760 1,762 13,763 3,779 1,780 1,783 16,784 4,785 2,786 6,789 1,792 6,796 0.5,806 1,809 1,814 2,815 2,818 2,842 2,846 2,850 22,858 1,861 1,879 10.667,880 7.467,881 4.722,882 2.313,884 4.101,885 1.559,886 1.042,887 3.085,888 11.436,889 3.584,890 4.284,891 4.99,892 5.692,893 6.25,894 6.698,895 7.219,896 7.737,897 8.039,898 8.474,899 0.8,900 34,901 8.068,903 3.436,904 7.561,905 15.582,907 12.91,909 2.061,910 45.333,914 164.795,915 96.971,916 86.194,921 96.971,922 164.795,923 86.194,924 17.65,926 46.952,927 91.787,928 48.174,929 13.915,930 129.482,932 164.795,933 183.166,937 94.169,938 70.627,941 60.066,942 54.855,943 68.245,945 164.795,946 86.194,947 96.971,950 164.795,951 14.274,952 83.984,953 34.674,954 50.234,955 164.795,956 86.194,957 96.971,959 0.584,960 0.338,961 0.201,962 0.115,963 20,964 8,965 0.073,966 3,967 2,968 1.222,969 3.423,970 185.538,971 0.222,972 18,973 96.107,979 13.286,980 5.109,981 2.273,982 2.773,983 68.245,984 13.615,985 13.098,986 2.968,989 2.902,991 34.674,992 347.961,993 35,1005 38.029,1006 43.066,1007 0.28,1008 0.723,1009 0.862,1010 0.912,1011 0.912,1012 0.912,1013 4.812,1014 1.265,1015 5.68,1016 4.047,1017 4.29,1018 4.97,1019 0.278,1020 6.532,1021 4.199,1022 6.051,1023 1.041,1024 7.256,1025 2.89,1026 3.892,1027 4.856,1029 7.496,1030 3.757,1031 7.38,1032 0.722,1033 8.935,1034 2.396,1035 5.911,1036 7.32,1037 0.05,1038 10.643,1039 5.725,1040 8.753,1041 0.399,1042 10.676,1043 1.833,1044 6.365,1045 8.103,1047 12.475,1048 6.127,1049 10.161,1050 -0.195,1051 12.457,1052 0.989,1053 7.849,1054 9.999,1055 0.008,1056 15.131,1057 7.567,1058 11.597,1059 -0.641,1060 14.267,1061 -0.513,1062 8.694,1063 11.19,1065 17.311,1066 8.356,1067 13.054,1068 -0.835,1069 16.097,1070 -1.716,1071 9.97,1072 12.857,1073 0.001,1074 19.808,1075 9.587,1076 3.263,1077 -0.93,1078 17.943,1079 -2,1080 10.992,1081 14.229,1083 22.133,1084 10.551,1085 2.915,1086 11.492,1087 19.801,1088 -2.113,1089 12.191,1090 15.802,1092 24.58,1093 11.701,1094 2.444,1095 9.322,1096 21.668,1097 4.621,1098 13.292,1099 17.254,1101 26.965,1102 12.745,1103 2.235,1104 8.163,1105 23.543,1106 4.349,1107 14.464,1108 18.79,1110 29.4,1111 13.865,1112 1.744,1113 6.297,1114 25.424,1115 3.373,1116 15.6,1117 20.276,1119 31.813,1120 14.944,1121 1.547,1122 4.62,1123 27.31,1124 2.712,1125 16.766,1126 21.798,1128 34.246,1129 16.056,1130 1.534,1131 4.365,1132 29.201,1133 2.321,1134 17.919,1135 23.3,1137 36.671,1138 17.152,1139 4518,1140 7223,1141 17.107,1142 25.841,1143 38.709,1144 38.193,1145 38.95,1146 38.219,1147 38.22,1148 53.478,1149 0.8,1150 112.83,1151 36.489,1152 5.461,1153 5.306,1154 6.545,1155 5.273,1156 5.263,1157 7.621,1158 0.8,1159 18.865,1160 5.087,1161 8.155,1162 1.548,1163 1.528,1164 1.558,1165 1.529,1166 1.529,1167 2.139,1168 0.032,1169 4.513,1170 1.46,1171 4.164,1172 4.211,1173 4.138,1174 4.036,1175 5.156,1176 4.053,1177 4.016,1178 4.071,1179 3.984,1180 3.84,1181 5.058,1182 3.872,1183 3.627,1184 3.706,1185 3.479,1186 3.459,1187 4.482,1188 3.451,1189 3.434,1190 3.491,1191 3.355,1192 3.294,1193 4.317,1194 3.302,1195 3.17,1196 3.239,1197 3.071,1198 3.011,1199 4.154,1200 3.017,1201 2.925,1202 3.009,1203 2.806,1204 2.778,1205 3.926,1206 2.78,1207 2.874,1208 2.993,1209 2.743,1210 2.618,1211 3.754,1212 2.604,1213 2.824,1214 2.912,1215 2.499,1216 2.57,1217 3.467,1218 2.57,1219 0.187,1220 0.132,1221 0.275,1222 0.168,1223 0.131,1224 4.68,1225 0.185,1226 3.306,1227 0.016,1228 6.864,1229 0.46,1230 4.204,1231 0.123,1232 3.263,1233 4.621,1234 0.4,1235 11.492,1236 3.087,1237 1.953,1238 1.932,1239 2.03,1240 2.061,1241 1.186,1242 2.042,1243 1.834,1244 1.778,1245 1.946,1246 2.017,1247 1.104,1248 2.005,1249 1.637,1250 1.566,1251 1.878,1252 1.843,1253 0.937,1254 1.862,1255 1.336,1256 1.284,1257 1.468,1258 1.648,1259 0.533,1260 1.6,1261 1.297,1262 1.227,1263 1.417,1264 1.474,1265 0.469,1266 1.458,1267 0.953,1268 0.887,1269 1.401,1270 1.239,1271 0.406,1272 1.308,1273 0.934,1274 0.804,1275 1.139,1276 1.179,1277 0.211,1278 1.176,1279 0.859,1280 0.789,1281 1.054,1282 1.083,1283 0.027,1284 1.092,1285 3.932,1287 5.273,1288 3.045,1289 6.806,1290 5.416,1291 8.431,1292 7.535,1293 10.108,1295 4.22,1303 3.474,1306 0.302,1312 24.762,1313 55.911,1314 144.118,1315 171.911,1316 181.911,1317 181.911,1318 181.911,1319 22.318,1320 7.335,1321 70.9,1322 70.9,1323 22,1324 12.566,1325 4.392,1326 3.459,1327 29.666,1328 62,1329 56,1330 0.235,1331 152.021,1332 237.2,1333 362.691,1334 14032,1336 15.104,1337 0.687,1338 0.564,1339 15.104,1340 12.408,1341 10.72,1342 0.429,1343 0.29,1344 7.149,1345 10.296,1346 6.939,1347 5.816,1348 10.72,1349 7.253,1350 9.926,1351 0.276,1352 0.155,1353 9.926,1354 5.57,1355 8.322,1356 0.166,1357 0.071,1358 8.322,1359 3.543,1360 7.498,1361 0.106,1362 0.036,1363 7.498,1364 2.59,1365 6.157,1366 0.068,1367 0.02,1368 6.157,1369 1.765,1370 0.351,1371 67.084,1372 0.242,1373 21.144,1374 0.699,1375 122,1376 321.246,1377 133.906,1378 319.916,1379 459.58,1380 302,1381 147,1382 366.226,1383 160.294,1384 371.089,1385 547.06,1386 350,1387 6.6} {0 CHEMBL1682558,1 1.597,2 10.034,3 3.356,4 11.259,5 111.013,6 7.676,7 0.636,8 4.059,9 4.181,10 3.667,11 3.586,12 5.143,13 3.582,14 4.613,15 4.788,16 4.014,17 3.992,18 5.652,19 3.972,20 4.827,21 5.039,22 4.001,23 4.12,24 5.805,25 4.048,26 4.876,27 5.118,28 3.942,29 4.118,30 5.774,31 4.02,32 4.869,33 5.126,34 3.944,35 4.089,36 5.726,37 4.001,38 4.808,39 5.022,40 4.019,41 4.13,42 5.785,43 4.051,44 4.896,45 5.123,46 4.032,47 4.156,48 5.875,49 4.066,50 4.878,51 5.121,52 3.891,53 4.059,54 5.842,55 3.96,56 0.058,57 0.866,58 9.994,59 4.479,60 7.303,61 5.726,62 0.282,63 1.398,64 20.086,65 7.192,66 21.645,67 9.376,68 0.408,69 1.643,70 26.741,71 9.894,72 35.834,73 13.187,74 0.295,75 1.657,76 28.813,77 10.448,78 35.278,79 14.797,80 0.377,81 1.576,82 29.558,83 9.961,84 31.569,85 14.473,86 0.388,87 1.609,88 25.731,89 9.89,90 31.684,91 13.71,92 0.326,93 1.746,94 28.601,95 10.895,96 32.574,97 15.226,98 0.374,99 1.644,100 29.431,101 10.384,102 41.721,103 14.392,104 2,105 46,106 0.265,107 0.605,108 0.737,109 0.827,110 0.836,111 0.836,112 3.409,113 0.893,114 -4.34,115 -4.27,116 -4.03,119 43.1,125 6,142 7,143 3,144 1,145 1,146 1,152 2,160 1,168 1,172 8,174 1,175 3,180 2,183 8,187 2,188 8,193 2,196 5,200 10,205 1,208 4,212 1,213 5,221 8,224 2,225 3,228 1,233 8,238 1,239 5,242 1,244 1,247 4,252 1,253 5,258 2,265 1,266 5,269 1,271 2,278 1582,279 20.223,280 20.223,281 20.223,282 20.223,283 20.223,284 17.814,285 13.2,286 12.029,287 20.783,288 16.329,289 16.329,290 16.329,291 16.329,292 16.329,293 12.715,294 13.238,295 5.748,296 17.224,297 4.075,298 2.024,299 1.224,300 0.681,301 0.627,302 0.627,303 4.123,307 1,308 1,309 651,310 2.55,313 142.621,314 255.411,317 109.726,321 1.486,322 23.083,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 63,334 291,335 4.615,336 3.274,337 6.911,338 4.215,339 3.248,340 4.444,341 0.86,342 11.635,343 3.143,344 4.368,345 2.926,346 6.186,347 3.87,348 2.89,349 4.2,350 0.8,351 9.211,352 2.831,353 3.976,354 2.898,355 5.854,356 3.555,357 2.595,358 3.564,360 8.047,361 2.495,362 3.549,363 2.846,364 5.361,365 3.425,366 2.501,367 2.927,369 6.996,370 2.301,371 3.538,372 2.428,373 5.172,374 3.126,375 2.178,376 2.762,378 6.176,379 2.052,380 3.389,381 2.195,382 5.032,383 2.997,384 2.051,385 2.496,387 5.999,388 1.926,389 3.034,390 2.07,391 4.423,392 2.517,393 1.534,394 2.301,396 4.232,397 1.507,398 2.763,399 1.534,400 4.343,401 2.417,402 1.523,403 1.852,405 3.88,406 1.361,407 2.619,408 1.475,409 3.792,410 2.231,411 1.315,412 1.676,414 3.113,415 1.19,416 2.5,417 1.256,418 3.632,419 2.093,420 1.136,421 1.5,423 2.635,424 1.084,425 2.485,426 1.137,427 3.427,428 2,429 1,430 1.484,432 2.275,433 1,434 2.346,435 1,436 3.414,437 1.952,438 1,439 1.271,441 2.159,442 0.946,443 2,444 0.867,445 3.247,446 1.802,447 0.859,448 1,450 2.136,451 0.808,452 1.901,453 0.743,454 3.139,455 1.529,456 0.588,457 0.674,459 1.413,460 0.55,461 1.679,462 0.412,463 3.028,464 1.352,465 0.387,466 0.546,468 0.958,469 0.372,470 13.619,471 0.47,472 0.568,473 0.02,474 37.75,475 1.302,476 18,477 0.621,478 19.75,479 0.681,480 23.239,481 0.801,482 30.781,483 0.604,484 28.119,485 0.97,486 7.666,487 0.264,488 6.61,489 0.228,490 0.021,492 0.316,495 1,497 0.703,498 1.198,499 0.719,500 1.089,501 0.534,502 0.941,503 1.124,504 0.984,505 0.946,506 0.874,507 0.672,508 0.867,509 0.987,510 0.973,511 1.039,512 0.982,513 0.85,514 1.015,515 0.708,516 1.014,517 0.96,518 1.051,519 0.682,520 1.048,521 0.669,522 0.763,523 0.841,524 0.803,525 0.415,526 0.834,527 0.571,528 0.86,529 0.906,530 0.995,531 0.494,532 1.014,533 0.587,534 1.019,535 0.926,536 1.14,537 0.629,538 1.108,539 0.889,540 1.035,541 1.04,542 1.088,543 0.857,544 1.088,545 4.5,546 0.139,547 3.111,548 1.444,549 1.447,550 0.781,551 0.593,552 0.492,553 0.258,554 0.153,555 11033,556 29337,557 2.215,558 43.1,560 19,562 2,563 1,568 1.727,569 2.148,570 3.299,571 -0.336,572 1,573 1,578 81.469,579 1.597,580 3.649,581 4.449,582 4.991,583 5.045,584 5.045,585 2.738,586 4.513,587 4.825,588 3.469,589 1408.59,590 8.447,591 18930.3,593 1,595 1,596 289.294,597 1.091,598 4.82,599 0.136,600 0.006,601 0.068,602 0.033,603 0.035,604 0.019,605 0.013,606 0.011,607 0.007,608 0.005,609 0.333,610 0.33,611 0.88,612 0.335,613 145.501,614 0.012,615 -0.138,616 0.075,617 -0.076,618 0.009,619 -0.007,620 -0.167,621 0.024,622 -0.053,623 0.083,624 -0.017,625 0.049,626 -0.082,627 0.014,628 -0.105,629 0.01,630 -0.018,631 -0.042,632 -0.042,633 -0.104,634 -0.024,635 -0.065,636 -0.014,637 -0.044,638 -0.027,639 0.061,640 0.114,641 0.154,642 0.018,643 0.163,644 0.101,645 0.055,646 -0.004,647 -0.001,648 0.054,649 -0.025,650 0.095,651 -0.099,652 -0.004,653 -0.147,654 0.042,655 -0.109,656 -0.033,657 -0.105,658 -0.07,659 -0.109,660 -0.015,661 -0.097,662 1.915,663 5.445,664 0.897,665 28.54,666 1.006,667 1.133,668 3.109,669 9.667,670 0.672,671 3.526,672 3.85,673 4.159,674 4.454,675 4.673,676 4.787,677 4.99,678 5.193,679 5.278,680 5.357,681 6.25,682 0.646,683 391.49,684 3.526,685 5.069,686 5.932,687 6.815,688 7.696,689 8.587,690 9.478,691 10.375,692 11.272,693 12.174,694 9.8,697 1,702 2,704 2,708 2,709 9,710 2,711 1,714 5,715 1,716 21,734 1,735 51,737 21,738 2,739 33,741 55,742 22,743 16,744 5,745 7,748 5,749 6,762 16,763 6,780 1,781 1,783 22,784 5,785 1,786 7,789 1,792 5,796 0.8,797 1,806 1,814 2,815 3,818 1,838 1,841 1,842 4,848 1,850 29,856 6,859 1,862 1,871 1,872 2,876 1,879 13.5,880 9.11,881 6.306,882 3.098,884 3.733,885 1.476,886 1.04,887 5.046,888 11.575,889 3.795,890 4.419,891 5.059,892 5.696,893 6.203,894 6.617,895 7.128,896 7.632,897 7.946,898 8.305,899 0.857,900 44,901 10.722,903 4.619,904 7.661,905 20.775,907 17.452,909 2.161,910 62.667,912 1,913 1,914 247.193,915 127.33,916 55.135,918 11,919 14.96,921 127.33,922 258.193,923 70.095,925 17.608,926 66.334,927 76.609,928 51.556,929 19.861,930 223.651,932 247.193,933 182.465,934 25.96,937 262.153,939 11,941 59.717,942 89.3,943 33.449,945 262.153,946 66.135,947 127.33,950 247.193,951 43.33,952 89.023,953 16.663,954 59.409,955 247.193,956 81.095,957 127.33,959 0.579,960 0.34,961 0.188,962 0.101,963 24,964 9,965 0.091,966 5,967 1,968 1.077,969 4.139,970 268.361,971 0.077,972 26,973 132.881,979 18.347,980 7.975,981 3.782,982 2.046,983 62.533,984 16.457,985 8.824,986 2.995,989 3.612,990 2.19,991 16.663,992 455.618,993 43.5,1005 51.301,1006 57.777,1007 0.282,1008 0.643,1009 0.784,1010 0.88,1011 0.889,1012 0.889,1013 5.026,1014 1.523,1015 5.9,1016 4.232,1017 4.533,1018 5.106,1019 1.235,1020 6.711,1021 4.438,1022 6.222,1023 1.315,1024 7.449,1025 3.88,1026 4.007,1027 4.856,1028 0.325,1029 7.612,1030 3.874,1031 7.526,1032 1.136,1033 9.102,1034 3.113,1035 6.116,1036 7.341,1037 0.938,1038 10.746,1039 5.95,1040 8.871,1041 1,1042 10.819,1043 2.635,1044 6.479,1045 8.013,1046 0.268,1047 12.558,1048 6.284,1049 10.253,1050 1,1051 12.581,1052 2.275,1053 7.999,1054 9.904,1055 0.732,1056 15.202,1057 7.775,1058 11.663,1059 0.859,1060 14.374,1061 2.159,1062 8.775,1063 10.999,1064 0.188,1065 17.386,1066 8.526,1067 13.093,1068 0.588,1069 16.191,1070 2.136,1071 10.062,1072 12.648,1073 0.57,1074 19.884,1075 9.785,1076 3.248,1077 0.387,1078 18.026,1079 1.413,1080 11.036,1081 13.942,1082 0.125,1083 22.222,1084 10.733,1085 2.89,1086 11.635,1087 19.876,1088 0.958,1089 12.231,1090 15.489,1091 0.438,1092 24.678,1093 11.901,1094 2.595,1095 9.211,1096 21.739,1097 4.444,1098 13.301,1099 16.877,1100 0.082,1101 27.08,1102 12.943,1103 2.501,1104 8.047,1105 23.611,1106 4.2,1107 14.465,1108 18.379,1109 0.334,1110 29.527,1111 14.078,1112 2.178,1113 6.996,1114 25.492,1115 3.564,1116 15.581,1117 19.812,1118 0.054,1119 31.955,1120 15.165,1121 2.051,1122 6.176,1123 27.38,1124 2.927,1125 16.737,1126 21.297,1127 0.252,1128 34.402,1129 16.291,1130 1.534,1131 5.999,1132 29.274,1133 2.762,1134 17.877,1135 22.751,1136 0.035,1137 36.843,1138 17.4,1139 10142,1140 16678,1141 23.057,1142 34.273,1143 49.978,1144 50.072,1145 50.284,1146 49.704,1147 49.612,1148 65.394,1149 3.32,1150 141.73,1151 47.129,1152 5.615,1153 5.274,1154 6.713,1155 5.318,1156 5.248,1157 7.444,1158 1.72,1159 18.858,1160 5.143,1161 7.271,1162 1.514,1163 1.517,1164 1.524,1165 1.506,1166 1.503,1167 1.982,1168 0.101,1169 4.295,1170 1.428,1171 4.144,1172 4.184,1173 4.11,1174 4.042,1175 8.201,1176 4.053,1177 3.972,1178 4.019,1179 3.933,1180 3.864,1181 5.106,1182 3.873,1183 3.821,1184 3.875,1185 3.74,1186 3.644,1187 4.921,1188 3.662,1189 3.733,1190 3.786,1191 3.644,1192 3.53,1193 4.624,1194 3.55,1195 3.329,1196 3.396,1197 3.223,1198 3.147,1199 4.546,1200 3.154,1201 3.228,1202 3.297,1203 3.106,1204 3.039,1205 4.321,1206 3.044,1207 3.111,1208 3.206,1209 2.866,1210 2.941,1211 4.008,1212 2.91,1213 2.933,1214 2.997,1215 2.824,1216 2.799,1217 3.768,1218 2.797,1219 0.14,1220 0.099,1221 0.209,1222 0.128,1223 0.098,1224 4.615,1225 0.135,1226 3.274,1227 0.026,1228 6.911,1229 0.353,1230 4.215,1231 0.095,1232 3.248,1233 4.444,1234 0.86,1235 11.635,1236 3.143,1237 1.976,1238 1.955,1239 2.051,1240 2.059,1241 1.283,1242 2.058,1243 1.874,1244 1.85,1245 1.972,1246 1.988,1247 1.198,1248 1.985,1249 1.752,1250 1.688,1251 1.96,1252 1.96,1253 1.066,1254 1.963,1255 1.529,1256 1.467,1257 1.739,1258 1.774,1259 1.002,1260 1.763,1261 1.313,1262 1.237,1263 1.513,1264 1.636,1265 0.825,1266 1.591,1267 1.265,1268 1.224,1269 1.465,1270 1.425,1271 0.555,1272 1.429,1273 1.153,1274 1.064,1275 1.342,1276 1.376,1277 0.406,1278 1.4,1279 1.088,1280 1.016,1281 1.319,1282 1.343,1283 0.347,1284 1.344,1285 4.205,1287 5.525,1288 3.045,1289 7.04,1290 5.352,1291 8.641,1292 7.413,1293 10.29,1297 13.445,1301 5.242,1304 5.449,1307 2.407,1312 32.946,1313 81.469,1314 186.093,1315 226.887,1316 254.539,1317 257.294,1318 257.294,1319 38.957,1320 7.841,1321 58.97,1322 58.97,1323 28,1324 12.696,1325 4.459,1326 3.524,1327 39.268,1328 100,1329 122,1330 0.178,1331 197.654,1332 329.86,1333 474.037,1334 26511,1335 2,1336 19.631,1337 0.677,1338 0.552,1339 18.761,1340 16.014,1341 14.276,1342 0.433,1343 0.298,1344 9.654,1345 13.61,1346 9.51,1347 7.78,1348 13.882,1349 9.825,1350 12.704,1351 0.276,1352 0.158,1353 12.082,1354 7.268,1355 11.121,1356 0.177,1357 0.086,1358 10.71,1359 5.43,1360 9.49,1361 0.112,1362 0.045,1363 9.339,1364 3.837,1365 7.642,1366 0.072,1367 0.025,1368 7.412,1369 2.612,1370 0.272,1371 90.117,1372 0.208,1373 27.26,1374 0.508,1375 158,1376 484.76,1377 174.09,1378 442.509,1379 608.79,1380 418,1381 188,1382 449.815,1383 205.141,1384 449.639,1385 660.54,1386 424,1387 5.9} {0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,119 39,120 2,125 6,127 1,135 1,136 1,142 3,143 3,144 2,152 2,158 2,172 6,175 2,178 2,180 8,183 7,187 1,188 3,191 1,192 1,193 6,196 8,200 4,203 2,204 1,205 3,208 7,213 3,216 2,217 1,218 4,221 5,224 1,225 4,228 1,230 5,233 4,239 3,242 1,243 1,244 5,247 4,252 1,253 3,256 3,257 1,258 2,261 3,265 1,266 3,271 2,274 1,278 1848,279 21.223,280 21.223,281 21.223,282 21.223,283 21.223,284 19.391,285 27.43,286 12.368,287 21.716,288 17.25,289 17.25,290 17.25,291 17.25,292 17.25,293 14.312,294 32.432,295 5.9,296 18.022,297 4.211,298 1.97,299 0.988,300 0.568,301 0.568,302 0.568,303 4.192,307 1,308 1,309 916,310 3.873,313 171.946,314 218.907,317 145.076,321 2.219,322 48.49,325 1,326 1,327 1,328 1,329 1,330 1,331 1,332 1,333 71.5,334 423,335 4.619,336 3.668,337 6.845,338 4.246,339 3.256,340 4.332,341 1.058,342 11.258,343 3.22,344 4.49,345 3.636,346 6.721,347 4.136,348 3.146,349 4.111,350 1.058,351 10.906,352 3.113,353 3.83,354 3.004,355 5.706,356 3.555,357 2.629,358 3.258,359 0.86,360 7.539,361 2.437,362 3.66,363 2.972,364 5.487,365 3.399,366 2.421,367 2.903,368 0.8,369 7.378,370 2.358,371 3.587,372 2.95,373 5.451,374 3.262,375 2.293,376 2.626,378 6.677,379 2.216,380 3.323,381 2.546,382 4.967,383 3.048,384 2.109,385 2.56,387 5.747,388 1.966,389 3.196,390 2.495,391 4.912,392 2.883,393 1.917,394 2.351,396 5.55,397 1.826,398 3.087,399 2.204,400 4.775,401 2.782,402 1.804,403 2.149,405 5.012,406 1.753,407 3.032,408 2.075,409 4.706,410 2.634,411 1.639,412 2.111,414 4.753,415 1.619,416 2.707,417 1.951,418 4.375,419 2.331,420 1.429,421 1.732,423 3.768,424 1.306,425 2.419,426 1.554,427 3.644,428 2.242,429 1.311,430 1.412,432 3.007,433 1.188,434 2.357,435 1.256,436 3.577,437 1.952,438 1,439 1.179,441 2.188,442 0.946,443 2,444 1.19,445 3.247,446 1.799,447 0.819,448 1,450 2.136,451 0.799,452 1.625,453 0.939,454 3.146,455 1.438,456 0.483,457 0.519,459 1.121,460 0.457,461 1.511,462 0.82,463 2.92,464 1.085,465 0.113,466 0.149,468 0.285,469 0.108,470 14.719,471 0.46,472 0.929,473 0.029,474 36.25,475 1.133,476 15,477 0.469,478 21.25,479 0.664,480 31.146,481 0.973,482 36.281,483 0.615,484 30.786,485 0.962,486 7.488,487 0.234,488 7.842,489 0.245,490 0.155,492 0.401,495 1,497 0.768,498 1.261,499 0.784,500 1.135,501 0.625,502 0.986,503 0.859,504 1.071,505 0.836,506 0.962,507 0.593,508 0.899,509 1.034,510 1.034,511 1.058,512 1.015,513 0.954,514 1.035,515 0.774,516 1.001,517 0.944,518 1.111,519 0.819,520 1.074,521 1.077,522 0.887,523 0.994,524 0.936,525 1.208,526 0.949,527 0.972,528 0.899,529 0.956,530 0.883,531 1.028,532 0.906,533 0.772,534 0.885,535 0.855,536 0.976,537 0.761,538 0.943,539 1.213,540 1.039,541 1.15,542 1.063,543 1.377,544 1.096,545 7,546 0.18,547 3.778,548 3.431,549 1.814,550 1.022,551 0.88,552 0.638,553 0.43,554 0.274,555 15023,556 43244,557 2.045,558 45.8,559 3,560 17,563 4,564 3,568 1.743,569 1.882,570 3.644,571 1.601,573 1,578 98.652,579 1.672,580 3.913,581 4.895,582 5.315,583 5.315,584 5.315,585 3.082,586 4.813,587 4.969,588 3.863,589 1916.02,590 8.683,591 28585.6,593 1,596 347.076,597 1.505,598 4.914,599 0.2,600 0.007,601 0.076,602 0.069,603 0.039,604 0.023,605 0.021,606 0.016,607 0.012,608 0.009,609 0.471,610 0.17,611 1,612 0.609,613 169.78,614 -0.086,615 -0.109,616 0.026,617 -0.008,618 -0.065,619 0.031,620 -0.043,621 -0.023,622 0.057,623 0.075,624 0.03,625 0.088,626 -0.095,627 0.002,628 -0.12,629 -0.003,630 -0.069,631 -0.057,632 -0.002,633 -0.071,634 -0.005,635 -0.119,636 0.003,637 -0.071,638 -0.029,639 -0.008,640 0.006,641 0.017,642 -0.032,643 0.015,644 0.022,645 0.023,646 0.041,647 0.076,648 0.027,649 0.068,650 0.049,651 -0.01,652 0.105,653 -0.002,654 0.031,655 0.053,656 -0.06,657 -0.081,658 -0.145,659 -0.1,660 -0.054,661 -0.145,662 2.096,663 5.816,664 0.625,665 36,666 1.014,667 1.138,668 1.078,669 1.163,670 0.643,671 3.584,672 3.932,673 4.205,674 4.489,675 4.644,676 4.663,677 4.82,678 4.934,679 4.942,680 5.011,681 7.755,682 0.621,683 442.54,684 3.584,685 5.142,686 5.999,687 6.891,688 7.767,689 8.663,690 9.55,691 10.449,692 11.342,693 12.245,694 6.8,697 1,701 2,702 1,709 3,711 1,714 7,716 11,723 1,734 1,735 59,737 14,738 1,739 35,741 62,742 23,743 10,744 3,745 3,746 4,748 4,749 5,754 2,760 1,762 14,763 9,767 3,772 2,774 1,776 3,780 1,781 1,783 27,784 8,785 4,786 9,792 4,796 0.75,797 4,799 1,810 1,814 2,815 2,818 1,828 1,833 1,834 1,838 1,840 1,841 1,842 3,846 2,848 1,850 32,855 1,856 6,858 2,859 1,861 1,862 1,871 1,872 6.8,873 1,875 2,876 1,879 17,880 10.96,881 6.944,882 3.472,884 2.828,885 1.362,886 0.959,887 6.767,888 10.638,889 3.795,890 4.366,891 4.917,892 5.478,893 5.914,894 6.203,895 6.615,896 7.018,897 7.292,898 7.613,899 0.889,900 50,901 11.977,903 5.266,904 8,905 22.41,907 18.613,909 2.5,910 80,914 270.735,915 112.706,916 55.931,918 103.973,919 14.96,921 112.706,922 374.708,923 70.891,924 17.65,925 53.629,926 80.588,927 70.699,928 44.53,929 20.474,930 270.735,932 270.735,933 168.637,934 118.933,937 285.695,938 50.29,939 53.683,941 91.189,942 67.972,943 9.476,945 285.695,946 159.904,947 112.706,950 270.735,951 57.15,952 58.68,953 52.807,954 118.933,955 270.735,956 174.865,957 112.706,959 0.59,960 0.345,961 0.19,962 0.1,963 24,964 12,965 0.097,966 6,967 1,968 1.1,969 4.303,970 289.601,971 0.1,972 20,973 156,979 22.679,980 9.549,981 4.968,983 158.079,984 4.132,986 3.144,989 2.994,991 95.49,992 558.306,993 43.5,998 25.206,1000 1.632,1002 -0.296,1005 59.832,1006 67.153,1007 0.284,1008 0.665,1009 0.832,1010 0.903,1011 0.903,1012 0.903,1013 5.067,1014 1.804,1015 6.004,1016 5.55,1017 4.615,1018 5.053,1019 2.069,1020 6.838,1021 4.542,1022 6.273,1023 1.639,1024 7.581,1025 5.012,1026 4.29,1027 4.966,1028 0.325,1029 7.781,1030 4.213,1031 7.589,1032 1.429,1033 9.258,1034 4.753,1035 6.232,1036 7.206,1037 2.025,1038 10.91,1039 6.115,1040 8.94,1041 1.311,1042 10.992,1043 3.768,1044 6.711,1045 7.948,1046 0.268,1047 12.717,1048 6.605,1049 10.326,1050 1,1051 12.766,1052 3.007,1053 8.156,1054 9.709,1055 2.041,1056 15.374,1057 8.018,1058 11.738,1059 0.819,1060 14.568,1061 2.188,1062 9.009,1063 10.833,1064 0.188,1065 17.545,1066 8.884,1067 13.171,1068 0.483,1069 16.392,1070 2.136,1071 10.268,1072 12.41,1073 2.087,1074 20.041,1075 10.122,1076 3.256,1077 0.113,1078 18.234,1079 1.121,1080 11.294,1081 13.711,1082 0.125,1083 22.358,1084 11.155,1085 3.146,1086 11.258,1087 20.09,1088 0.285,1089 12.485,1090 15.212,1091 2.152,1092 24.797,1093 12.332,1094 2.629,1095 10.906,1096 21.957,1097 4.332,1098 13.588,1099 16.593,1100 0.082,1101 27.17,1102 13.436,1103 2.421,1104 7.539,1105 23.834,1106 4.111,1107 14.757,1108 18.064,1109 2.229,1110 29.589,1111 14.595,1112 2.293,1113 7.378,1114 25.719,1115 3.258,1116 15.894,1117 19.481,1118 0.054,1119 31.984,1120 15.728,1121 2.109,1122 6.677,1123 27.609,1124 2.903,1125 17.057,1126 20.94,1127 2.315,1128 34.397,1129 16.883,1130 1.917,1131 5.747,1132 29.505,1133 2.626,1134 18.209,1135 22.374,1136 0.035,1137 36.8,1138 18.029,1139 14279,1140 24393,1141 22.887,1142 37.915,1143 53.6,1144 55.464,1145 55.242,1146 52.785,1147 52.738,1148 64.783,1149 7.553,1150 154.651,1151 50.627,1152 5.619,1153 5.668,1154 6.647,1155 5.349,1156 5.256,1157 7.332,1158 2.117,1159 18.421,1160 5.22,1161 18.061,1162 1.531,1163 1.585,1164 1.578,1165 1.508,1166 1.507,1167 1.851,1168 0.216,1169 4.419,1170 1.446,1171 4.086,1172 4.116,1173 4.051,1174 3.991,1175 8.201,1176 4.002,1177 3.94,1178 3.971,1179 3.904,1180 3.84,1181 7.431,1182 3.85,1183 3.828,1184 3.888,1185 3.711,1186 3.614,1187 7.427,1188 3.629,1189 3.59,1190 3.647,1191 3.481,1192 3.377,1193 6.449,1194 3.392,1195 3.465,1196 3.49,1197 3.409,1198 3.317,1199 4.819,1200 3.329,1201 3.241,1202 3.3,1203 3.157,1204 3.024,1205 4.647,1206 3.008,1207 3.202,1208 3.284,1209 2.989,1210 2.947,1211 4.623,1212 2.985,1213 3.111,1214 3.206,1215 2.879,1216 2.941,1217 4.083,1218 2.91,1219 0.132,1220 0.105,1221 0.196,1222 0.121,1223 0.093,1224 4.619,1225 0.124,1226 3.668,1227 0.03,1228 6.845,1229 0.322,1230 4.246,1231 0.092,1232 3.256,1233 4.332,1234 1.058,1235 11.258,1236 3.22,1237 1.891,1238 1.872,1239 1.97,1240 2.002,1241 1.274,1242 1.995,1243 1.766,1244 1.718,1245 1.966,1246 1.97,1247 1.114,1248 1.97,1249 1.708,1250 1.672,1251 1.852,1252 1.871,1253 1.06,1254 1.861,1255 1.644,1256 1.598,1257 1.794,1258 1.835,1259 0.983,1260 1.823,1261 1.5,1262 1.443,1263 1.75,1264 1.723,1265 0.873,1266 1.734,1267 1.346,1268 1.302,1269 1.545,1270 1.582,1271 0.825,1272 1.56,1273 1.153,1274 1.064,1275 1.513,1276 1.418,1277 0.612,1278 1.429,1279 1.094,1280 1.024,1281 1.382,1282 1.376,1283 0.551,1284 1.409,1285 4.263,1287 5.602,1288 3.045,1289 7.119,1290 5.533,1291 8.718,1292 7.703,1293 10.363,1295 3.56,1297 13.696,1300 10.286,1301 3.421,1303 5.511,1304 5.301,1306 -0.688,1307 2.102,1312 36.65,1313 98.652,1314 230.856,1315 288.811,1316 313.566,1317 313.566,1318 313.566,1319 82.082,1320 7.81,1321 110.45,1322 110.45,1323 22,1324 12.767,1325 3.907,1326 3.248,1327 52.053,1328 148,1329 158,1330 0.169,1331 222.762,1332 399.33,1333 535.299,1334 29143,1335 1.7,1336 22.828,1337 0.713,1338 0.566,1339 21.957,1340 18.127,1341 15.329,1342 0.438,1343 0.303,1344 10.421,1345 14.566,1346 10.17,1347 8.35,1348 14.936,1349 10.617,1350 14.264,1351 0.285,1352 0.163,1353 13.63,1354 8.143,1355 11.755,1356 0.178,1357 0.088,1358 11.413,1359 5.827,1360 10.057,1361 0.114,1362 0.047,1363 9.845,1364 4.152,1365 7.72,1366 0.075,1367 0.025,1368 7.391,1369 2.626,1370 0.27,1371 97.458,1372 0.209,1373 30.254,1374 0.45,1375 170,1376 578.111,1377 191.152,1378 521.376,1379 690.62,1380 486,1381 201,1382 484.825,1383 221.263,1384 482.895,1385 710.76,1386 454,1387 6.511} {0 CHEMBL17370,1 1.559,2 9.923,3 4.996,4 24.957,5 104.37,6 8.606,7 0.793,8 3.846,9 3.947,10 3.591,11 3.535,12 5.026,13 3.488,14 4.306,15 4.44,16 3.914,17 3.897,18 5.471,19 3.832,20 4.491,21 4.659,22 3.937,23 3.967,24 5.63,25 3.891,26 4.526,27 4.716,28 3.848,29 3.926,30 5.616,31 3.848,32 4.561,33 4.785,34 3.823,35 3.931,36 5.555,37 3.848,38 4.484,39 4.68,40 3.87,41 3.926,42 5.571,43 3.841,44 4.458,45 4.629,46 3.832,47 3.942,48 5.593,49 3.834,50 4.553,51 4.79,52 3.648,53 3.839,54 5.612,55 3.703,56 0.014,57 0.635,58 6.697,59 3.602,60 5.486,61 4.236,62 0.076,63 1.039,64 14.767,65 6.505,66 12.715,67 7.341,68 0.123,69 1.26,70 17.923,71 7.772,72 25.549,73 8.947,74 0.17,75 1.291,76 18.74,77 7.564,78 28.229,79 8.808,80 0.204,81 1.261,82 19.303,83 7.717,84 25.311,85 9.953,86 0.217,87 1.208,88 17.624,89 7.379,90 25.713,91 9.637,92 0.106,93 1.172,94 16.156,95 7.839,96 18.448,97 9.818,98 0.17,99 1.281,100 20.731,101 8.701,102 33.484,103 10.952,104 6,105 40,106 0.268,107 0.559,108 0.698,109 0.792,110 0.809,111 0.809,112 3.305,113 0.97,114 -5.8,115 -5.66,116 -5.27,119 50,124 1,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 11,188 6,193 5,196 7,200 6,205 4,208 7,216 1,218 2,221 14,224 1,225 2,230 1,233 18,239 3,247 12,253 4,261 6,266 2,274 4,278 1030,279 18.024,280 18.024,281 18.024,282 18.024,283 18.024,284 15.368,285 3.956,286 10.7,287 18.548,288 14.274,289 14.274,290 14.274,291 14.274,292 14.274,293 10.318,294 2.018,295 5.044,296 14.991,297 3.833,298 2.137,299 1.333,300 0.78,301 0.685,302 0.685,303 4.005,307 1,308 1,309 562,310 2.236,313 70.671,314 251.944,321 1.402,322 18.898,325 0.75,326 0.83,327 1,328 0.6,330 1,331 1,332 0.74,333 55,334 258,335 4.567,336 4.327,337 6.747,338 4.171,339 3.203,340 4.3,341 2.95,342 11.08,343 3.102,344 4.128,345 3.206,346 6.081,347 3.734,348 2.755,349 3.735,351 8.835,352 2.695,353 3.977,354 2.896,355 5.772,356 3.555,357 2.574,358 3.57,360 7.837,361 2.525,362 3.754,363 2.71,364 5.297,365 3.303,366 2.379,367 3.256,369 6.77,370 2.187,371 3.574,372 2.476,373 5.052,374 3.155,375 2.213,376 2.933,378 6.062,379 2.06,380 3.209,381 2.429,382 4.673,383 2.723,384 1.774,385 2.495,387 4.879,388 1.673,389 2.885,390 1.854,391 4.205,392 2.366,393 1.435,394 2.054,396 3.569,397 1.329,398 2.513,399 1.487,400 3.91,401 2.009,402 1.065,403 1.518,405 2.918,406 1,407 2.5,408 1.169,409 3.457,410 2,411 1,412 1.5,414 2.275,415 1,416 2.5,417 1,418 3.414,419 2,420 1,421 1.5,423 2.275,424 0.998,425 2.5,426 1,427 3.414,428 1.984,429 1,430 1.5,432 2.204,433 0.983,434 2.278,435 1,436 3.247,437 1.719,438 0.796,439 1.172,441 2.136,442 0.732,443 1.644,444 0.824,445 2.804,446 1.281,447 0.477,448 0.54,450 0.734,451 0.374,452 1.134,453 0.572,454 2.601,455 0.722,456 -0.189,457 -0.238,459 -0.424,460 -0.167,461 0.828,462 0.299,463 2.364,464 0.43,465 -0.498,466 -0.624,468 -0.998,469 -0.447,470 12.819,471 0.493,472 0.516,473 0.02,474 38.75,475 1.49,476 22.5,477 0.865,478 16.25,479 0.625,480 17.694,481 0.681,482 25.581,483 0.609,484 27.004,485 1.039,486 7.547,487 0.29,488 5.194,489 0.2,490 0.061,492 0.312,495 1,497 0.624,498 0.917,499 0.682,500 0.801,501 0.567,502 0.784,503 0.714,504 1.006,505 1.053,506 1.072,507 0.601,508 0.925,509 1.048,510 1.102,511 1.003,512 1.028,513 0.965,514 1.005,515 1.066,516 1.047,517 1.032,518 0.998,519 0.885,520 1.048,521 0.685,522 0.695,523 0.693,524 0.679,525 0.45,526 0.825,527 0.5,528 0.762,529 0.694,530 0.845,531 0.484,532 0.914,533 0.56,534 1.003,535 0.902,536 1.108,537 0.697,538 1.164,539 0.958,540 0.965,541 0.885,542 0.943,543 0.963,544 1.086,545 4.5,546 0.07,547 2.889,548 1.16,549 1.426,550 1.14,551 0.375,552 0.28,553 0.326,554 0.195,555 7722,556 22824,557 2.148,558 38.1,560 13,562 2,563 1,568 1.697,569 2.053,570 3.259,571 -0.37,578 65.484,579 1.559,580 3.255,581 4.06,582 4.612,583 4.708,584 4.708,585 2.724,586 4.085,587 4.665,588 3.403,589 1105.88,590 8.122,591 13579.8,593 1,596 226.477,597 1.239,598 4.65,599 0.155,600 0.005,601 0.072,602 0.029,603 0.039,604 0.031,605 0.01,606 0.008,607 0.012,608 0.01,609 0.372,610 0.33,611 0.88,612 0.646,613 125.644,614 -0.029,615 -0.029,616 0.053,617 0.045,618 -0.061,619 0.039,620 0.003,621 -0.079,622 -0.105,623 -0.11,624 0.026,625 -0.045,626 -0.101,627 -0.115,628 -0.113,629 -0.105,630 -0.042,631 -0.097,632 -0.161,633 -0.095,634 -0.193,635 -0.132,636 -0.122,637 -0.151,638 -0.04,639 0.122,640 0.057,641 0.137,642 -0.006,643 0.121,644 0.164,645 0.082,646 0.093,647 0.021,648 0.11,649 0.038,650 0.129,651 -0.135,652 -0.077,653 -0.194,654 0.037,655 -0.209,656 -0.057,657 -0.055,658 -0.011,659 -0.025,660 -0.046,661 -0.072,662 1.928,663 5.329,664 0.885,665 23.663,666 1.002,667 1.111,668 4.569,669 20.88,670 0.736,671 3.401,672 3.714,673 4.007,674 4.277,675 4.554,676 4.682,677 4.828,678 4.963,679 5.118,680 5.142,681 5.851,682 0.698,683 361.47,684 3.401,685 4.934,686 5.79,687 6.666,688 7.544,689 8.431,690 9.32,691 10.214,692 11.11,693 12.008,694 7.1,702 1,704 2,709 12,710 2,711 1,714 8,716 23,734 1,735 42,737 23,738 2,739 29,741 45,742 21,743 20,744 4,745 8,748 4,749 4,762 20,763 1,781 1,783 16,784 3,785 1,786 5,787 1,789 1,792 3,796 1,808 1,814 1,815 3,842 4,843 1,844 1,846 1,848 1,850 26,860 1,871 1,879 12.667,880 7.96,881 5.778,882 2.352,884 3.348,885 1.457,886 1.039,887 4.659,888 10.68,889 3.726,890 4.353,891 4.984,892 5.6,893 6.178,894 6.531,895 7.012,896 7.479,897 7.957,898 8.307,899 0.857,900 40,901 9.566,903 4.061,904 7.718,905 18.268,907 14.936,909 2.218,910 57.667,913 1,914 176.567,915 180.337,916 50.357,919 14.96,920 32.22,921 148.118,922 176.567,923 65.317,924 7.19,926 94.762,927 59.441,928 57.866,929 17.717,930 185.244,932 176.567,933 198.474,934 14.96,935 32.22,937 191.527,941 39.965,942 124.938,943 33.571,944 32.22,945 191.527,946 50.357,947 180.337,950 176.567,951 60.289,952 120.048,953 16.786,954 48.531,955 176.567,956 65.317,957 180.337,959 0.574,960 0.338,961 0.181,962 0.106,963 20,964 8,965 0.089,966 4,968 1,969 3.812,970 225.159,972 23,973 110.211,975 1,979 16.713,980 7.247,981 3.485,983 48.531,984 22.009,985 8.89,986 3.425,989 6.259,991 16.786,992 422.22,993 40.5,1005 42.08,1006 46.661,1007 0.289,1008 0.604,1009 0.753,1010 0.855,1011 0.873,1012 0.873,1013 4.933,1014 1.065,1015 5.759,1016 3.569,1017 4.394,1018 5.04,1019 2.913,1020 6.561,1021 4.31,1022 6.143,1023 1,1024 7.307,1025 2.918,1026 3.892,1027 4.691,1029 7.445,1030 3.763,1031 7.443,1032 1,1033 8.956,1034 2.275,1035 5.974,1036 7.249,1037 5.027,1038 10.555,1039 5.828,1040 8.783,1041 1,1042 10.667,1043 2.275,1044 6.33,1045 7.752,1047 12.31,1048 6.14,1049 10.153,1050 0.796,1051 12.419,1052 2.204,1053 7.843,1054 9.719,1055 7.185,1056 14.934,1057 7.643,1058 11.548,1059 0.477,1060 14.199,1061 2.136,1062 8.598,1063 10.641,1065 17.049,1066 8.359,1067 12.96,1068 -0.189,1069 16.001,1070 0.734,1071 9.88,1072 12.338,1073 9.348,1074 19.517,1075 9.626,1076 3.203,1077 -0.498,1078 17.82,1079 -0.424,1080 10.833,1081 13.49,1083 21.79,1084 10.543,1085 2.755,1086 11.08,1087 19.651,1088 -0.998,1089 12.021,1090 15.052,1091 11.511,1092 24.206,1093 11.712,1094 2.574,1095 8.835,1096 21.493,1097 4.3,1098 13.073,1099 16.333,1101 26.55,1102 12.729,1103 2.379,1104 7.837,1105 23.344,1106 3.735,1107 14.229,1108 17.83,1109 13.675,1110 28.951,1111 13.859,1112 2.213,1113 6.77,1114 25.202,1115 3.57,1116 15.33,1117 19.186,1119 31.326,1120 14.927,1121 1.774,1122 6.062,1123 27.067,1124 3.256,1125 16.477,1126 20.652,1127 15.838,1128 33.725,1129 16.045,1130 1.435,1131 4.879,1132 28.937,1133 2.933,1134 17.604,1135 22.049,1137 36.114,1138 17.139,1139 7361,1140 12768,1141 19.879,1142 30.932,1143 43.748,1144 46.831,1145 44.422,1146 43.343,1147 43.344,1148 60.145,1149 5.9,1150 123.15,1151 41.317,1152 5.265,1153 6.327,1154 6.549,1155 5.206,1156 5.203,1157 7.3,1158 5.9,1159 18.235,1160 5.102,1161 9.656,1162 1.509,1163 1.615,1164 1.532,1165 1.495,1166 1.495,1167 2.074,1168 0.203,1169 4.247,1170 1.425,1171 4.088,1172 4.124,1173 4.081,1174 3.994,1175 8.201,1176 4.001,1177 3.871,1178 3.894,1179 3.942,1180 3.838,1181 5.033,1182 3.818,1183 3.829,1184 3.865,1185 3.781,1186 3.744,1187 4.841,1188 3.745,1189 3.598,1190 3.652,1191 3.636,1192 3.447,1193 4.658,1194 3.454,1195 3.192,1196 3.263,1197 3.37,1198 3.154,1199 4.514,1200 3.05,1201 2.895,1202 2.942,1203 2.849,1204 2.745,1205 3.895,1206 2.749,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.769,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.674,1218 2.715,1219 0.157,1220 0.149,1221 0.233,1222 0.144,1223 0.11,1224 4.567,1225 0.148,1226 4.327,1227 0.102,1228 6.747,1229 0.382,1230 4.171,1231 0.107,1232 3.203,1233 4.3,1234 2.95,1235 11.08,1236 3.102,1237 1.926,1238 1.902,1239 2.012,1240 2.019,1241 1.122,1242 2.018,1243 1.907,1244 1.886,1245 1.987,1246 1.982,1247 1.111,1248 1.992,1249 1.812,1250 1.78,1251 1.92,1252 1.918,1253 0.973,1254 1.924,1255 1.333,1256 1.282,1257 1.525,1258 1.555,1259 0.667,1260 1.552,1261 1.25,1262 1.211,1263 1.409,1264 1.415,1265 0.462,1266 1.459,1267 1.123,1268 1.043,1269 1.258,1270 1.349,1271 0.332,1272 1.335,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 4.078,1287 5.389,1288 2.398,1289 6.903,1290 4.727,1291 8.5,1292 6.862,1293 10.141,1295 2.052,1297 13.329,1305 1.703,1312 29.322,1313 65.484,1314 136.729,1315 170.503,1316 193.722,1317 197.722,1318 197.722,1319 35.351,1320 7.332,1321 41.57,1322 66.87,1323 23,1324 12.532,1325 4.585,1326 3.644,1327 37.756,1328 89,1329 108,1330 0.208,1331 183.147,1332 307.36,1333 438.638,1334 13117,1335 2.4,1336 17.933,1337 0.69,1338 0.574,1339 17.416,1340 14.925,1341 12.742,1342 0.439,1343 0.323,1344 8.185,1345 11.911,1346 7.848,1347 6.527,1348 12.905,1349 9.376,1350 11.166,1351 0.279,1352 0.166,1353 11.037,1354 6.66,1355 9.757,1356 0.181,1357 0.091,1358 9.839,1359 4.897,1360 7.958,1361 0.112,1362 0.045,1363 8.128,1364 3.211,1365 6.686,1366 0.071,1367 0.023,1368 6.726,1369 2.201,1370 0.318,1371 84.208,1372 0.224,1373 24.817,1374 0.597,1375 138,1376 418.595,1377 166.323,1378 412.45,1379 566.74,1380 388,1381 163,1382 406.231,1383 185.628,1384 422.983,1385 616,1386 398,1387 5.9} {0 CHEMBL1765781,1 1.538,2 14.714,3 1.371,4 1.878,5 138.684,6 7.176,7 0.308,8 4.289,9 4.426,10 3.828,11 3.791,12 5.335,13 3.773,14 4.857,15 5.053,16 4.184,17 4.205,18 5.864,19 4.16,20 5.134,21 5.372,22 4.212,23 4.343,24 6.114,25 4.255,26 5.147,27 5.394,28 4.172,29 4.316,30 6.124,31 4.226,32 5.149,33 5.395,34 4.19,35 4.337,36 6.182,37 4.243,38 5.136,39 5.381,40 4.13,41 4.336,42 6.104,43 4.22,44 5.112,45 5.374,46 4.033,47 4.231,48 6.11,49 4.113,50 4.966,51 5.22,52 3.92,53 4.062,54 6.026,55 3.965,56 0.03,57 1.046,58 14.319,59 5.491,60 8.957,61 7.893,62 0.309,63 1.682,64 27.542,65 9.129,66 29.175,67 13.689,68 0.464,69 1.99,70 38.38,71 12.701,72 52.411,73 18.864,74 0.39,75 1.943,76 39.528,77 12.776,78 60.724,79 19.077,80 0.571,81 1.96,82 39.62,83 12.898,84 82.228,85 19.237,86 0.423,87 1.925,88 38.566,89 13.849,90 53.387,91 20.249,92 0.447,93 1.763,94 38.874,95 13.134,96 69.903,97 19.394,98 0.444,99 1.512,100 33.779,101 10.601,102 66.541,103 15.704,104 11,105 54,106 0.243,107 0.599,108 0.77,109 0.845,110 0.858,111 0.858,112 3.588,113 0.941,114 -3.02,115 -3.02,116 -2.91,119 39.4,121 4,124 1,125 4,127 1,135 1,136 1,137 1,138 1,142 4,143 1,144 1,145 2,146 1,147 1,158 2,172 7,175 8,178 3,180 3,183 4,187 2,188 8,191 2,192 1,193 4,196 2,200 7,203 1,205 3,208 5,212 1,213 6,216 3,218 2,221 9,224 2,225 4,228 2,229 1,230 2,233 8,238 2,239 4,243 1,244 2,247 6,252 1,253 6,256 1,258 2,261 4,265 2,266 5,269 3,271 1,274 2,278 2322,279 24.11,280 24.11,281 24.11,282 24.11,283 24.11,284 22.074,285 35.476,286 14.211,287 24.581,288 19.202,289 19.202,290 19.202,291 19.202,292 19.202,293 15.954,294 47.942,295 6.676,296 19.915,297 4.507,298 2.261,299 1.174,300 0.701,301 0.617,302 0.617,303 4.295,308 1,309 1136,310 3.317,313 212.996,314 368.107,321 2.31,322 31.594,325 1,326 0.67,327 1,328 1,329 0.5,330 1,331 1,332 0.88,333 75.5,334 515,335 4.376,336 3.654,337 6.519,338 4.018,339 3.061,340 3.919,341 1.058,342 10.253,343 2.961,344 4.256,345 3.488,346 6.279,347 3.972,348 3,349 3.806,350 1.058,351 9.528,352 2.89,353 4.084,354 3.292,355 6.071,356 3.78,357 2.796,358 3.499,359 0.8,360 8.778,361 2.745,362 3.958,363 2.895,364 5.861,365 3.596,366 2.618,367 3.237,368 0.8,369 8.054,370 2.554,371 3.627,372 2.824,373 5.468,374 3.442,375 2.504,376 2.914,377 0.4,378 7.258,379 2.346,380 3.574,381 2.473,382 5.271,383 3.229,384 2.269,385 2.657,387 6.642,388 2.167,389 3.289,390 2.301,391 5.076,392 3.062,393 2.074,394 2.354,396 5.947,397 2.042,398 2.96,399 2.018,400 4.385,401 2.551,402 1.581,403 2.058,405 4.258,406 1.525,407 2.94,408 1.84,409 4.297,410 2.429,411 1.467,412 1.984,414 3.932,415 1.406,416 2.718,417 1.623,418 4.039,419 2.323,420 1.345,421 1.662,423 3.33,424 1.312,425 2.606,426 1.41,427 3.829,428 2.196,429 1.198,430 1.614,432 2.913,433 1.186,434 2.5,435 1.23,436 3.483,437 2.029,438 1.106,439 1.5,441 2.54,442 1.018,443 2.343,444 1.109,445 3.446,446 2,447 1,448 1.337,450 2.317,451 1,452 2,453 1,454 3.414,455 1.972,456 1,457 1,459 2.275,460 0.97,461 1.945,462 0.976,463 3.335,464 1.782,465 0.81,466 0.896,468 2.088,469 0.784,470 16.467,471 0.47,472 0.742,473 0.021,474 43,475 1.229,476 19,477 0.543,478 24,479 0.686,480 31.971,481 0.913,482 38.133,483 0.578,484 34.673,485 0.991,486 8.33,487 0.238,488 8.772,489 0.251,490 0.071,492 0.322,497 0.802,498 1.514,499 0.817,500 1.159,501 0.539,502 1.007,503 0.847,504 1.192,505 0.928,506 1.013,507 0.519,508 0.973,509 0.881,510 1.005,511 0.98,512 1.03,513 0.716,514 1.017,515 1.057,516 1.059,517 0.949,518 1,519 1.042,520 0.966,521 0.893,522 0.929,523 0.944,524 0.938,525 0.805,526 0.942,527 0.668,528 1.009,529 0.955,530 1.125,531 0.678,532 1.091,533 0.868,534 0.968,535 0.895,536 1.019,537 1.023,538 0.978,539 1.191,540 0.997,541 0.961,542 0.987,543 1.454,544 0.956,545 6.5,546 0.166,547 4,548 1.91,549 1.658,550 1.223,551 0.721,552 0.517,553 0.375,554 0.247,555 20779,556 47527,557 2.141,558 47,560 17,561 1,562 2,563 3,565 8,568 1.764,569 2.039,570 3.832,571 0.82,578 101.487,579 1.538,580 3.784,581 4.87,582 5.343,583 5.427,584 5.427,585 3.283,586 4.708,587 5.1,588 4.019,589 2391.46,590 8.935,591 38833.3,596 398.93,597 1.271,598 5.076,599 0.167,600 0.005,601 0.074,602 0.036,603 0.033,604 0.024,605 0.015,606 0.012,607 0.01,608 0.008,609 0.382,610 0.33,611 0.75,612 0.597,613 192.323,614 -0.051,615 -0.249,616 0.06,617 -0.066,618 -0.001,619 0.001,620 0.031,621 -0.026,622 0.006,623 -0.002,624 0.088,625 0.001,626 0.04,627 0.032,628 -0.013,629 -0.037,630 0.096,631 -0.033,632 -0.062,633 -0.072,634 0.034,635 -0.008,636 -0.013,637 0.023,638 0.079,639 0.073,640 0.036,641 0.053,642 0.15,643 0.044,644 0.138,645 -0.022,646 -0.001,647 -0.096,648 0.114,649 -0.074,650 0.099,651 -0.046,652 0.094,653 -0.013,654 0.084,655 0.031,656 0.009,657 -0.065,658 0.052,659 -0.008,660 -0.018,661 0.023,662 2.043,663 5.919,664 0.8,665 42.429,666 1,667 1.135,668 1.787,669 3.193,670 0.653,671 3.689,672 4.007,673 4.29,674 4.533,675 4.71,676 4.804,677 4.942,678 5.024,679 5.124,680 5.187,681 8.574,682 0.62,683 473.64,684 3.689,685 5.231,686 6.084,687 6.956,688 7.822,689 8.696,690 9.567,691 10.443,692 11.316,693 12.193,694 10.6,697 1,699 1,700 1,701 2,704 2,709 6,710 2,714 4,716 12,723 1,728 1,730 1,735 66,737 16,738 1,739 39,741 70,742 26,743 10,744 2,745 4,746 6,748 5,749 5,757 5,760 5,762 16,763 10,767 4,772 2,774 2,776 4,783 31,784 9,785 3,786 9,792 7,796 1,797 2,805 1,811 2,814 2,815 3,828 1,833 2,834 1,838 1,842 5,846 1,850 35,856 8,858 3,861 1,862 2,872 3,875 2,879 17.167,880 11.883,881 7.722,882 4.16,884 2.768,885 1.333,886 0.998,887 7.234,888 11.092,889 3.912,890 4.431,891 4.952,892 5.436,893 5.922,894 6.132,895 6.459,896 6.686,897 6.971,898 7.224,899 0.9,900 53,901 13.008,903 5.593,904 7.676,905 25.181,907 21.097,909 2.176,910 76.167,914 329.591,915 127.859,916 93.852,918 50.29,921 127.859,922 379.881,923 93.852,924 8.396,925 63.63,926 47.381,927 137.58,928 36.228,929 14.099,930 294.278,932 329.591,933 221.711,934 50.29,937 235.422,938 144.459,941 78.558,942 79.338,943 63.815,945 329.591,946 144.142,947 127.859,950 329.591,951 44.94,952 89.169,953 54.032,954 83.861,955 329.591,956 144.142,957 127.859,959 0.579,960 0.345,961 0.184,962 0.094,963 26,964 11,965 0.1,966 7,968 1,969 4.693,970 328.939,972 28,973 171.525,979 23.679,980 10.693,981 5.455,983 144.142,984 10.894,985 8.595,989 2.846,991 54.032,992 601.592,993 49,998 25.289,1000 3.173,1002 0.11,1005 65.97,1006 74.889,1007 0.254,1008 0.626,1009 0.806,1010 0.884,1011 0.898,1012 0.898,1013 5.165,1014 1.581,1015 6.057,1016 5.947,1017 4.691,1018 5.118,1019 2.044,1020 6.849,1021 4.623,1022 6.336,1023 1.467,1024 7.603,1025 4.258,1026 4.205,1027 4.796,1028 0.57,1029 7.695,1030 4.114,1031 7.625,1032 1.345,1033 9.248,1034 3.932,1035 6.271,1036 7.174,1037 1.945,1038 10.777,1039 6.133,1040 8.946,1041 1.198,1042 10.95,1043 3.33,1044 6.635,1045 7.669,1046 0.479,1047 12.447,1048 6.473,1049 10.299,1050 1.106,1051 12.688,1052 2.913,1053 8.12,1054 9.515,1055 1.97,1056 15.018,1057 7.917,1058 11.672,1059 1,1060 14.452,1061 2.54,1062 8.864,1063 10.386,1064 0.346,1065 17.026,1066 8.635,1067 13.06,1068 1,1069 16.233,1070 2.317,1071 10.116,1072 12.001,1073 2.033,1074 19.418,1075 9.85,1076 3.061,1077 0.81,1078 18.026,1079 2.275,1080 11.039,1081 13.069,1082 0.237,1083 21.578,1084 10.744,1085 3,1086 10.253,1087 19.829,1088 2.088,1089 12.193,1090 14.566,1091 2.112,1092 23.905,1093 11.864,1094 2.796,1095 9.528,1096 21.64,1097 3.919,1098 13.203,1099 15.746,1100 0.158,1101 26.136,1102 12.843,1103 2.618,1104 8.778,1105 23.457,1106 3.806,1107 14.318,1108 17.179,1109 2.201,1110 28.441,1111 13.924,1112 2.504,1113 8.054,1114 25.279,1115 3.499,1116 15.37,1117 18.424,1118 0.104,1119 30.708,1120 14.944,1121 2.269,1122 7.258,1123 27.105,1124 3.237,1125 16.471,1126 19.821,1127 2.296,1128 33.008,1129 16.011,1130 2.074,1131 6.642,1132 28.935,1133 2.914,1134 17.545,1135 21.106,1136 0.068,1137 35.293,1138 17.052,1139 19236,1140 29440,1141 26.641,1142 43.086,1143 58.506,1144 60.281,1145 59.103,1146 58.071,1147 58.072,1148 71.459,1149 8.233,1150 164.97,1151 56.112,1152 5.376,1153 5.654,1154 6.135,1155 5.086,1156 5.061,1157 6.919,1158 2.117,1159 17.079,1160 4.961,1161 13.921,1162 1.5,1163 1.546,1164 1.515,1165 1.489,1166 1.489,1167 1.832,1168 0.211,1169 4.23,1170 1.439,1171 4.028,1172 4.073,1173 3.971,1174 3.916,1175 7.434,1176 3.922,1177 3.933,1178 3.98,1179 3.885,1180 3.805,1181 7.424,1182 3.821,1183 3.85,1184 3.904,1185 3.75,1186 3.713,1187 5.006,1188 3.712,1189 3.74,1190 3.799,1191 3.672,1192 3.58,1193 4.725,1194 3.58,1195 3.69,1196 3.742,1197 3.578,1198 3.525,1199 4.52,1200 3.546,1201 3.333,1202 3.416,1203 3.245,1204 3.115,1205 4.368,1206 3.138,1207 3.258,1208 3.319,1209 3.124,1210 3.006,1211 4.234,1212 3.023,1213 3.148,1214 3.24,1215 2.936,1216 2.97,1217 4.184,1218 2.95,1219 0.112,1220 0.094,1221 0.167,1222 0.103,1223 0.078,1224 4.376,1225 0.1,1226 3.654,1227 0.027,1228 6.519,1229 0.263,1230 4.018,1231 0.076,1232 3.061,1233 3.919,1234 1.058,1235 10.253,1236 2.961,1237 1.925,1238 1.899,1239 2.02,1240 2.051,1241 1.295,1242 2.037,1243 1.865,1244 1.832,1245 1.943,1246 2.005,1247 1.211,1248 1.995,1249 1.673,1250 1.61,1251 1.901,1252 1.874,1253 1.169,1254 1.878,1255 1.633,1256 1.583,1257 1.86,1258 1.841,1259 1.047,1260 1.826,1261 1.577,1262 1.507,1263 1.772,1264 1.751,1265 1.01,1266 1.793,1267 1.507,1268 1.434,1269 1.754,1270 1.711,1271 0.871,1272 1.736,1273 1.323,1274 1.254,1275 1.579,1276 1.576,1277 0.76,1278 1.581,1279 1.267,1280 1.176,1281 1.559,1282 1.541,1283 0.571,1284 1.551,1285 4.369,1287 5.687,1288 3.045,1289 7.191,1290 5.209,1291 8.776,1292 7.125,1293 10.405,1295 1.759,1301 9.582,1303 8.358,1306 0.526,1307 5.033,1312 40.901,1313 101.487,1314 249.737,1315 321.42,1316 352.665,1317 358.175,1318 358.175,1319 61.712,1320 8.323,1321 106.25,1322 106.25,1323 28,1324 12.732,1325 4.087,1326 3.459,1327 52.469,1328 182,1329 167,1330 0.138,1331 249.483,1332 442.94,1333 600.498,1334 58755,1336 24.2,1337 0.691,1338 0.57,1339 24.2,1340 19.958,1341 17.102,1342 0.439,1343 0.314,1344 12.06,1345 16.425,1346 11.826,1347 9.781,1348 17.102,1349 12.238,1350 15.14,1351 0.28,1352 0.17,1353 15.14,1354 9.169,1355 13.2,1356 0.183,1357 0.095,1358 13.2,1359 6.844,1360 10.805,1361 0.117,1362 0.054,1363 10.805,1364 4.977,1365 8.264,1366 0.075,1367 0.028,1368 8.264,1369 3.049,1370 0.223,1371 107.243,1372 0.194,1373 32.746,1374 0.361,1375 186,1376 507.05,1377 203.917,1378 492.275,1379 677.36,1380 462,1381 219,1382 502.118,1383 238.168,1384 508.188,1385 743.88,1386 479,1387 6} {0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,119 41.5,121 5,122 1,127 1,142 1,143 2,145 1,146 1,148 1,151 2,158 1,161 1,166 1,172 6,174 1,175 8,178 1,180 2,183 7,188 6,196 3,199 3,200 8,203 1,205 1,208 4,212 1,213 6,221 2,224 2,225 5,228 2,233 4,239 2,247 4,252 1,253 5,258 2,261 4,266 3,271 2,274 2,278 634,279 16.215,280 16.215,281 16.215,282 16.215,283 16.215,284 14.344,285 6.822,286 9.756,287 16.506,288 12.839,289 12.839,290 12.839,291 12.839,292 12.839,293 10.007,294 4.471,295 4.518,296 13.317,297 3.904,298 1.625,299 0.78,300 0.537,301 0.537,302 0.537,303 3.888,306 1,307 1,308 1,309 419,310 2.828,313 170.596,314 59.764,317 89.897,321 1.338,322 15.978,323 1,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 49,334 189,335 4.587,336 4.046,337 6.708,338 4.141,339 3.169,340 4.516,341 2.308,342 10.904,343 3.079,344 4.226,345 3.197,346 6.498,347 3.961,348 2.991,349 3.803,351 10.176,352 2.904,353 3.822,354 3.047,355 5.787,356 3.498,357 2.526,358 3.076,360 7.9,361 2.452,362 3.452,363 2.526,364 5.228,365 3.085,366 2.119,367 2.582,369 6.277,370 2.044,371 3.369,372 2.156,373 4.594,374 2.625,375 1.661,376 2.322,378 4.488,379 1.598,380 3.048,381 1.721,382 4.13,383 2.479,384 1.548,385 2.077,387 3.65,388 1.438,389 2.878,390 1.548,391 3.907,392 2.216,393 1.255,394 1.857,396 3.132,397 1.202,398 2.5,399 1.345,400 3.404,401 2.076,402 1.09,403 1.5,405 2.231,406 1.073,407 2.395,408 1.107,409 3.312,410 1.947,411 1,412 1.287,414 2.201,415 0.945,416 2.169,417 1,418 3.28,419 1.666,420 0.73,421 1.035,423 1.733,424 0.681,425 1.922,426 0.737,427 3.122,428 1.618,429 0.618,430 0.652,432 1.372,433 0.618,434 1.735,435 0.618,436 3,437 1.389,438 0.447,439 0.618,441 1.129,442 0.42,443 1.618,444 0.443,445 2.786,446 1.273,447 0.315,448 0.42,450 0.628,451 0.301,452 0.902,453 0.204,454 2.429,455 0.402,456 -0.539,457 -0.751,459 -1.225,460 -0.505,461 0.693,462 -0.551,463 2.188,464 0.209,465 -0.743,466 -1.039,468 -1.489,469 -0.705,470 10.9,471 0.474,472 0.393,473 0.017,474 30.5,475 1.326,476 15,477 0.652,478 15.5,479 0.674,480 18.157,481 0.789,482 23.9,483 0.583,484 18.79,485 0.817,486 5.394,487 0.235,488 5.971,489 0.26,490 0.037,492 0.312,497 0.766,498 1.309,499 0.758,500 1.077,501 0.43,502 0.944,503 0.858,504 1.159,505 0.92,506 1.086,507 0.486,508 1.025,509 0.927,510 1.137,511 0.95,512 1.069,513 0.691,514 1.023,515 0.927,516 0.81,517 0.856,518 0.799,519 0.718,520 0.814,521 0.971,522 1.162,523 1.026,524 1.129,525 0.966,526 1.093,527 1.158,528 0.826,529 1.069,530 0.89,531 1.744,532 0.954,533 1.165,534 0.874,535 1.085,536 0.927,537 1.718,538 0.983,539 0.894,540 1.064,541 1.019,542 1.098,543 0.791,544 1.08,545 3,546 0.037,547 2.667,548 1.215,549 0.733,550 0.647,551 0.376,552 0.172,553 0.136,554 0.096,555 5727,556 13930,557 2.196,558 43.9,559 8,560 2,561 2,562 2,563 1,564 2,565 1,568 1.66,569 2.123,570 3.049,571 -0.284,572 1,573 1,575 1,578 59.604,579 1.454,580 3.732,581 4.577,582 4.821,583 4.821,584 4.821,585 2.392,586 3.762,587 4.498,588 3.233,589 817.862,590 7.757,591 9238.71,592 1,593 1,595 1,596 219.66,597 1.121,598 4.483,599 0.115,600 0.004,601 0.074,602 0.037,603 0.02,604 0.02,605 0.016,606 0.01,607 0.006,608 0.005,609 0.308,610 0.33,611 1,612 0.787,613 106.314,614 0.081,615 -0.125,616 0.074,617 -0.046,618 0.165,619 0.003,620 0.035,621 -0.064,622 -0.03,623 -0.078,624 0.037,625 -0.066,626 -0.043,627 -0.179,628 0.016,629 -0.073,630 0.018,631 -0.029,632 0.102,633 0.166,634 0.135,635 0.167,636 0.055,637 0.157,638 -0.037,639 -0.184,640 -0.064,641 -0.146,642 0.006,643 -0.115,644 0.014,645 0.129,646 -0.044,647 0.033,648 -0.207,649 -0.006,650 -0.215,651 0.088,652 -0.107,653 0.053,654 -0.279,656 -0.033,657 -0.032,658 -0.1,659 -0.089,660 0.035,661 -0.101,662 1.167,663 3.18,664 0.826,665 17.149,666 0.998,667 1.134,668 2.291,669 5.25,670 0.673,671 3.296,672 3.611,673 3.951,674 4.263,675 4.357,676 4.489,677 4.625,678 4.71,679 4.71,680 4.787,681 5.368,682 0.641,683 306.41,684 3.296,685 4.828,686 5.7,687 6.589,688 7.478,689 8.373,690 9.267,691 10.164,692 11.061,693 11.959,694 14.6,702 2,703 1,704 3,708 2,709 5,710 3,711 1,714 2,715 1,716 15,735 41,737 16,739 26,741 44,742 17,743 9,748 4,749 5,757 4,758 1,760 6,761 1,762 9,763 7,764 1,779 1,780 1,783 18,784 4,785 1,786 6,792 6,796 0.75,806 1,809 1,810 1,814 3,815 1,818 1,824 1,842 3,850 23,856 5,861 2,864 1,868 1,870 1,879 10.833,880 7.333,881 5.139,882 2.704,884 3.068,885 1.427,886 1.004,887 3.749,888 10.256,889 3.597,890 4.167,891 4.804,892 5.449,893 5.872,894 6.293,895 6.75,896 7.161,897 7.331,898 7.705,899 1,900 33,901 8.479,903 3.648,904 7.623,905 16.561,907 14.166,909 2.123,910 48.833,913 1,914 200.109,915 84.742,916 99.856,921 84.742,922 200.109,923 99.856,925 12.673,926 27.571,927 92.093,928 75.803,929 23.542,930 153.024,932 200.109,933 184.598,937 188.338,938 11.771,941 84.432,942 49.931,943 50.234,945 200.109,946 99.856,947 84.742,950 200.109,951 22.903,952 47.014,953 33.387,954 81.293,955 200.109,956 99.856,957 84.742,959 0.568,960 0.35,961 0.21,962 0.101,963 19,964 7,965 0.091,966 4,967 1,968 1.105,969 3.584,970 191.674,971 0.105,972 19,973 100.042,979 14.267,980 6.043,981 2.59,982 1.817,983 81.293,984 9.272,985 13.183,986 3.103,989 1.85,990 1.967,991 16.786,992 384.706,993 35.5,1005 40.912,1006 46.481,1007 0.271,1008 0.697,1009 0.854,1010 0.9,1011 0.9,1012 0.9,1013 4.834,1014 1.09,1015 5.666,1016 3.132,1017 4.29,1018 4.852,1019 2.456,1020 6.503,1021 4.221,1022 6.03,1023 1,1024 7.231,1025 2.231,1026 3.761,1027 4.543,1029 7.455,1030 3.677,1031 7.332,1032 0.73,1033 8.903,1034 2.201,1035 5.889,1036 7.063,1037 4.057,1038 10.603,1039 5.76,1040 8.675,1041 0.618,1042 10.642,1043 1.733,1044 6.312,1045 7.752,1047 12.43,1048 6.168,1049 10.056,1050 0.447,1051 12.425,1052 1.372,1053 7.808,1054 9.634,1055 5.715,1056 15.058,1057 7.624,1058 11.462,1059 0.315,1060 14.236,1061 1.129,1062 8.636,1063 10.767,1065 17.205,1066 8.432,1067 12.888,1068 -0.539,1069 16.067,1070 0.628,1071 9.902,1072 12.41,1073 7.386,1074 19.668,1075 9.663,1076 3.169,1077 -0.743,1078 17.911,1079 -1.225,1080 10.903,1081 13.744,1083 21.942,1084 10.64,1085 2.991,1086 10.904,1087 19.764,1088 -1.489,1089 12.082,1090 15.294,1091 9.058,1092 24.345,1093 11.787,1094 2.526,1095 10.176,1096 21.625,1097 4.516,1098 13.157,1099 16.718,1101 26.673,1102 12.836,1103 2.119,1104 7.9,1105 23.491,1106 3.803,1107 14.306,1108 18.234,1109 10.731,1110 29.055,1111 13.954,1112 1.661,1113 6.277,1114 25.362,1115 3.076,1116 15.414,1117 19.698,1119 31.406,1120 15.034,1121 1.548,1122 4.488,1123 27.237,1124 2.582,1125 16.552,1126 21.202,1127 12.404,1128 33.782,1129 16.143,1130 1.255,1131 3.65,1132 29.114,1133 2.322,1134 17.675,1135 22.686,1137 36.144,1138 17.238,1139 5381,1140 8528,1141 18.087,1142 27.603,1143 39.944,1144 41.503,1145 39.513,1146 38.945,1147 38.937,1148 51.489,1149 4.616,1150 111.644,1151 37.51,1152 5.535,1153 6.046,1154 6.468,1155 5.219,1156 5.169,1157 7.516,1158 4.616,1159 18.123,1160 5.04,1161 6.146,1162 1.536,1163 1.596,1164 1.52,1165 1.498,1166 1.498,1167 1.98,1168 0.178,1169 4.294,1170 1.443,1171 4.127,1172 4.174,1173 4.094,1174 3.992,1175 6.818,1176 4.012,1177 3.958,1178 4.016,1179 3.884,1180 3.825,1181 5.142,1182 3.825,1183 3.765,1184 3.828,1185 3.661,1186 3.603,1187 4.892,1188 3.616,1189 3.473,1190 3.534,1191 3.382,1192 3.327,1193 4.472,1194 3.33,1195 3.275,1196 3.356,1197 3.202,1198 3.035,1199 4.253,1200 3.067,1201 2.972,1202 3.048,1203 2.871,1204 2.787,1205 3.92,1206 2.795,1207 2.869,1208 2.979,1209 2.675,1210 2.671,1211 3.676,1212 2.635,1213 2.775,1214 2.857,1215 2.583,1216 2.544,1217 3.345,1218 2.571,1219 0.176,1220 0.156,1221 0.258,1222 0.159,1223 0.122,1224 4.587,1225 0.174,1226 4.046,1227 0.089,1228 6.708,1229 0.419,1230 4.141,1231 0.118,1232 3.169,1233 4.516,1234 2.308,1235 10.904,1236 3.079,1237 1.858,1238 1.826,1239 1.968,1240 2.003,1241 1.375,1242 1.982,1243 1.778,1244 1.726,1245 1.888,1246 1.952,1247 1.211,1248 1.943,1249 1.577,1250 1.507,1251 1.86,1252 1.751,1253 1.022,1254 1.793,1255 1.473,1256 1.402,1257 1.64,1258 1.708,1259 0.853,1260 1.697,1261 1.367,1262 1.305,1263 1.608,1264 1.568,1265 0.604,1266 1.585,1267 1.315,1268 1.271,1269 1.459,1270 1.456,1271 0.55,1272 1.453,1273 1.145,1274 1.058,1275 1.287,1276 1.442,1277 0.259,1278 1.414,1279 0.868,1280 0.789,1281 1.089,1282 1.123,1283 0.094,1284 1.12,1285 3.97,1287 5.283,1288 3.434,1289 6.788,1290 5.638,1291 8.389,1292 7.609,1293 10.043,1301 5.413,1306 0.722,1310 9.18,1311 2.326,1312 26.289,1313 59.604,1314 153.03,1315 187.66,1316 197.66,1317 197.66,1318 197.66,1319 30.916,1320 7.188,1321 83.18,1322 83.18,1323 21,1324 12.483,1325 4.087,1326 3.392,1327 31.766,1328 76,1329 62,1330 0.213,1331 161.613,1332 265.4,1333 386.096,1334 11900,1336 15.648,1337 0.68,1338 0.557,1339 15.648,1340 12.813,1341 11.365,1342 0.437,1343 0.31,1344 7.965,1345 10.956,1346 7.841,1347 6.475,1348 11.365,1349 8.061,1350 9.78,1351 0.272,1352 0.171,1353 9.78,1354 6.145,1355 8.732,1356 0.171,1357 0.094,1358 8.732,1359 4.813,1360 7.808,1361 0.112,1362 0.052,1363 7.808,1364 3.656,1365 5.501,1366 0.071,1367 0.026,1368 5.501,1369 1.983,1370 0.326,1371 70.932,1372 0.235,1373 22.279,1374 0.606,1375 124,1376 324.558,1377 134.102,1378 323.385,1379 451.16,1380 304,1381 149,1382 343.124,1383 160.435,1384 347.666,1385 506.56,1386 328,1387 7.051} {0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,119 43.5,120 1,124 2,125 3,135 2,142 8,143 2,144 6,145 2,146 2,158 2,172 5,175 11,178 1,180 6,183 5,187 1,188 9,191 1,193 5,196 4,199 2,200 4,203 2,205 2,208 8,212 2,213 6,216 3,217 1,218 2,221 9,225 11,228 1,233 12,238 1,239 8,242 2,244 3,247 8,252 2,253 8,256 1,258 4,261 7,265 3,266 5,271 2,274 2,278 3800,279 27.101,280 27.101,281 27.101,282 27.101,283 27.101,284 23.885,285 36.005,286 16.333,287 27.862,288 21.167,289 21.167,290 21.167,291 21.167,292 21.167,293 16.155,294 48.297,295 7.659,296 22.361,297 4.469,298 2.092,299 0.815,300 0.41,301 0.41,302 0.41,303 4.412,304 1,308 1,309 1326,310 4.583,314 520.413,318 202.84,321 2.538,322 40.681,325 0.75,326 0.5,327 0.67,328 0.7,329 0.5,330 0.67,331 0.5,332 0.61,333 86.333,334 630,335 4.64,336 4.073,337 6.741,338 4.181,339 3.204,340 4.576,341 2.035,342 11.049,343 3.129,344 4.25,345 3.496,346 6.168,347 3.816,348 2.883,349 3.896,350 1.151,351 9.17,352 2.703,353 4.14,354 3.298,355 6.069,356 3.727,357 2.778,358 3.663,359 1.058,360 8.761,361 2.599,362 3.892,363 3.22,364 5.639,365 3.468,366 2.509,367 3.442,368 0.916,369 7.373,370 2.404,371 3.79,372 2.953,373 5.344,374 3.363,375 2.374,376 3.134,377 0.86,378 6.969,379 2.345,380 3.629,381 2.787,382 5.227,383 3.179,384 2.239,385 2.897,386 0.4,387 6.516,388 2.107,389 3.553,390 2.644,391 5.063,392 3.114,393 2.168,394 2.842,395 0.172,396 6.092,397 2.037,398 3.309,399 2.445,400 4.806,401 3.064,402 2.106,403 2.605,405 5.27,406 1.986,407 3.217,408 2.227,409 4.641,410 2.779,411 1.815,412 2.238,414 5.093,415 1.744,416 3.004,417 2.123,418 4.281,419 2.503,420 1.564,421 2.107,423 3.896,424 1.473,425 2.939,426 2.053,427 4.184,428 2.36,429 1.439,430 1.962,432 3.72,433 1.314,434 2.83,435 1.723,436 3.636,437 2.339,438 1.414,439 1.766,441 3.122,442 1.232,443 2.712,444 1.594,445 3.567,446 2.003,447 1.024,448 1.5,450 2.197,451 0.997,452 2.525,453 1.509,454 3.247,455 1.959,456 1,457 1.357,459 2.136,460 0.956,461 2.5,462 1.244,463 3.208,464 1.916,465 0.972,466 1.258,468 1.951,469 0.909,470 19.114,471 0.478,472 0.886,473 0.022,474 56,475 1.4,476 30,477 0.75,478 26,479 0.65,480 34.223,481 0.856,482 42.086,483 0.61,484 49.468,485 1.237,486 11.336,487 0.283,488 8.035,489 0.201,490 0.154,492 0.309,497 0.812,498 1.347,499 0.661,500 1.053,501 0.589,502 0.927,503 1.113,504 1.073,505 0.756,506 0.854,507 0.61,508 0.818,509 1.153,510 1.14,511 0.956,512 1.028,513 0.886,514 0.994,515 0.955,516 0.926,517 0.848,518 0.911,519 0.862,520 0.891,521 0.94,522 0.913,523 1.058,524 0.981,525 1.136,526 0.952,527 0.996,528 1.081,529 0.816,530 0.923,531 1.059,532 0.889,533 1.393,534 1.024,535 1.151,536 0.945,537 1.792,538 0.987,539 1.184,540 1.015,541 1.235,542 1.086,543 1.258,544 1.026,545 8,546 0.355,547 4,548 2.125,549 2.533,550 1.528,551 1.093,552 0.887,553 0.639,554 0.338,555 26029,556 75280,557 2.036,558 42,560 22,562 2,563 2,565 3,568 1.803,569 1.905,570 3.876,571 0.149,578 113.135,579 1.64,580 4.016,581 5.293,582 5.699,583 5.699,584 5.699,585 3.383,586 5.072,587 5.283,588 4.088,589 3188.76,590 9.348,591 56274.5,596 421.488,597 1.406,598 5.251,599 0.186,600 0.008,601 0.069,602 0.034,603 0.042,604 0.024,605 0.016,606 0.014,607 0.011,608 0.007,609 0.412,610 0.33,611 0.75,612 1.572,613 227.222,614 -0.049,615 -0.194,616 0.03,617 -0.081,618 -0.03,619 -0.017,620 -0.093,621 0.013,622 0.062,623 0.098,624 0.032,625 0.103,626 -0.029,627 -0.095,628 -0.031,629 -0.061,630 -0.027,631 -0.061,632 0.037,633 0.065,634 0.1,635 0.071,636 0.032,637 0.091,638 0.086,639 0.09,640 -0.032,641 0.024,642 -0.013,643 0.024,644 -0.027,645 -0.049,646 0.1,647 0.051,648 0.007,649 0.071,650 -0.166,651 0.017,652 -0.08,653 0.026,654 -0.18,655 -0.058,656 -0.001,657 -0.04,658 -0.028,659 -0.072,660 0.026,661 -0.049,662 1.964,663 5.613,664 0.55,665 59.85,666 1.008,667 1.124,668 1.264,669 1.598,670 0.687,671 3.784,672 4.078,673 4.317,674 4.575,675 4.852,676 4.977,677 5.13,678 5.313,679 5.447,680 5.485,681 8.962,682 0.658,683 557.1,684 3.784,685 5.313,686 6.146,687 7.013,688 7.871,689 8.749,690 9.621,691 10.505,692 11.386,693 12.276,694 8.7,697 1,701 1,702 1,703 1,704 2,708 2,709 10,710 2,714 8,716 23,718 1,728 1,733 2,734 1,735 69,737 26,738 2,739 43,741 72,742 30,743 20,744 7,745 5,746 3,748 4,749 5,750 1,754 1,761 1,762 23,763 6,767 2,772 1,774 2,776 1,783 29,784 9,785 2,786 10,787 1,792 6,796 0.75,797 3,808 2,815 4,819 1,828 1,833 2,838 1,842 3,846 3,847 1,850 40,856 3,858 2,859 2,862 1,864 1,868 1,870 1,871 1,872 4.3,875 1,877 2,879 21,880 13.443,881 9.056,882 4,884 4.651,885 1.551,886 0.969,887 10.068,888 13.085,889 4.086,890 4.659,891 5.242,892 5.83,893 6.444,894 6.803,895 7.251,896 7.731,897 8.173,898 8.415,899 0.909,900 62,901 14.727,903 6.097,904 7.811,905 27.684,907 21.684,909 2.311,910 92.444,914 317.82,915 203.989,916 103.776,917 39.149,918 47.145,921 203.989,922 404.113,923 103.776,924 25.618,925 29.301,926 94.762,927 103.565,928 125.206,930 294.278,931 39.149,932 317.82,933 307.766,934 47.145,935 39.149,937 282.506,938 82.458,941 113.317,942 141.925,943 91.672,945 317.82,946 150.921,947 243.138,950 317.82,951 48.912,952 141.6,953 52.623,954 150.924,955 317.82,956 150.921,957 243.138,959 0.567,960 0.321,961 0.174,962 0.101,963 24,964 12,965 0.153,966 11,967 1,968 1.091,969 4.906,970 386.957,971 0.091,972 22,973 208.877,979 29.007,980 13.884,981 7.791,982 1.217,983 150.921,984 17.568,985 8.696,989 4.116,991 36.022,992 711.879,993 58.5,998 12.613,1000 3.245,1002 -0.297,1005 69.52,1006 77.544,1007 0.268,1008 0.657,1009 0.867,1010 0.933,1011 0.933,1012 0.933,1013 5.312,1014 2.106,1015 6.116,1016 6.092,1017 4.762,1018 5.347,1019 2.861,1020 6.897,1021 4.66,1022 6.52,1023 1.815,1024 7.654,1025 5.27,1026 4.29,1027 5.121,1028 0.325,1029 7.743,1030 4.141,1031 7.82,1032 1.564,1033 9.291,1034 5.093,1035 6.323,1036 7.555,1037 3.77,1038 10.836,1039 6.14,1040 9.155,1041 1.439,1042 10.989,1043 3.896,1044 6.661,1045 8.168,1046 0.393,1047 12.525,1048 6.432,1049 10.52,1050 1.414,1051 12.725,1052 3.72,1053 8.154,1054 10.068,1055 5.023,1056 15.143,1057 7.899,1058 11.909,1059 1.024,1060 14.489,1061 3.122,1062 8.885,1063 11.102,1064 0.384,1065 17.206,1066 8.59,1067 13.317,1068 1,1069 16.274,1070 2.197,1071 10.155,1072 12.772,1073 6.395,1074 19.662,1075 9.836,1076 3.204,1077 0.972,1078 18.076,1079 2.136,1080 11.087,1081 14.032,1082 0.351,1083 21.898,1084 10.735,1085 2.883,1086 11.049,1087 19.891,1088 1.951,1089 12.265,1090 15.601,1091 7.802,1092 24.3,1093 11.891,1094 2.778,1095 9.17,1096 21.717,1097 4.576,1098 13.299,1099 16.981,1100 0.312,1101 26.618,1102 12.899,1103 2.509,1104 8.761,1105 23.552,1106 3.896,1107 14.443,1108 18.508,1109 9.219,1110 29.006,1111 14.022,1112 2.374,1113 7.373,1114 25.396,1115 3.663,1116 15.529,1117 19.951,1118 0.273,1119 31.362,1120 15.087,1121 2.239,1122 6.969,1123 27.247,1124 3.442,1125 16.664,1126 21.464,1127 10.639,1128 33.749,1129 16.203,1130 2.168,1131 6.516,1132 29.103,1133 3.134,1134 17.778,1135 22.94,1136 0.236,1137 36.124,1138 17.297,1139 25305,1140 43287,1141 28.433,1142 47.392,1143 64.58,1144 67.325,1145 65.003,1146 62.683,1147 62.595,1148 83.308,1149 13.185,1150 174.359,1151 59.164,1152 5.473,1153 6.073,1154 6.543,1155 5.248,1156 5.204,1157 7.576,1158 4.069,1159 18.277,1160 5.129,1161 21.907,1162 1.502,1163 1.566,1164 1.512,1165 1.458,1166 1.456,1167 1.937,1168 0.307,1169 4.055,1170 1.376,1171 4.107,1172 4.132,1173 4.095,1174 4.025,1175 7.43,1176 4.036,1177 3.92,1178 3.945,1179 3.986,1180 3.835,1181 6.82,1182 3.837,1183 3.839,1184 3.874,1185 3.799,1186 3.747,1187 5.035,1188 3.749,1189 3.752,1190 3.809,1191 3.675,1192 3.594,1193 4.96,1194 3.604,1195 3.61,1196 3.655,1197 3.546,1198 3.461,1199 4.872,1200 3.475,1201 3.479,1202 3.546,1203 3.349,1204 3.25,1205 4.609,1206 3.25,1207 3.388,1208 3.448,1209 3.326,1210 3.205,1211 4.422,1212 3.209,1213 3.247,1214 3.291,1215 3.244,1216 3.05,1217 4.416,1218 3.062,1219 0.108,1220 0.095,1221 0.157,1222 0.097,1223 0.075,1224 4.64,1225 0.106,1226 4.073,1227 0.047,1228 6.741,1229 0.257,1230 4.181,1231 0.073,1232 3.204,1233 4.576,1234 2.035,1235 11.049,1236 3.129,1237 2.044,1238 2.024,1239 2.09,1240 2.14,1241 1.241,1242 2.127,1243 1.875,1244 1.855,1245 1.973,1246 1.996,1247 1.067,1248 1.992,1249 1.818,1250 1.783,1251 1.919,1252 1.928,1253 1.046,1254 1.93,1255 1.702,1256 1.652,1257 1.902,1258 1.901,1259 1.001,1260 1.907,1261 1.553,1262 1.516,1263 1.799,1264 1.76,1265 0.936,1266 1.765,1267 1.438,1268 1.363,1269 1.673,1270 1.69,1271 0.709,1272 1.689,1273 1.371,1274 1.305,1275 1.558,1276 1.544,1277 0.638,1278 1.556,1279 1.193,1280 1.147,1281 1.448,1282 1.431,1283 0.601,1284 1.433,1285 4.466,1287 5.765,1289 7.258,1291 8.848,1293 10.495,1295 5.7,1296 6.517,1301 1.309,1303 6.183,1304 11.605,1307 1.948,1310 9.839,1311 2.187,1312 45.422,1313 113.135,1314 277.11,1315 365.224,1316 393.224,1317 393.224,1318 393.224,1319 86.834,1320 8.434,1321 112.4,1322 112.4,1323 24,1324 12.807,1325 4.755,1326 4.044,1327 73.126,1328 206,1329 248,1330 0.166,1331 286.144,1332 502.5,1333 689.95,1334 62043,1335 1.4,1336 28.485,1337 0.712,1338 0.58,1339 28.985,1340 23.197,1341 19.372,1342 0.451,1343 0.302,1344 12.423,1345 18.312,1346 12.009,1347 10.045,1348 19.66,1349 12.966,1350 17.013,1351 0.293,1352 0.162,1353 17.384,1354 9.398,1355 13.615,1356 0.184,1357 0.081,1358 13.969,1359 5.986,1360 11.259,1361 0.117,1362 0.042,1363 11.592,1364 4.067,1365 9.3,1366 0.073,1367 0.021,1368 9.503,1369 2.713,1370 0.264,1371 124.66,1372 0.188,1373 36.24,1374 0.444,1375 202,1376 636.656,1377 236.478,1378 646.965,1379 867.74,1380 604,1381 233,1382 606.662,1383 264.931,1384 627.993,1385 909.28,1386 587,1387 5} {0 CHEMBL1825138,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,119 40.4,120 1,121 2,125 2,127 2,142 3,143 3,144 4,145 2,147 1,151 1,163 1,164 1,165 1,166 1,172 3,175 8,177 1,178 1,180 2,183 7,187 1,188 7,190 1,191 1,193 1,196 3,198 1,200 6,203 1,205 1,208 9,210 1,212 2,213 3,216 1,218 3,221 5,223 3,224 2,230 1,233 7,239 5,241 2,242 2,244 4,247 4,249 3,253 7,258 2,261 4,263 1,269 1,271 2,274 1,276 2,278 1486,279 20.068,280 20.068,281 20.068,282 20.068,283 20.068,284 17.901,285 23.489,286 11.629,287 20.687,288 16.228,289 16.228,290 16.228,291 16.228,292 16.228,293 13.008,294 28.517,295 5.49,296 17.389,297 3.922,298 1.637,299 0.683,300 0.515,301 0.515,302 0.515,303 4.132,304 2,307 1,308 1,309 762,310 3,313 82.892,314 310.356,321 1.916,322 36.219,325 1,326 0.83,327 1,328 0.8,329 0.5,330 1,331 1,332 0.88,333 65.667,334 353,335 4.492,336 3.623,337 6.78,338 4.095,339 3.167,340 4.165,341 1.151,342 10.939,343 2.952,344 4.382,345 3.179,346 6.323,347 3.994,348 3.027,349 4.065,350 0.4,351 9.687,352 2.88,353 4.13,354 3.043,355 6.112,356 3.767,357 2.822,358 3.69,360 8.943,361 2.668,362 3.736,363 2.892,364 5.875,365 3.479,366 2.518,367 3.005,369 8.103,370 2.407,371 3.581,372 2.654,373 5.572,374 3.2,375 2.29,376 2.894,378 6.876,379 2.059,380 3.222,381 2.472,382 4.891,383 2.845,384 1.948,385 2.416,387 5.281,388 1.798,389 3.117,390 2.103,391 4.634,392 2.796,393 1.869,394 2.251,396 4.921,397 1.589,398 2.889,399 2.021,400 4.349,401 2.425,402 1.518,403 2.029,405 4.026,406 1.354,407 2.657,408 1.627,409 4.116,410 2.364,411 1.414,412 1.69,414 3.494,415 1.34,416 2.538,417 1.564,418 4.032,419 2.151,420 1.24,421 1.546,423 3.212,424 1.09,425 2.225,426 1.077,427 3.466,428 1.984,429 1,430 1.145,432 2.429,433 0.983,434 2.076,435 1,436 3.263,437 1.902,438 0.934,439 1,441 2.136,442 0.902,443 2,444 0.881,445 3.247,446 1.598,447 0.666,448 0.949,450 1.634,451 0.619,452 1.459,453 0.775,454 3.046,455 1.08,456 0.219,457 0.257,459 0.504,460 0.165,461 1.427,462 0.676,463 2.718,464 0.986,465 0.188,466 0.224,468 0.427,469 0.141,470 14.548,471 0.485,472 0.822,473 0.027,474 36.75,475 1.225,476 17,477 0.567,478 19.75,479 0.658,480 28.716,481 0.957,482 32.852,483 0.632,484 28.006,485 0.934,486 7.035,487 0.234,488 7.401,489 0.247,490 0.18,492 0.371,495 1,497 0.701,498 1.135,499 0.571,500 0.917,501 0.649,502 0.868,503 0.853,504 1.106,505 0.64,506 0.903,507 0.585,508 0.877,509 1.005,510 0.976,511 0.807,512 0.867,513 0.766,514 0.881,515 0.945,516 0.998,517 0.985,518 1.072,519 0.813,520 1.043,521 0.921,522 0.856,523 1.083,524 1.014,525 0.836,526 1.005,527 0.936,528 1.017,529 0.727,530 0.859,531 1.02,532 0.946,533 0.555,534 1.045,535 0.845,536 1.106,537 0.625,538 1.05,539 0.977,540 0.996,541 1.025,542 1.007,543 0.917,544 1.025,545 6,546 0.18,547 4.222,548 2.25,549 1.829,550 1.039,551 0.652,552 0.438,553 0.396,554 0.221,555 12062,556 37175,557 2.067,558 42.3,560 9,561 1,562 2,563 3,565 3,566 4,568 1.728,569 1.915,570 3.52,571 0.933,573 1,578 92.467,579 1.778,580 4.063,581 5.018,582 5.186,583 5.186,584 5.186,585 2.94,586 4.707,587 4.88,588 3.698,589 1608.53,590 8.51,591 22407.8,593 1,596 296.423,597 1.475,598 4.828,599 0.182,600 0.007,601 0.09,602 0.046,603 0.041,604 0.026,605 0.017,606 0.011,607 0.012,608 0.008,609 0.44,610 0.17,611 1,612 0.594,613 154.477,614 -0.04,615 -0.029,616 0.011,617 0.004,618 -0.063,619 0.028,620 -0.065,621 -0.082,622 0.05,623 0.021,624 0.049,625 0.044,626 0.001,627 -0.002,628 0.076,629 0.088,630 0.091,631 0.07,632 0.03,633 -0.094,634 0.057,635 -0.084,636 -0.004,637 -0.068,638 0.062,639 0.078,640 -0.087,641 -0.045,642 0.073,643 -0.029,644 -0.048,645 -0.008,646 0.019,647 0.079,648 -0.097,649 0.015,650 0.159,651 -0.124,652 0.086,653 -0.128,654 0.121,655 -0.058,656 -0.027,657 -0.018,658 -0.059,659 -0.047,660 0.044,661 -0.054,662 2.225,663 5.882,664 0.767,665 28.804,666 1.016,667 1.136,668 3.666,669 13.438,670 0.688,671 3.526,672 3.871,673 4.159,674 4.394,675 4.575,676 4.615,677 4.71,678 4.804,679 4.927,680 5.011,681 7.009,682 0.656,683 450.38,684 3.526,685 5.081,686 5.943,687 6.825,688 7.7,689 8.585,690 9.465,691 10.35,692 11.232,693 12.119,694 9.6,696 1,698 1,702 1,704 2,709 6,710 2,714 8,715 1,716 17,727 1,733 1,734 3,735 52,737 17,738 1,739 33,741 55,742 21,743 14,744 4,745 2,748 4,749 4,750 2,754 1,757 3,760 4,762 14,763 7,780 1,781 1,783 22,784 6,785 3,786 9,787 2,792 5,796 1,797 1,806 1,808 1,814 1,815 3,837 1,842 4,846 1,847 2,848 1,850 30,851 1,856 4,858 1,859 1,861 2,871 3,872 1.9,877 1,879 15.667,880 9.445,881 6.528,882 3.151,884 3.154,885 1.409,886 0.991,887 6.487,888 10.871,889 3.75,890 4.36,891 4.934,892 5.467,893 5.916,894 6.163,895 6.458,896 6.804,897 7.172,898 7.457,899 0.875,900 49,901 11.117,903 4.833,904 7.841,905 21.013,907 17.484,909 2.341,910 70.222,913 1,914 223.651,915 106.927,916 86.133,917 78.297,918 11,919 14.96,921 106.927,922 312.948,923 101.093,924 8.825,925 9.28,926 88.384,927 56.991,928 61.794,929 29.059,930 188.338,931 78.297,932 223.651,933 193.06,934 25.96,935 78.297,937 156.213,938 93.398,941 55.988,942 103.624,943 111.746,945 238.611,946 97.133,947 185.224,950 223.651,951 42.531,952 66.173,953 18.011,954 170.603,955 223.651,956 112.093,957 185.224,959 0.591,960 0.355,961 0.186,962 0.097,963 23,964 11,965 0.091,966 5,968 1,969 4.095,970 269.596,972 23,973 143.207,979 21.378,980 9.103,981 4.597,983 110.316,984 9.963,985 8.774,989 2.383,990 2.002,991 50.908,992 520.968,993 41.5,1005 52.832,1006 59.081,1007 0.312,1008 0.713,1009 0.88,1010 0.91,1011 0.91,1012 0.91,1013 5.006,1014 1.518,1015 5.943,1016 4.921,1017 4.554,1018 5.047,1019 1.378,1020 6.772,1021 4.416,1022 6.215,1023 1.414,1024 7.521,1025 4.026,1026 4.205,1027 4.902,1029 7.711,1030 3.965,1031 7.529,1032 1.24,1033 9.2,1034 3.494,1035 6.172,1036 7.234,1037 1.517,1038 10.815,1039 5.925,1040 8.879,1041 1,1042 10.935,1043 3.212,1044 6.635,1045 7.908,1047 12.566,1048 6.288,1049 10.262,1050 0.934,1051 12.707,1052 2.429,1053 8.079,1054 9.719,1055 1.732,1056 15.186,1057 7.721,1058 11.666,1059 0.666,1060 14.503,1061 2.136,1062 8.901,1063 10.762,1065 17.27,1066 8.451,1067 13.086,1068 0.219,1069 16.317,1070 1.634,1071 10.146,1072 12.359,1073 1.968,1074 19.721,1075 9.669,1076 3.167,1077 0.188,1078 18.144,1079 0.504,1080 11.131,1081 13.581,1083 21.955,1084 10.571,1085 3.027,1086 10.939,1087 19.981,1088 0.427,1089 12.298,1090 15.081,1091 2.214,1092 24.345,1093 11.697,1094 2.822,1095 9.687,1096 21.827,1097 4.165,1098 13.358,1099 16.392,1101 26.648,1102 12.681,1103 2.518,1104 8.943,1105 23.679,1106 4.065,1107 14.496,1108 17.846,1109 2.468,1110 29.02,1111 13.767,1112 2.29,1113 8.103,1114 25.537,1115 3.69,1116 15.591,1117 19.203,1119 31.358,1120 14.791,1121 1.948,1122 6.876,1123 27.4,1124 3.005,1125 16.72,1126 20.635,1127 2.727,1128 33.727,1129 15.862,1130 1.869,1131 5.281,1132 29.267,1133 2.894,1134 17.833,1135 22.017,1137 36.084,1138 16.905,1139 11474,1140 20405,1141 21.789,1142 35.75,1143 50.135,1144 51.399,1145 51.655,1146 49.79,1147 49.642,1148 62.656,1149 3.102,1150 145.223,1151 45.89,1152 5.492,1153 5.623,1154 6.582,1155 5.171,1156 5.167,1157 7.165,1158 2.302,1159 18.081,1160 4.952,1161 15.841,1162 1.519,1163 1.558,1164 1.565,1165 1.509,1166 1.504,1167 1.899,1168 0.094,1169 4.401,1170 1.391,1171 4.05,1172 4.098,1173 4.126,1174 3.928,1175 8.201,1176 3.938,1177 3.938,1178 3.957,1179 3.987,1180 3.861,1181 5.192,1182 3.864,1183 3.827,1184 3.875,1185 3.763,1186 3.681,1187 4.961,1188 3.689,1189 3.634,1190 3.702,1191 3.592,1192 3.445,1193 4.932,1194 3.463,1195 3.395,1196 3.458,1197 3.538,1198 3.223,1199 4.616,1200 3.218,1201 3.111,1202 3.206,1203 3.258,1204 2.941,1205 4.59,1206 2.91,1207 3.057,1208 3.157,1209 3.11,1210 2.847,1211 4.375,1212 2.83,1213 2.939,1214 3.019,1215 2.927,1216 2.811,1217 4.324,1218 2.829,1219 0.136,1220 0.11,1221 0.205,1222 0.124,1223 0.096,1224 4.492,1225 0.126,1226 3.623,1227 0.035,1228 6.78,1229 0.331,1230 4.095,1231 0.089,1232 3.167,1233 4.165,1234 1.151,1235 10.939,1236 2.952,1237 1.91,1238 1.897,1239 2.039,1240 2.04,1241 1.392,1242 2.043,1243 1.856,1244 1.825,1245 1.967,1246 2.012,1247 1.171,1248 2.004,1249 1.815,1250 1.758,1251 1.903,1252 1.934,1253 1.02,1254 1.932,1255 1.424,1256 1.38,1257 1.675,1258 1.62,1259 0.825,1260 1.637,1261 1.333,1262 1.272,1263 1.513,1264 1.594,1265 0.787,1266 1.566,1267 1.236,1268 1.142,1269 1.505,1270 1.503,1271 0.639,1272 1.494,1273 1.153,1274 1.064,1275 1.416,1276 1.376,1277 0.494,1278 1.429,1279 0.85,1280 0.811,1281 1.17,1282 1.191,1283 0.185,1284 1.198,1285 4.205,1287 5.541,1288 2.398,1289 7.071,1290 4.595,1291 8.686,1292 6.605,1293 10.345,1295 1.73,1296 12.314,1297 13.882,1299 6.018,1301 4.068,1303 3.356,1304 5.975,1306 -0.243,1312 34.128,1313 92.467,1314 211.298,1315 260.913,1316 269.668,1317 269.668,1318 269.668,1319 62.812,1320 7.717,1321 77.99,1322 77.99,1323 23,1324 12.651,1325 4.17,1326 3.248,1327 47.079,1328 126,1329 128,1330 0.181,1331 215.049,1332 368.88,1333 516.478,1334 25301,1335 5.8,1336 21.25,1337 0.708,1338 0.597,1339 21.38,1340 17.92,1341 14.436,1342 0.437,1343 0.318,1344 9.662,1345 13.292,1346 9.412,1347 7.725,1348 14.602,1349 10.501,1350 13.223,1351 0.281,1352 0.172,1353 13.459,1354 8.1,1355 11.471,1356 0.182,1357 0.095,1358 11.538,1359 6.003,1360 9.315,1361 0.116,1362 0.054,1363 10.096,1364 4.308,1365 7.149,1366 0.074,1367 0.027,1368 7.001,1369 2.566,1370 0.285,1371 96.919,1372 0.214,1373 28.367,1374 0.491,1375 160,1376 520.834,1377 207.403,1378 537.371,1379 710.32,1380 500,1381 190,1382 479.673,1383 233.7,1384 495.485,1385 729.49,1386 467,1387 5.3} {0 CHEMBL183844,1 1.471,2 11.75,3 3.975,4 15.803,5 109.742,6 7.581,7 0.581,8 3.986,9 4.104,10 3.569,11 3.59,12 5.123,13 3.564,14 4.485,15 4.641,16 3.941,17 3.987,18 5.634,19 3.938,20 4.714,21 4.888,22 3.976,23 4.111,24 5.816,25 4.041,26 4.803,27 5.015,28 3.917,29 4.077,30 5.887,31 3.99,32 4.781,33 5.006,34 3.832,35 3.995,36 5.891,37 3.906,38 4.703,39 4.939,40 3.708,41 3.886,42 5.797,43 3.795,44 4.554,45 4.777,46 3.571,47 3.792,48 5.607,49 3.692,50 4.486,51 4.726,52 3.48,53 3.708,54 5.499,55 3.594,56 0.032,57 0.689,58 9.34,59 4.271,60 6.847,61 5.485,62 0.232,63 1.105,64 16.884,65 7.393,66 22.817,67 9.872,68 0.134,69 1.345,70 22.149,71 9.313,72 29.852,73 12.155,74 0.189,75 1.443,76 26.071,77 10.107,78 40.179,79 13.567,80 0.235,81 1.387,82 26.385,83 9.769,84 47.925,85 13.06,86 0.288,87 1.261,88 25.273,89 9.031,90 56.249,91 12.015,92 0.224,93 1.096,94 21.059,95 7.894,96 42.929,97 10.478,98 0.164,99 1.042,100 19.684,101 7.566,102 27.44,103 10.422,104 17,105 44,106 0.246,107 0.555,108 0.716,109 0.843,110 0.9,111 0.9,112 3.374,113 0.887,114 -4.67,115 -4.58,116 -4.31,119 46.9,120 2,125 1,142 10,143 6,144 2,158 1,159 1,172 17,175 1,178 3,179 1,180 6,183 21,188 2,193 7,196 18,200 6,205 10,208 12,213 7,218 8,221 8,225 5,230 7,233 8,239 3,244 4,247 11,253 3,257 1,258 3,261 12,266 2,269 1,271 2,274 10,278 1156,279 18.809,280 18.809,281 18.809,282 18.809,283 18.809,284 16.321,285 22.487,286 10.973,287 18.934,288 15.303,289 15.303,290 15.303,291 15.303,292 15.303,293 11.48,294 31.302,295 5.213,296 15.475,297 4.144,298 2.3,299 1.336,300 0.577,301 0.235,302 0.235,303 4.07,306 1,307 1,308 1,309 720,310 3.082,313 65.181,314 273.033,317 122.249,321 2,322 22.768,324 1,325 1,326 1,327 1,328 0.6,329 0.5,330 1,331 1,332 0.87,333 59.5,334 329,335 4.553,336 3.65,337 6.795,338 4.206,339 3.207,340 4.243,341 1.656,342 11.18,343 3.201,344 4.238,345 3.569,346 6.159,347 3.869,348 2.884,349 3.843,350 1.081,351 9.041,352 2.841,353 4.065,354 3.076,355 5.936,356 3.674,357 2.692,358 3.66,359 0.473,360 8.25,361 2.641,362 3.838,363 2.842,364 5.573,365 3.505,366 2.51,367 3.196,368 0.247,369 7.63,370 2.492,371 3.57,372 2.727,373 5.047,374 3.203,375 2.209,376 2.815,378 6.003,379 2.181,380 3.214,381 2.224,382 4.94,383 2.818,384 1.824,385 2.442,387 5.327,388 1.806,389 3.134,390 2.138,391 4.594,392 2.707,393 1.697,394 2.325,396 4.782,397 1.705,398 2.92,399 1.729,400 4.183,401 2.533,402 1.544,403 2.078,405 3.703,406 1.525,407 2.816,408 1.655,409 4.102,410 2.392,411 1.395,412 1.936,414 3.592,415 1.388,416 2.66,417 1.37,418 4.009,419 2.187,420 1.19,421 1.729,423 3.202,424 1.184,425 2.641,426 1.24,427 3.479,428 2.168,429 1.171,430 1.651,432 2.586,433 1.164,434 1.964,435 1.09,436 3.316,437 1.726,438 0.749,439 0.877,441 1.781,442 0.729,443 1.517,444 0.717,445 3.014,446 1.218,447 0.249,448 0.299,450 0.63,451 0.24,452 1.186,453 0.442,454 2.642,455 0.806,456 -0.181,457 -0.229,459 -0.457,460 -0.177,461 0.988,462 0.316,463 2.426,464 0.596,465 -0.419,466 -0.528,468 -0.998,469 -0.42,470 13.367,471 0.477,472 0.75,473 0.027,474 39.5,475 1.411,476 22,477 0.786,478 17.5,479 0.625,480 20.505,481 0.732,482 28.633,483 0.584,484 29.666,485 1.06,486 7.982,487 0.285,488 5.526,489 0.197,490 0.125,492 0.374,497 0.729,498 1.08,499 0.779,500 0.906,501 0.571,502 0.848,503 0.423,504 0.951,505 0.765,506 0.914,507 0.471,508 0.891,509 0.978,510 1.179,511 1.049,512 1.137,513 0.951,514 1.108,515 1.018,516 1.148,517 1.027,518 1.094,519 0.923,520 1.064,521 1.202,522 1.065,523 1.049,524 1.039,525 1.131,526 1.021,527 1.377,528 0.927,529 1.035,530 0.89,531 1.361,532 0.911,533 1.256,534 0.995,535 1.106,536 0.982,537 1.253,538 1.018,539 0.817,540 1.014,541 1.003,542 1.06,543 0.736,544 1.052,545 6,546 0.143,547 3.333,548 2.319,549 1.444,550 0.959,551 0.642,552 0.365,553 0.286,554 0.172,555 10620,556 27319,557 2.094,558 42.9,559 6,560 12,563 3,568 1.706,569 1.953,570 3.502,571 0.847,573 1,578 72.085,579 1.471,580 3.315,581 4.278,582 5.038,583 5.38,584 5.38,585 2.942,586 4.352,587 4.779,588 3.707,589 1401.38,590 8.288,591 18829.6,593 1,595 1,596 275.121,597 1.432,598 4.736,599 0.194,600 0.008,601 0.076,602 0.053,603 0.036,604 0.027,605 0.02,606 0.013,607 0.011,608 0.008,609 0.445,610 0.33,611 1,612 0.573,613 141.958,614 -0.068,615 0.031,616 0.027,617 0.062,618 -0.073,619 0.061,620 0.294,621 0.111,622 0.1,623 0.063,624 0.123,625 0.05,626 -0.097,627 -0.16,628 -0.145,629 -0.16,630 -0.091,631 -0.159,632 -0.068,633 -0.15,634 -0.062,635 -0.124,636 -0.017,637 -0.096,638 -0.101,639 -0.077,640 -0.049,641 -0.074,642 -0.033,643 -0.055,644 -0.156,645 0.046,646 -0.005,647 0.076,648 -0.097,649 0.061,650 -0.166,651 -0.018,652 -0.111,653 -0.008,654 -0.138,655 -0.045,656 0.015,657 -0.034,658 -0.016,659 -0.083,660 0.014,661 -0.057,662 1.947,663 5.322,664 0.75,665 27.378,666 0.998,667 1.115,668 3.436,669 11.804,670 0.689,671 3.466,672 3.807,673 4.078,674 4.357,675 4.543,676 4.585,677 4.71,678 4.828,679 4.844,680 4.913,681 7.041,682 0.658,683 371.47,684 3.466,685 5.017,686 5.872,687 6.758,688 7.628,689 8.517,690 9.394,691 10.285,692 11.166,693 12.058,694 6.1,701 3,709 10,714 8,716 18,723 1,735 49,737 20,738 3,739 31,741 52,742 23,743 18,744 8,745 10,746 1,748 4,749 5,753 1,754 2,762 20,763 3,767 2,772 2,776 2,780 1,783 21,784 5,785 3,786 5,792 3,796 0.75,797 2,814 1,815 3,818 1,842 3,846 2,850 28,856 1,858 3,872 4.1,875 2,879 14.333,880 9.417,881 6.056,882 2.847,884 3.388,885 1.444,886 1.023,887 4.887,888 11.01,889 3.761,890 4.376,891 4.936,892 5.515,893 6.041,894 6.244,895 6.625,896 7.003,897 7.263,898 7.572,899 0.875,900 44,901 10.344,903 4.433,904 7.774,905 19.701,907 16.257,909 2.274,910 63.667,912 1,913 1,914 211.88,915 148.126,916 54.032,918 50.29,921 148.126,922 262.17,923 54.032,924 17.65,925 56.138,926 94.762,927 54.995,928 24.627,929 4.276,930 211.88,932 211.88,933 202.158,934 50.29,937 211.88,938 50.29,941 73.788,942 128.37,945 211.88,946 104.322,947 148.126,950 211.88,951 35.713,952 112.413,953 54.032,954 50.29,955 211.88,956 104.322,957 148.126,959 0.588,960 0.343,961 0.189,962 0.099,963 22,964 10,965 0.058,966 3,967 1,968 1.095,969 4.008,970 242.717,971 0.095,972 21,973 132.606,979 18.268,980 7.49,981 3.809,983 104.322,984 19.312,989 7.345,991 54.032,992 464.328,993 42,998 24.219,1002 -0.309,1005 48.912,1006 54.651,1007 0.262,1008 0.59,1009 0.762,1010 0.897,1011 0.958,1012 0.958,1013 5.001,1014 1.544,1015 5.866,1016 4.782,1017 4.489,1018 5.063,1019 2.15,1020 6.683,1021 4.468,1022 6.22,1023 1.395,1024 7.43,1025 3.703,1026 4.111,1027 4.89,1028 1.195,1029 7.582,1030 4.096,1031 7.533,1032 1.19,1033 9.09,1034 3.592,1035 6.089,1036 7.249,1037 2.64,1038 10.692,1039 6.047,1040 8.879,1041 1.171,1042 10.809,1043 3.202,1044 6.509,1045 7.849,1046 2.324,1047 12.436,1048 6.473,1049 10.255,1050 0.749,1051 12.565,1052 2.586,1053 7.973,1054 9.71,1055 3.362,1056 15.067,1057 7.918,1058 11.651,1059 0.249,1060 14.349,1061 1.781,1062 8.768,1063 10.688,1064 3.407,1065 17.176,1066 8.717,1067 13.064,1068 -0.181,1069 16.153,1070 0.63,1071 10.025,1072 12.327,1073 4.212,1074 19.647,1075 9.962,1076 3.207,1077 -0.419,1078 17.973,1079 -0.457,1080 10.999,1081 13.503,1082 4.464,1083 21.917,1084 10.938,1085 2.884,1086 11.18,1087 19.807,1088 -0.998,1089 12.174,1090 15.033,1091 5.137,1092 24.337,1093 12.107,1094 2.692,1095 9.041,1096 21.651,1097 4.243,1098 13.233,1099 16.318,1100 5.504,1101 26.68,1102 13.167,1103 2.51,1104 8.25,1105 23.504,1106 3.843,1107 14.379,1108 17.793,1109 6.102,1110 29.087,1111 14.31,1112 2.209,1113 7.63,1114 25.365,1115 3.66,1116 15.48,1117 19.139,1118 6.531,1119 31.464,1120 15.412,1121 1.824,1122 6.003,1123 27.232,1124 3.196,1125 16.619,1126 20.587,1127 7.088,1128 33.869,1129 16.55,1130 1.697,1131 5.327,1132 29.105,1133 2.815,1134 17.742,1135 21.969,1136 7.551,1137 36.263,1138 17.673,1139 10012,1140 16183,1141 20.69,1142 33.779,1143 47.031,1144 48.63,1145 48.49,1146 46.577,1147 46.645,1148 62.187,1149 6.914,1150 135.411,1151 46.194,1152 5.425,1153 5.65,1154 6.352,1155 5.247,1156 5.207,1157 7.243,1158 2.912,1159 18.555,1160 5.201,1161 13.766,1162 1.517,1163 1.569,1164 1.564,1165 1.502,1166 1.505,1167 2.006,1168 0.223,1169 4.368,1170 1.49,1171 4.072,1172 4.095,1173 4.029,1174 4.014,1175 7.432,1176 4.014,1177 3.93,1178 3.963,1179 3.869,1180 3.857,1181 7.428,1182 3.854,1183 3.849,1184 3.88,1185 3.792,1186 3.769,1187 4.821,1188 3.771,1189 3.449,1190 3.496,1191 3.394,1192 3.214,1193 4.749,1194 3.244,1195 3.369,1196 3.427,1197 3.277,1198 3.15,1199 4.593,1200 3.178,1201 3.172,1202 3.251,1203 3.005,1204 3.042,1205 4.056,1206 3.023,1207 3.15,1208 3.233,1209 2.954,1210 2.984,1211 4.032,1212 2.97,1213 2.988,1214 3.037,1215 2.861,1216 2.855,1217 3.897,1218 2.851,1219 0.147,1220 0.118,1221 0.219,1222 0.136,1223 0.103,1224 4.553,1225 0.137,1226 3.65,1227 0.053,1228 6.795,1229 0.361,1230 4.206,1231 0.103,1232 3.207,1233 4.243,1234 1.656,1235 11.18,1236 3.201,1237 2.004,1238 1.986,1239 2.088,1240 2.07,1241 1.261,1242 2.076,1243 1.914,1244 1.884,1245 2.036,1246 2.008,1247 1.132,1248 2.018,1249 1.79,1250 1.765,1251 1.906,1252 1.881,1253 1.053,1254 1.889,1255 1.367,1256 1.312,1257 1.577,1258 1.658,1259 0.715,1260 1.63,1261 1.301,1262 1.242,1263 1.562,1264 1.595,1265 0.616,1266 1.568,1267 1.197,1268 1.119,1269 1.53,1270 1.404,1271 0.601,1272 1.453,1273 1.157,1274 1.085,1275 1.373,1276 1.385,1277 0.348,1278 1.415,1279 1.03,1280 0.998,1281 1.197,1282 1.213,1283 0.253,1284 1.212,1285 4.143,1287 5.476,1288 2.398,1289 6.999,1290 4.727,1291 8.609,1292 6.823,1293 10.265,1295 3.938,1301 0.544,1303 8.618,1312 32.235,1313 72.085,1314 162.418,1315 209.637,1316 246.856,1317 263.611,1318 263.611,1319 44.698,1320 7.622,1321 70.23,1322 70.23,1323 23,1324 12.588,1325 4.392,1326 3.585,1327 42.677,1328 121,1329 106,1330 0.174,1331 197.995,1332 345.86,1333 474.867,1334 22447,1336 19.673,1337 0.703,1338 0.564,1339 19.673,1340 15.797,1341 13.508,1342 0.436,1343 0.296,1344 9.087,1345 13.179,1346 8.785,1347 7.339,1348 13.508,1349 9.169,1350 12.502,1351 0.284,1352 0.159,1353 12.502,1354 6.993,1355 10.34,1356 0.178,1357 0.085,1358 10.34,1359 4.908,1360 8.92,1361 0.116,1362 0.045,1363 8.92,1364 3.503,1365 6.961,1366 0.075,1367 0.024,1368 6.961,1369 2.242,1370 0.278,1371 83.474,1372 0.22,1373 27.006,1374 0.466,1375 150,1376 406.47,1377 160.423,1378 402.954,1379 554.34,1380 376,1381 177,1382 410.47,1383 186.316,1384 422.135,1385 615.05,1386 397,1387 5.9} {0 CHEMBL184847,1 1.471,2 12.536,3 3.975,4 15.803,5 109.742,6 7.581,7 0.581,8 3.986,9 4.104,10 3.569,11 3.59,12 5.123,13 3.564,14 4.485,15 4.641,16 3.941,17 3.987,18 5.634,19 3.938,20 4.714,21 4.888,22 3.974,23 4.115,24 5.816,25 4.044,26 4.799,27 5.006,28 3.884,29 4.075,30 5.894,31 3.977,32 4.798,33 5.05,34 3.752,35 3.943,36 5.859,37 3.841,38 4.585,39 4.825,40 3.613,41 3.77,42 5.668,43 3.682,44 4.425,45 4.652,46 3.469,47 3.627,48 5.537,49 3.543,50 4.29,51 4.509,52 3.38,53 3.521,54 5.402,55 3.444,56 0.032,57 0.689,58 9.34,59 4.271,60 6.847,61 5.485,62 0.232,63 1.105,64 16.884,65 7.393,66 22.878,67 9.872,68 0.143,69 1.343,70 22.179,71 9.314,72 29.594,73 12.142,74 0.153,75 1.428,76 25.637,77 10.335,78 40.04,79 13.827,80 0.284,81 1.39,82 28.223,83 10.049,84 55.125,85 13.71,86 0.226,87 1.135,88 22.309,89 7.95,90 42.54,91 10.745,92 0.206,93 0.96,94 18.776,95 6.742,96 40.737,97 8.927,98 0.217,99 0.852,100 16.203,101 5.772,102 35.944,103 7.552,104 17,105 44,106 0.246,107 0.555,108 0.688,109 0.802,110 0.845,111 0.873,112 3.374,113 0.887,114 -4.67,115 -4.58,116 -4.31,119 46.9,120 2,125 1,142 10,143 6,144 2,158 1,159 1,172 17,175 1,178 3,179 1,180 6,183 22,188 2,193 6,196 19,200 6,205 10,208 10,213 6,218 8,221 6,225 5,230 7,233 6,239 4,244 4,247 8,253 2,257 1,258 3,261 10,266 2,269 1,271 2,274 10,278 1176,279 18.809,280 18.809,281 18.809,282 18.809,283 18.809,284 16.321,285 22.751,286 10.91,287 18.937,288 15.276,289 15.276,290 15.276,291 15.276,292 15.276,293 11.47,294 32.701,295 5.17,296 15.453,297 4.144,298 2.3,299 1.5,300 0.822,301 0.561,302 0.398,303 4.07,306 1,307 1,308 1,309 768,310 3.082,313 66.529,314 276.438,317 124.748,321 2.031,322 22.429,324 1,325 1,326 1,327 1,328 0.6,329 0.5,330 1,331 1,332 0.87,333 59.5,334 351,335 4.543,336 3.65,337 6.792,338 4.198,339 3.198,340 4.224,341 1.656,342 11.163,343 3.194,344 4.226,345 3.563,346 6.045,347 3.839,348 2.85,349 3.875,350 1.081,351 8.586,352 2.82,353 4.079,354 3.028,355 5.958,356 3.71,357 2.717,358 3.634,359 0.473,360 8.382,361 2.697,362 3.824,363 2.984,364 5.531,365 3.503,366 2.521,367 3.144,368 0.247,369 7.447,370 2.46,371 3.601,372 2.571,373 5.265,374 3.232,375 2.252,376 2.919,378 6.615,379 2.202,380 3.3,381 2.311,382 4.979,383 2.876,384 1.873,385 2.533,387 5.403,388 1.868,389 3.118,390 2.187,391 4.597,392 2.675,393 1.666,394 2.3,396 4.762,397 1.672,398 2.919,399 1.729,400 4.161,401 2.532,402 1.544,403 2.074,405 3.703,406 1.525,407 2.82,408 1.634,409 4.041,410 2.414,411 1.414,412 1.948,414 3.522,415 1.414,416 2.643,417 1.383,418 4.027,419 2.177,420 1.182,421 1.652,423 3.212,424 1.171,425 2.5,426 1.091,427 3.414,428 2,429 1,430 1.5,432 2.275,433 1,434 1.961,435 1,436 3.31,437 1.724,438 0.747,439 0.874,441 1.771,442 0.726,443 1.536,444 0.753,445 3.007,446 1.269,447 0.293,448 0.346,450 0.688,451 0.285,452 1.336,453 0.546,454 2.6,455 0.991,456 0.009,457 0.011,459 0.021,460 0.009,461 0.972,462 0.361,463 2.394,464 0.655,465 -0.337,466 -0.411,468 -0.858,469 -0.332,470 13.367,471 0.477,472 0.75,473 0.027,474 39.5,475 1.411,476 22,477 0.786,478 17.5,479 0.625,480 20.123,481 0.719,482 28.633,483 0.584,484 29.401,485 1.05,486 7.982,487 0.285,488 5.526,489 0.197,490 0.125,492 0.374,497 0.729,498 1.08,499 0.779,500 0.906,501 0.571,502 0.848,503 0.423,504 0.951,505 0.765,506 0.914,507 0.471,508 0.891,509 0.989,510 1.134,511 1.055,512 1.113,513 0.946,514 1.095,515 0.954,516 1.256,517 1.083,518 1.226,519 0.922,520 1.183,521 1.186,522 0.952,523 0.974,524 0.912,525 1.125,526 0.91,527 1.234,528 0.97,529 0.986,530 0.912,531 1.148,532 0.909,533 1.384,534 0.993,535 1.055,536 0.938,537 1.362,538 0.949,539 1.435,540 0.903,541 1.088,542 0.89,543 1.444,544 0.932,545 6,546 0.151,547 3.556,548 2.194,549 1.284,550 0.903,551 0.594,552 0.258,553 0.29,554 0.197,555 11068,556 28055,557 2.094,558 42.9,559 6,560 12,563 3,568 1.704,569 1.953,570 3.585,571 0.847,573 1,578 72.085,579 1.471,580 3.315,581 4.115,582 4.793,583 5.053,584 5.217,585 3.04,586 4.423,587 4.781,588 3.776,589 1427.29,590 8.274,591 19576.9,593 1,595 1,596 275.121,597 1.432,598 4.736,599 0.194,600 0.008,601 0.081,602 0.05,603 0.034,604 0.027,605 0.02,606 0.01,607 0.013,608 0.009,609 0.445,610 0.33,611 1,612 0.573,613 143.126,614 -0.068,615 0.031,616 0.027,617 0.062,618 -0.073,619 0.061,620 0.294,621 0.111,622 0.1,623 0.063,624 0.123,625 0.05,626 -0.108,627 -0.115,628 -0.151,629 -0.136,630 -0.087,631 -0.146,632 -0.049,633 -0.276,634 -0.13,635 -0.246,636 -0.02,637 -0.209,638 -0.084,639 0.014,640 0.063,641 0.057,642 -0.031,643 0.079,644 -0.106,645 0.017,646 0.037,647 0.049,648 -0.044,649 0.064,650 -0.158,651 -0.008,652 -0.036,653 0.023,654 -0.105,655 0.013,656 -0.158,657 0.108,658 -0.076,659 0.06,660 -0.164,661 0.012,662 1.952,663 5.254,664 0.75,665 27.857,666 0.998,667 1.115,668 3.436,669 11.804,670 0.689,671 3.466,672 3.807,673 4.078,674 4.331,675 4.522,676 4.554,677 4.673,678 4.754,679 4.754,680 4.852,681 7.377,682 0.658,683 371.47,684 3.466,685 5.017,686 5.872,687 6.753,688 7.622,689 8.506,690 9.38,691 10.265,692 11.143,693 12.029,694 6.1,701 3,709 10,714 8,716 18,723 1,735 49,737 20,738 3,739 31,741 52,742 23,743 18,744 8,745 10,746 1,748 4,749 5,753 1,754 2,762 20,763 3,767 2,772 2,776 2,780 1,783 21,784 5,785 3,786 5,792 3,796 0.75,797 2,814 1,815 3,818 1,842 3,846 2,850 28,856 1,858 3,872 4.1,875 2,879 14.333,880 9.417,881 6.056,882 2.847,884 3.44,885 1.45,886 1.023,887 4.887,888 11.092,889 3.761,890 4.376,891 4.936,892 5.5,893 6.031,894 6.218,895 6.593,896 6.929,897 7.168,898 7.497,899 1,900 44,901 10.341,903 4.429,904 7.774,905 19.701,907 16.257,909 2.274,910 63.667,912 1,913 1,914 211.88,915 148.126,916 54.032,918 50.29,921 148.126,922 262.17,923 54.032,924 17.65,925 56.138,926 94.762,927 54.995,928 24.627,929 4.276,930 211.88,932 211.88,933 202.158,934 50.29,937 211.88,938 50.29,941 73.788,942 128.37,945 211.88,946 104.322,947 148.126,950 211.88,951 35.713,952 112.413,953 54.032,954 50.29,955 211.88,956 104.322,957 148.126,959 0.59,960 0.347,961 0.183,962 0.096,963 22,964 10,965 0.058,966 3,967 1,968 1.095,969 4.048,970 239.583,971 0.095,972 21,973 127.851,979 18.268,980 7.49,981 3.809,983 104.322,984 19.174,989 7.557,991 54.032,992 464.328,993 42,998 24.103,1002 -0.315,1005 48.912,1006 54.651,1007 0.262,1008 0.59,1009 0.733,1010 0.854,1011 0.9,1012 0.929,1013 5.001,1014 1.544,1015 5.866,1016 4.762,1017 4.489,1018 5.063,1019 2.15,1020 6.678,1021 4.468,1022 6.22,1023 1.414,1024 7.43,1025 3.703,1026 4.111,1027 4.89,1028 1.195,1029 7.573,1030 4.096,1031 7.533,1032 1.182,1033 9.089,1034 3.522,1035 6.089,1036 7.249,1037 2.64,1038 10.669,1039 6.048,1040 8.879,1041 1,1042 10.806,1043 3.212,1044 6.509,1045 7.849,1046 2.324,1047 12.405,1048 6.476,1049 10.254,1050 0.747,1051 12.559,1052 2.275,1053 7.969,1054 9.708,1055 3.362,1056 15.028,1057 7.918,1058 11.649,1059 0.293,1060 14.339,1061 1.771,1062 8.76,1063 10.681,1064 3.407,1065 17.132,1066 8.715,1067 13.061,1068 0.009,1069 16.139,1070 0.688,1071 10.013,1072 12.318,1073 4.212,1074 19.599,1075 9.957,1076 3.198,1077 -0.337,1078 17.956,1079 0.021,1080 10.981,1081 13.489,1082 4.464,1083 21.87,1084 10.93,1085 2.85,1086 11.163,1087 19.785,1088 -0.858,1089 12.152,1090 15.017,1091 5.137,1092 24.289,1093 12.096,1094 2.717,1095 8.586,1096 21.626,1097 4.224,1098 13.205,1099 16.296,1100 5.504,1101 26.634,1102 13.152,1103 2.521,1104 8.382,1105 23.475,1106 3.875,1107 14.347,1108 17.769,1109 6.102,1110 29.041,1111 14.292,1112 2.252,1113 7.447,1114 25.333,1115 3.634,1116 15.443,1117 19.11,1118 6.531,1119 31.421,1120 15.39,1121 1.873,1122 6.615,1123 27.198,1124 3.144,1125 16.579,1126 20.556,1127 7.088,1128 33.827,1129 16.525,1130 1.666,1131 5.403,1132 29.069,1133 2.919,1134 17.697,1135 21.932,1136 7.551,1137 36.223,1138 17.645,1139 10424,1140 16739,1141 20.69,1142 33.779,1143 46.916,1144 48.64,1145 48.447,1146 46.466,1147 46.531,1148 62.068,1149 6.914,1150 135.098,1151 46.084,1152 5.413,1153 5.65,1154 6.303,1155 5.24,1156 5.198,1157 7.224,1158 2.912,1159 18.516,1160 5.194,1161 14.139,1162 1.513,1163 1.569,1164 1.563,1165 1.499,1166 1.501,1167 2.002,1168 0.223,1169 4.358,1170 1.487,1171 4.066,1172 4.09,1173 4.022,1174 4.007,1175 7.432,1176 4.007,1177 3.951,1178 3.982,1179 3.892,1180 3.886,1181 7.428,1182 3.883,1183 3.83,1184 3.863,1185 3.772,1186 3.743,1187 4.827,1188 3.745,1189 3.465,1190 3.514,1191 3.408,1192 3.222,1193 4.74,1194 3.257,1195 3.366,1196 3.424,1197 3.272,1198 3.172,1199 4.597,1200 3.189,1201 3.154,1202 3.245,1203 3,1204 3,1205 4.071,1206 2.988,1207 3.133,1208 3.206,1209 2.925,1210 2.974,1211 4.051,1212 2.956,1213 2.98,1214 3.015,1215 2.869,1216 2.812,1217 3.876,1218 2.825,1219 0.147,1220 0.118,1221 0.219,1222 0.135,1223 0.103,1224 4.543,1225 0.136,1226 3.65,1227 0.053,1228 6.792,1229 0.36,1230 4.198,1231 0.103,1232 3.198,1233 4.224,1234 1.656,1235 11.163,1236 3.194,1237 1.994,1238 1.976,1239 2.078,1240 2.062,1241 1.243,1242 2.068,1243 1.938,1244 1.911,1245 2.057,1246 2.023,1247 1.192,1248 2.036,1249 1.769,1250 1.743,1251 1.881,1252 1.868,1253 0.995,1254 1.872,1255 1.369,1256 1.314,1257 1.575,1258 1.659,1259 0.715,1260 1.631,1261 1.329,1262 1.268,1263 1.567,1264 1.606,1265 0.63,1266 1.585,1267 1.191,1268 1.105,1269 1.557,1270 1.42,1271 0.611,1272 1.476,1273 1.105,1274 1.042,1275 1.32,1276 1.344,1277 0.335,1278 1.359,1279 1.028,1280 0.995,1281 1.194,1282 1.213,1283 0.218,1284 1.212,1285 4.143,1287 5.476,1288 2.398,1289 6.999,1290 4.727,1291 8.606,1292 6.823,1293 10.257,1295 4.051,1301 0.544,1303 8.553,1312 32.235,1313 72.085,1314 162.418,1315 201.637,1316 234.856,1317 247.611,1318 255.611,1319 44.343,1320 7.652,1321 70.23,1322 70.23,1323 23,1324 12.563,1325 4.392,1326 3.585,1327 42.813,1328 127,1329 114,1330 0.165,1331 197.995,1332 345.86,1333 474.867,1334 23921,1336 19.673,1337 0.703,1338 0.564,1339 19.673,1340 15.797,1341 13.508,1342 0.436,1343 0.296,1344 9.087,1345 13.177,1346 8.786,1347 7.335,1348 13.508,1349 9.169,1350 12.468,1351 0.283,1352 0.158,1353 12.468,1354 6.97,1355 10.536,1356 0.182,1357 0.087,1358 10.536,1359 5.065,1360 8.684,1361 0.116,1362 0.045,1363 8.684,1364 3.37,1365 6.863,1366 0.075,1367 0.024,1368 6.863,1369 2.206,1370 0.267,1371 83.474,1372 0.22,1373 27.2,1374 0.432,1375 150,1376 406.47,1377 160.423,1378 402.816,1379 554.26,1380 376,1381 177,1382 410.47,1383 186.15,1384 421.867,1385 614.15,1386 397,1387 5.9} {0 CHEMBL185569,1 1.489,2 11.852,3 3.489,4 12.174,5 104.701,6 7.77,7 0.6,8 3.931,9 4.046,10 3.535,11 3.54,12 5.086,13 3.52,14 4.42,15 4.565,16 3.899,17 3.933,18 5.6,19 3.888,20 4.66,21 4.839,22 3.909,23 4.041,24 5.768,25 3.972,26 4.7,27 4.909,28 3.84,29 3.974,30 5.817,31 3.893,32 4.655,33 4.874,34 3.718,35 3.869,36 5.795,37 3.788,38 4.55,39 4.79,40 3.578,41 3.733,42 5.643,43 3.642,44 4.355,45 4.578,46 3.386,47 3.565,48 5.47,49 3.48,50 4.187,51 4.409,52 3.323,53 3.457,54 5.257,55 3.375,56 0.03,57 0.648,58 8.382,59 3.91,60 6.81,61 4.902,62 0.216,63 1.036,64 14.952,65 6.729,66 21.658,67 8.803,68 0.145,69 1.266,70 20.753,71 8.694,72 31.872,73 11.177,74 0.158,75 1.294,76 23.153,77 9.206,78 39.192,79 12.145,80 0.249,81 1.231,82 22.973,83 8.377,84 48.572,85 10.853,86 0.206,87 1.087,88 21.535,89 7.959,90 43.694,91 10.642,92 0.228,93 0.9,94 17.357,95 6.209,96 43.273,97 7.977,98 0.139,99 0.775,100 14.209,101 5.514,102 24.314,103 7.353,104 10,105 42,106 0.252,107 0.548,108 0.694,109 0.827,110 0.873,111 0.881,112 3.339,113 0.875,114 -4.45,115 -4.38,116 -4.13,119 47.8,120 1,125 1,142 11,143 5,144 2,158 1,159 1,172 16,175 1,178 3,179 1,180 6,183 20,188 2,193 6,196 16,200 6,205 10,208 10,213 6,218 7,221 6,225 5,230 7,233 6,239 3,244 3,247 8,253 2,257 1,258 3,261 10,266 2,269 1,271 2,274 8,278 1037,279 18.309,280 18.309,281 18.309,282 18.309,283 18.309,284 15.874,285 21.893,286 10.777,287 18.437,288 14.825,289 14.825,290 14.825,291 14.825,292 14.825,293 11.09,294 32.092,295 5.132,296 15.002,297 4.034,298 2.288,299 1.425,300 0.642,301 0.364,302 0.321,303 4.038,306 1,307 1,308 1,309 703,310 3,313 62.779,314 262.827,317 117.778,321 1.953,322 22.026,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 57.5,334 320,335 4.543,336 3.65,337 6.792,338 4.198,339 3.198,340 4.224,341 1.656,342 11.163,343 3.194,344 4.105,345 3.563,346 6.045,347 3.737,348 2.757,349 3.67,350 1.081,351 8.585,352 2.707,353 4.047,354 3.027,355 5.623,356 3.661,357 2.67,358 3.625,359 0.473,360 7.798,361 2.638,362 3.791,363 2.741,364 5.414,365 3.444,366 2.46,367 3.129,368 0.247,369 7.161,370 2.412,371 3.51,372 2.563,373 5.013,374 3.12,375 2.128,376 2.777,378 5.789,379 2.102,380 3.214,381 2.199,382 4.864,383 2.811,384 1.813,385 2.441,387 5.281,388 1.803,389 3.098,390 2.132,391 4.499,392 2.658,393 1.649,394 2.274,396 4.574,397 1.654,398 2.919,399 1.729,400 4.16,401 2.532,402 1.543,403 2.074,405 3.703,406 1.525,407 2.661,408 1.383,409 4.028,410 2.188,411 1.192,412 1.73,414 3.211,415 1.185,416 2.641,417 1.24,418 3.479,419 2.168,420 1.171,421 1.651,423 2.587,424 1.164,425 2.5,426 1.09,427 3.414,428 2,429 1,430 1.5,432 2.275,433 1,434 1.961,435 1,436 3.31,437 1.723,438 0.746,439 0.873,441 1.769,442 0.726,443 1.349,444 0.663,445 2.947,446 1.042,447 0.086,448 0.103,450 0.23,451 0.082,452 1.184,453 0.417,454 2.553,455 0.782,456 -0.218,457 -0.285,459 -0.533,460 -0.216,461 0.972,462 0.235,463 2.314,464 0.573,465 -0.426,466 -0.528,468 -0.996,469 -0.425,470 12.867,471 0.477,472 0.661,473 0.024,474 39,475 1.444,476 22,477 0.815,478 17,479 0.63,480 17.913,481 0.663,482 27.333,483 0.594,484 28.605,485 1.059,486 7.926,487 0.294,488 5.172,489 0.192,490 0.091,492 0.35,497 0.73,498 1.062,499 0.757,500 0.878,501 0.563,502 0.819,503 0.431,504 0.988,505 0.803,506 0.96,507 0.483,508 0.94,509 0.991,510 1.119,511 1.051,512 1.101,513 0.955,514 1.085,515 0.986,516 1.172,517 0.993,518 1.113,519 0.932,520 1.065,521 1.338,522 1.025,523 1.121,524 1.01,525 1.263,526 1.023,527 1.12,528 0.98,529 0.942,530 0.935,531 1.089,532 0.916,533 1.471,534 0.927,535 1.145,536 0.906,537 1.453,538 0.964,539 0.924,540 0.962,541 0.924,542 0.959,543 0.918,544 0.945,545 5.5,546 0.143,547 2.889,548 2.132,549 1.093,550 0.847,551 0.512,552 0.233,553 0.24,554 0.157,555 10045,556 26382,557 2.12,558 41.3,559 3,560 13,563 3,568 1.694,569 2,570 3.515,571 0.872,573 1,578 68.511,579 1.489,580 3.236,581 4.098,582 4.882,583 5.159,584 5.203,585 2.94,586 4.533,587 4.728,588 3.719,589 1305.2,590 8.171,591 17363.5,593 1,595 1,596 254.084,597 1.352,598 4.694,599 0.183,600 0.008,601 0.069,602 0.052,603 0.03,604 0.026,605 0.018,606 0.01,607 0.011,608 0.008,609 0.415,610 0.33,611 1,612 0.528,613 136.085,614 -0.075,615 0.036,616 0.024,617 0.067,618 -0.072,619 0.065,620 0.283,621 0.068,622 0.036,624 0.109,625 -0.021,626 -0.107,627 -0.115,628 -0.141,629 -0.131,630 -0.095,631 -0.138,632 -0.044,633 -0.198,634 -0.023,635 -0.136,636 0.004,637 -0.088,638 -0.17,639 -0.028,640 -0.112,641 -0.052,642 -0.098,643 -0.066,644 -0.061,645 -0.026,646 0.094,647 0.049,648 -0.011,649 0.087,650 -0.232,651 0.061,652 -0.121,653 0.056,654 -0.183,655 -0.002,656 0.007,657 0.018,658 0.066,659 0.019,660 -0.023,661 0.043,662 1.955,663 5.17,664 0.778,665 26.052,666 1.001,667 1.114,668 3.221,669 10.374,670 0.696,671 3.434,672 3.761,673 4.025,674 4.304,675 4.477,676 4.511,677 4.625,678 4.736,679 4.718,680 4.82,681 7.123,682 0.668,683 357.44,684 3.434,685 4.977,686 5.826,687 6.706,688 7.569,689 8.453,690 9.322,691 10.208,692 11.083,693 11.97,694 6.5,701 3,709 11,714 7,716 18,723 1,735 46,737 20,738 3,739 30,741 49,742 22,743 18,744 7,745 11,746 1,748 4,749 5,753 1,754 1,762 20,763 2,767 2,772 2,776 2,779 1,780 1,783 19,784 5,785 3,786 5,792 3,796 0.75,797 2,814 1,815 3,818 1,842 3,846 1,850 27,856 1,858 3,872 4.3,875 2,879 13.5,880 8.5,881 5.861,882 2.646,884 3.417,885 1.452,886 1.03,887 4.654,888 10.984,889 3.738,890 4.337,891 4.892,892 5.472,893 5.989,894 6.173,895 6.555,896 6.922,897 7.152,898 7.48,899 0.875,900 41,901 9.964,903 4.279,904 7.796,905 18.926,907 15.609,909 2.296,910 62,913 1,914 188.338,915 145.591,916 54.032,918 50.29,921 145.591,922 238.627,923 54.032,924 8.825,925 56.138,926 104.239,927 54.995,928 21.441,929 4.276,930 188.338,932 188.338,933 199.624,934 50.29,937 188.338,938 50.29,941 64.963,942 134.661,945 188.338,946 104.322,947 145.591,950 188.338,951 32.528,952 113.064,953 54.032,954 50.29,955 188.338,956 104.322,957 145.591,959 0.583,960 0.337,961 0.187,962 0.097,963 21,964 9,965 0.061,966 3,967 1,968 1.095,969 3.994,970 227.76,971 0.095,972 21,973 122.382,979 17.317,980 7.256,981 3.712,983 104.322,984 20.974,989 6.314,991 54.032,992 438.251,993 41,998 24,1002 -0.318,1005 46.029,1006 51.235,1007 0.27,1008 0.586,1009 0.742,1010 0.884,1011 0.934,1012 0.942,1013 4.966,1014 1.543,1015 5.808,1016 4.574,1017 4.443,1018 5.024,1019 2.15,1020 6.608,1021 4.421,1022 6.175,1023 1.192,1024 7.357,1025 3.703,1026 4.007,1027 4.783,1028 1.195,1029 7.476,1030 3.991,1031 7.479,1032 1.171,1033 9.004,1034 3.211,1035 6.023,1036 7.19,1037 2.64,1038 10.584,1039 5.98,1040 8.816,1041 1,1042 10.71,1043 2.587,1044 6.399,1045 7.73,1046 2.324,1047 12.323,1048 6.362,1049 10.182,1050 0.746,1051 12.456,1052 2.275,1053 7.886,1054 9.626,1055 3.362,1056 14.952,1057 7.83,1058 11.569,1059 0.086,1060 14.231,1061 1.769,1062 8.65,1063 10.556,1064 3.407,1065 17.071,1066 8.601,1067 12.975,1068 -0.218,1069 16.029,1070 0.23,1071 9.918,1072 12.218,1073 4.212,1074 19.545,1075 9.857,1076 3.198,1077 -0.426,1078 17.846,1079 -0.533,1080 10.875,1081 13.361,1082 4.464,1083 21.828,1084 10.82,1085 2.757,1086 11.163,1087 19.677,1088 -0.996,1089 12.055,1090 14.903,1091 5.137,1092 24.253,1093 11.994,1094 2.67,1095 8.585,1096 21.521,1097 4.224,1098 13.106,1099 16.167,1100 5.504,1101 26.607,1102 13.048,1103 2.46,1104 7.798,1105 23.376,1106 3.67,1107 14.254,1108 17.649,1109 6.102,1110 29.019,1111 14.195,1112 2.128,1113 7.161,1114 25.239,1115 3.625,1116 15.352,1117 18.982,1118 6.531,1119 31.404,1120 15.296,1121 1.813,1122 5.789,1123 27.11,1124 3.129,1125 16.493,1126 20.435,1127 7.088,1128 33.814,1129 16.437,1130 1.649,1131 5.281,1132 28.988,1133 2.777,1134 17.616,1135 21.809,1136 7.551,1137 36.213,1138 17.562,1139 9419,1140 15388,1141 20.285,1142 32.017,1143 45.177,1144 46.801,1145 46.373,1146 44.738,1147 44.826,1148 60.143,1149 6.914,1150 128.249,1151 44.381,1152 5.412,1153 5.65,1154 6.348,1155 5.238,1156 5.198,1157 7.224,1158 2.912,1159 18.516,1160 5.194,1161 11.867,1162 1.506,1163 1.56,1164 1.546,1165 1.491,1166 1.494,1167 2.005,1168 0.23,1169 4.275,1170 1.479,1171 4.065,1172 4.089,1173 4.021,1174 4.006,1175 7.432,1176 4.006,1177 3.929,1178 3.963,1179 3.868,1180 3.856,1181 7.428,1182 3.853,1183 3.827,1184 3.86,1185 3.769,1186 3.742,1187 4.827,1188 3.744,1189 3.449,1190 3.496,1191 3.393,1192 3.21,1193 4.75,1194 3.242,1195 3.36,1196 3.417,1197 3.268,1198 3.149,1199 4.597,1200 3.174,1201 3.153,1202 3.233,1203 2.976,1204 2.999,1205 4.056,1206 2.985,1207 3.007,1208 3.05,1209 2.9,1210 2.877,1211 4.032,1212 2.879,1213 2.854,1214 2.925,1215 2.72,1216 2.735,1217 3.875,1218 2.715,1219 0.151,1220 0.122,1221 0.226,1222 0.14,1223 0.107,1224 4.543,1225 0.141,1226 3.65,1227 0.055,1228 6.792,1229 0.372,1230 4.198,1231 0.106,1232 3.198,1233 4.224,1234 1.656,1235 11.163,1236 3.194,1237 1.994,1238 1.976,1239 2.078,1240 2.061,1241 1.243,1242 2.066,1243 1.914,1244 1.884,1245 2.036,1246 2.007,1247 1.131,1248 2.018,1249 1.768,1250 1.742,1251 1.881,1252 1.865,1253 0.995,1254 1.871,1255 1.365,1256 1.309,1257 1.575,1258 1.658,1259 0.715,1260 1.63,1261 1.298,1262 1.239,1263 1.559,1264 1.585,1265 0.615,1266 1.56,1267 1.157,1268 1.087,1269 1.373,1270 1.387,1271 0.356,1272 1.417,1273 1.032,1274 0.999,1275 1.197,1276 1.214,1277 0.255,1278 1.213,1279 0.908,1280 0.854,1281 1.181,1282 1.102,1283 0.218,1284 1.115,1285 4.111,1287 5.434,1288 2.398,1289 6.946,1290 4.727,1291 8.545,1292 6.823,1293 10.19,1295 1.977,1301 0.545,1303 8.507,1312 30.708,1313 68.511,1314 148.857,1315 188.52,1316 224.574,1317 237.329,1318 239.329,1319 41.171,1320 7.567,1321 70.23,1322 70.23,1323 23,1324 12.504,1325 4.392,1326 3.585,1327 40.545,1328 119,1329 99,1330 0.169,1331 188.402,1332 328.56,1333 451.462,1334 21456,1336 18.803,1337 0.696,1338 0.551,1339 18.803,1340 14.874,1341 13.097,1342 0.437,1343 0.292,1344 8.671,1345 12.766,1346 8.439,1347 7.028,1348 13.097,1349 8.752,1350 11.972,1351 0.285,1352 0.156,1353 11.972,1354 6.54,1355 9.874,1356 0.18,1357 0.083,1358 9.874,1359 4.576,1360 8.584,1361 0.118,1362 0.045,1363 8.584,1364 3.274,1365 6.607,1366 0.076,1367 0.024,1368 6.607,1369 2.079,1370 0.271,1371 81.009,1372 0.222,1373 26.358,1374 0.443,1375 144,1376 398.47,1377 154.423,1378 394.284,1379 541.27,1380 368,1381 169,1382 399.47,1383 178.15,1384 409.678,1385 596.45,1386 386,1387 5.9} {0 CHEMBL1870106,1 1.713,2 8.6,3 -0.805,4 0.648,5 90.973,6 7.963,7 0.536,8 3.916,9 4.053,10 3.536,11 3.334,12 5.111,13 3.364,14 4.443,15 4.634,16 3.919,17 3.75,18 5.543,19 3.761,20 4.652,21 4.874,22 3.956,23 3.852,24 5.773,25 3.833,26 4.728,27 4.946,28 4.015,29 3.878,30 5.925,31 3.868,32 4.63,33 4.804,34 3.991,35 3.874,36 5.887,37 3.87,38 4.744,39 4.96,40 3.877,41 3.855,42 5.885,43 3.826,44 4.726,45 4.975,46 3.698,47 3.722,48 5.869,49 3.664,50 4.488,51 4.767,52 3.319,53 3.455,54 5.592,55 3.324,56 0.203,57 0.722,58 8.421,59 2.896,60 18.227,61 4.252,62 0.368,63 1.118,64 16.381,65 5.002,66 26.12,67 7.615,68 0.51,69 1.222,70 21.928,71 6.467,72 44.685,73 9.886,74 0.811,75 1.236,76 24.955,77 6.988,78 69.205,79 10.184,80 0.471,81 1.228,82 19.729,83 6.273,84 55.149,85 9.083,86 0.621,87 1.238,88 24.447,89 6.151,90 59.829,91 9.58,92 0.817,93 1.084,94 26,95 5.941,96 75.798,97 9.427,98 0.636,99 0.791,100 21.544,101 5.78,102 64.527,103 9.415,104 18,105 41,106 0.297,107 0.684,108 0.827,109 0.873,110 0.873,111 0.873,112 3.269,113 0.865,114 -2.07,115 -2.12,116 -2.11,119 34.9,120 1,121 1,125 3,127 1,143 1,145 2,146 2,147 1,152 1,158 1,161 1,163 2,164 2,165 2,166 2,174 3,175 6,177 1,178 1,180 1,185 1,187 3,188 1,190 3,191 3,199 9,200 2,202 2,203 2,208 2,212 2,213 2,215 1,216 1,218 1,223 1,224 1,225 9,230 2,235 2,238 4,239 1,241 3,242 3,252 4,255 3,256 3,261 1,266 1,271 1,276 1,278 859,279 17.008,280 17.008,281 17.008,282 17.008,283 17.008,284 15.179,285 17.16,286 9.739,287 17.437,288 13.732,289 13.732,290 13.732,291 13.732,292 13.732,293 10.825,294 16.948,295 4.485,296 14.4,297 3.713,298 1.483,299 0.657,300 0.39,301 0.39,302 0.39,303 3.959,308 1,309 469,310 2.915,313 169.887,314 63.738,317 94.204,321 1.344,322 30.007,325 1,326 0.83,327 1,328 0.8,329 0.5,330 0.83,331 0.5,332 0.78,333 56,334 215,335 4.769,336 3.733,337 7.077,338 4.315,339 3.36,340 4.721,341 1.2,342 12.24,343 3.213,344 4.299,345 3.3,346 6.541,347 3.949,348 2.985,349 3.926,350 0.293,351 10.203,352 2.869,353 4.008,354 2.846,355 6.144,356 3.693,357 2.74,358 3.37,360 8.856,361 2.606,362 3.553,363 2.639,364 5.501,365 3.303,366 2.332,367 2.883,369 6.904,370 2.262,371 3.427,372 2.198,373 5.265,374 3.008,375 2.062,376 2.628,378 6.262,379 1.943,380 3.072,381 1.902,382 4.893,383 2.72,384 1.775,385 2.188,387 5.278,388 1.674,389 2.875,390 1.796,391 4.611,392 2.439,393 1.499,394 2.014,396 4.296,397 1.407,398 2.565,399 1.531,400 3.934,401 2.146,402 1.217,403 1.591,405 2.791,406 1.127,407 2.531,408 1.241,409 3.649,410 2.103,411 1.133,412 1.539,414 2.608,415 1.096,416 2.259,417 1.186,418 3.538,419 1.869,420 0.877,421 1.14,423 2.198,424 0.862,425 2.111,426 0.825,427 3.38,428 1.659,429 0.708,430 0.919,432 1.785,433 0.671,434 1.686,435 0.719,436 3.26,437 1.577,438 0.59,439 0.647,441 1.419,442 0.578,443 1.502,444 0.343,445 2.812,446 1.203,447 0.234,448 0.292,450 0.398,451 0.225,452 0.945,453 -0.21,454 2.483,455 0.474,456 -0.484,457 -0.615,459 -1.124,460 -0.461,461 0.638,462 -0.401,463 2.322,464 0.304,465 -0.665,466 -0.761,468 -1.6,469 -0.633,470 11.367,471 0.455,472 0.661,473 0.026,474 32.25,475 1.29,476 14,477 0.56,478 18.25,479 0.73,480 20.268,481 0.811,482 27.633,483 0.643,484 24.378,485 0.975,486 6.269,487 0.251,488 5.828,489 0.233,490 0.144,492 0.422,497 0.751,498 1.518,499 0.727,500 1.123,501 0.753,502 0.937,503 0.745,504 1.225,505 0.715,506 0.981,507 0.567,508 0.847,509 0.747,510 1.042,511 0.815,512 1.027,513 0.773,514 0.941,515 0.994,516 0.745,517 0.86,518 0.795,519 1.384,520 0.815,521 1.058,522 1.379,523 0.999,524 1.311,525 1.232,526 1.172,527 1.352,528 1.246,529 1.219,530 1.17,531 1.317,532 1.165,533 1.274,534 0.838,535 1.279,536 0.98,537 1.177,538 1.11,539 0.524,540 0.87,541 0.997,542 1.114,543 0.556,544 1.16,545 4.5,546 0.07,547 3.333,548 2.576,549 1.628,550 1.122,551 0.587,552 0.369,553 0.231,554 0.074,555 6415,556 18821,557 2.105,558 41.9,560 7,562 2,563 4,565 3,566 2,568 1.687,569 1.948,570 3.091,571 1.894,578 73.667,579 1.713,580 3.943,581 4.769,582 5.037,583 5.037,584 5.037,585 2.519,586 4.244,587 4.615,588 3.225,589 967.357,590 8.021,591 11165.2,596 233.329,597 1.473,598 4.565,599 0.161,600 0.009,601 0.081,602 0.063,603 0.038,604 0.027,605 0.016,606 0.013,607 0.013,608 0.006,609 0.427,610 0.33,611 1,612 0.795,613 117.32,614 0.045,615 -0.209,616 0.055,617 -0.021,618 -0.058,619 0.017,620 0.033,621 -0.053,622 0.148,623 0.065,624 0.071,625 0.127,626 0.075,627 0.022,628 0.107,629 -0.006,630 0.07,631 0.051,632 0.124,633 0.258,634 0.113,635 0.197,636 -0.05,637 0.149,638 -0.077,639 -0.25,640 -0.12,641 -0.245,642 -0.025,643 -0.2,644 -0.308,645 -0.22,646 -0.271,647 -0.195,648 -0.214,649 -0.219,650 -0.156,651 0.104,652 -0.269,653 -0.074,654 -0.123,655 -0.182,656 0.34,657 -0.018,658 0.032,659 -0.133,660 0.306,661 -0.124,662 1.765,663 5.955,664 0.76,665 18.854,666 1.021,667 1.151,668 0.843,669 0.711,670 0.646,671 3.367,672 3.738,673 4.094,674 4.431,675 4.605,676 4.754,677 4.905,678 5.037,679 5.075,680 5.088,681 5.245,682 0.633,683 342.41,684 3.367,685 4.934,686 5.826,687 6.742,688 7.654,689 8.576,690 9.496,691 10.422,692 11.345,693 12.273,694 18.6,695 1,698 1,701 1,702 1,704 4,708 2,709 2,710 4,712 1,714 4,715 1,716 15,724 1,727 1,735 43,737 16,739 28,741 46,742 15,743 8,746 1,748 4,749 5,754 1,757 2,760 2,762 9,763 6,767 1,772 1,776 1,780 1,783 18,784 9,785 4,786 10,789 1,792 8,796 0.75,797 2,808 1,811 1,814 3,815 1,818 1,835 1,842 3,846 1,850 25,851 2,856 4,861 1,862 1,872 4.7,875 1,877 1,879 12.833,880 7.95,881 5.472,882 2.649,884 2.95,885 1.396,886 1.001,887 3.996,888 10.395,889 3.624,890 4.27,891 4.951,892 5.618,893 6.11,894 6.571,895 7.06,896 7.491,897 7.752,898 8.027,899 0.833,900 41,901 9.221,903 4.043,904 7.88,905 17.312,907 14.465,909 2.38,910 59.5,914 164.795,915 55.363,916 143.582,918 35.106,921 55.363,922 199.901,923 143.582,924 8.825,925 44.873,926 32.897,927 128.484,928 38.041,929 4.472,930 141.253,932 164.795,933 198.945,934 35.106,937 105.94,938 93.961,941 80.921,942 45.259,943 72.764,945 164.795,946 178.688,947 55.363,950 164.795,951 28.443,952 31.943,954 173.664,955 164.795,956 178.688,957 55.363,959 0.589,960 0.368,961 0.213,962 0.11,963 22,964 10,965 0.065,966 3,967 1,968 1.105,969 3.563,970 223.976,971 0.105,972 19,973 116.096,979 16.148,980 6.187,981 2.608,982 1.286,983 176.789,984 3.178,985 16.132,987 4.683,989 1.481,990 1.871,991 65.794,992 398.846,993 36.5,998 12.955,1002 -0.099,1005 43.887,1006 49.481,1007 0.316,1008 0.727,1009 0.879,1010 0.928,1011 0.928,1012 0.928,1013 4.888,1014 1.217,1015 5.838,1016 4.296,1017 4.419,1018 4.956,1019 1.356,1020 6.73,1021 4.328,1022 6.115,1023 1.133,1024 7.447,1025 2.791,1026 4.111,1027 4.89,1028 0.325,1029 7.789,1030 3.981,1031 7.449,1032 0.877,1033 9.159,1034 2.608,1035 6.084,1036 7.239,1037 1.511,1038 10.956,1039 5.905,1040 8.827,1041 0.708,1042 10.931,1043 2.198,1044 6.635,1045 8.076,1046 0.653,1047 12.867,1048 6.417,1049 10.243,1050 0.59,1051 12.743,1052 1.785,1053 8.077,1054 9.893,1055 1.739,1056 15.563,1057 7.812,1058 11.685,1059 0.234,1060 14.581,1061 1.419,1062 8.992,1063 11.125,1064 1.001,1065 17.81,1066 8.686,1067 13.148,1068 -0.484,1069 16.439,1070 0.398,1071 10.252,1072 12.755,1073 1.993,1074 20.36,1075 9.901,1076 3.36,1077 -0.665,1078 18.312,1079 -1.124,1080 11.322,1081 14.162,1082 1.37,1083 22.746,1084 10.927,1085 2.985,1086 12.24,1087 20.198,1088 -1.6,1089 12.523,1090 15.727,1091 2.264,1092 25.25,1093 12.084,1094 2.74,1095 10.203,1096 22.092,1097 4.721,1098 13.659,1099 17.21,1100 1.754,1101 27.696,1102 13.175,1103 2.332,1104 8.856,1105 23.994,1106 3.926,1107 14.845,1108 18.756,1109 2.551,1110 30.189,1111 14.317,1112 2.062,1113 6.904,1114 25.903,1115 3.37,1116 16.011,1117 20.272,1118 2.143,1119 32.662,1120 15.438,1121 1.775,1122 6.262,1123 27.817,1124 2.883,1125 17.197,1126 21.815,1127 2.851,1128 35.154,1129 16.58,1130 1.499,1131 5.278,1132 29.736,1133 2.628,1134 18.378,1135 23.347,1136 2.535,1137 37.64,1138 17.716,1139 6157,1140 10724,1141 18.611,1142 27.762,1143 43.425,1144 44.062,1145 45.301,1146 43.082,1147 43.023,1148 55.716,1149 2.986,1150 130.476,1151 41.067,1152 5.703,1153 5.733,1154 6.596,1155 5.373,1156 5.36,1157 7.721,1158 2.293,1159 19.945,1160 5.16,1161 12.374,1162 1.551,1163 1.574,1164 1.618,1165 1.539,1166 1.537,1167 1.99,1168 0.107,1169 4.66,1170 1.467,1171 4.147,1172 4.189,1173 4.129,1174 3.994,1175 7.428,1176 4.023,1177 3.857,1178 3.921,1179 3.787,1180 3.673,1181 5.437,1182 3.683,1183 3.757,1184 3.801,1185 3.708,1186 3.51,1187 5.032,1188 3.556,1189 3.482,1190 3.561,1191 3.359,1192 3.274,1193 5.001,1194 3.277,1195 3.26,1196 3.308,1197 3.176,1198 3.044,1199 4.849,1200 3.073,1201 3.076,1202 3.169,1203 2.948,1204 2.795,1205 4.463,1206 2.829,1207 2.957,1208 3.061,1209 2.727,1210 2.713,1211 4.107,1212 2.695,1213 2.804,1214 2.936,1215 2.624,1216 2.507,1217 4.008,1218 2.511,1219 0.17,1220 0.133,1221 0.253,1222 0.154,1223 0.12,1224 4.769,1225 0.169,1226 3.733,1227 0.043,1228 7.077,1229 0.437,1230 4.315,1231 0.115,1232 3.36,1233 4.721,1234 1.2,1235 12.24,1236 3.213,1237 1.899,1238 1.869,1239 1.969,1240 2.044,1241 1.179,1242 2.023,1243 1.634,1244 1.578,1245 1.848,1246 1.844,1247 1.165,1248 1.83,1249 1.598,1250 1.528,1251 1.81,1252 1.804,1253 0.985,1254 1.822,1255 1.464,1256 1.397,1257 1.667,1258 1.715,1259 0.876,1260 1.704,1261 1.376,1262 1.303,1263 1.554,1264 1.619,1265 0.599,1266 1.612,1267 1.075,1268 1.009,1269 1.262,1270 1.484,1271 0.209,1272 1.395,1273 0.912,1274 0.867,1275 1.124,1276 1.255,1277 0.184,1278 1.194,1279 0.767,1280 0.694,1281 1.072,1282 1.141,1283 0.078,1284 1.116,1285 4.043,1287 5.398,1288 3.434,1289 6.942,1290 5.778,1291 8.577,1292 7.854,1293 10.266,1295 1.953,1299 11.733,1301 2.558,1306 0.017,1307 1.75,1312 27.235,1313 73.667,1314 169.555,1315 205.065,1316 216.574,1317 216.574,1318 216.574,1319 43.573,1320 7.445,1321 141.98,1322 141.98,1323 21,1324 12.777,1325 4.087,1326 3.248,1327 35.629,1328 77,1329 84,1330 0.23,1331 166.937,1332 273.02,1333 399.086,1334 15561,1336 17.552,1337 0.702,1338 0.549,1339 17.552,1340 13.715,1341 12.097,1342 0.432,1343 0.288,1344 7.9,1345 11.377,1346 7.775,1347 6.416,1348 12.097,1349 8.073,1350 11.013,1351 0.269,1352 0.147,1353 11.013,1354 6.032,1355 9.874,1356 0.167,1357 0.075,1358 9.874,1359 4.434,1360 8.671,1361 0.104,1362 0.039,1363 8.671,1364 3.226,1365 6.563,1366 0.066,1367 0.02,1368 6.563,1369 1.947,1370 0.345,1371 77.663,1372 0.232,1373 23.559,1374 0.683,1375 138,1376 443.966,1377 157.358,1378 425.304,1379 588.42,1380 396,1381 169,1382 460.156,1383 191.382,1384 454.871,1385 669.32,1386 427,1387 7.1} {0 CHEMBL1879463,1 1.427,2 12.778,3 5.365,4 28.788,5 138.345,6 7.959,7 0.683,8 4.186,9 4.293,10 3.831,11 3.831,12 5.352,13 3.809,14 4.701,15 4.853,16 4.247,17 4.259,18 5.79,19 4.228,20 4.961,21 5.118,22 4.386,23 4.451,24 6.112,25 4.401,26 5.111,27 5.314,28 4.316,29 4.46,30 6.247,31 4.384,32 5.065,33 5.282,34 4.243,35 4.389,36 6.169,37 4.309,38 4.93,39 5.132,40 4.163,41 4.299,42 5.992,43 4.224,44 4.891,45 5.095,46 4.144,47 4.274,48 5.936,49 4.201,50 4.9,51 5.102,52 4.154,53 4.259,54 6.007,55 4.188,56 0.013,57 0.821,58 9.883,59 4.864,60 10.513,61 6.131,62 0.221,63 1.395,64 19.087,65 8.289,66 20.372,67 10.796,68 0.117,69 1.784,70 24.821,71 11.086,72 25.032,73 14.241,74 0.316,75 2.079,76 32.936,77 12.875,78 66.848,79 16.536,80 0.32,81 1.925,82 33.019,83 13.074,84 62.599,85 17.165,86 0.197,87 1.689,88 27.62,89 11.36,90 41.925,91 14.822,92 0.281,93 1.679,94 26.332,95 10.54,96 35.106,97 13.797,98 0.166,99 1.635,100 26.695,101 11.189,102 36.498,103 14.729,104 28,105 62,106 0.225,107 0.549,108 0.711,109 0.831,110 0.847,111 0.847,112 3.616,113 0.86,114 -4.35,115 -4.29,116 -4.04,119 50.8,120 2,123 1,124 1,142 12,143 5,144 3,145 2,146 2,158 1,159 1,172 18,174 3,175 9,183 22,187 1,188 13,196 20,199 1,200 15,208 14,212 1,213 15,221 11,225 12,233 14,238 3,239 9,247 16,252 1,253 9,261 13,265 3,266 10,274 10,278 2486,279 24.411,280 24.411,281 24.411,282 24.411,283 24.411,284 21.138,285 20,286 13.679,287 24.703,288 20.099,289 20.099,290 20.099,291 20.099,292 20.099,293 14.925,294 28.418,295 6.346,296 20.579,297 4.455,298 2.4,299 1.378,300 0.615,301 0.513,302 0.513,303 4.332,308 1,309 1024,310 3.674,313 66.636,314 423.216,317 116.428,318 275.81,321 1.988,322 26.952,325 1,326 0.67,327 1,328 0.6,329 0.5,330 1,331 1,332 0.82,333 75.5,334 460,335 4.746,336 4.38,337 7.287,338 4.403,339 3.444,340 4.593,341 2.517,342 12.79,343 3.366,344 4.541,345 3.941,346 7.228,347 4.355,348 3.362,349 4.348,350 1.741,351 12.333,352 3.278,353 4.443,354 3.322,355 6.38,356 3.997,357 3.01,358 3.923,359 0.693,360 9.788,361 2.968,362 4.227,363 3.121,364 6.233,365 3.793,366 2.814,367 3.71,368 0.343,369 9.294,370 2.75,371 3.93,372 2.955,373 6.009,374 3.529,375 2.551,376 3.414,378 8.444,379 2.499,380 3.804,381 2.742,382 5.944,383 3.435,384 2.467,385 3.183,387 8.219,388 2.381,389 3.393,390 2.64,391 5.395,392 2.902,393 1.919,394 2.624,396 6.193,397 1.888,398 3.336,399 2.396,400 5.04,401 2.88,402 1.904,403 2.581,405 5.612,406 1.84,407 3.178,408 2.028,409 4.762,410 2.597,411 1.618,412 2.427,414 4.712,415 1.586,416 3.118,417 1.695,418 4.505,419 2.584,420 1.614,421 2.332,423 4.489,424 1.56,425 3.041,426 1.618,427 4.366,428 2.515,429 1.52,430 2.179,432 4.097,433 1.509,434 2.808,435 1.585,436 4.228,437 2.301,438 1.31,439 1.946,441 3.291,442 1.297,443 2.736,444 1.364,445 3.609,446 2.085,447 1.12,448 1.5,450 2.941,451 1.078,452 2.5,453 1.244,454 3.485,455 2,456 1,457 1.432,459 2.275,460 1,461 2.42,462 1.11,463 3.414,464 1.798,465 0.834,466 1.183,468 2.016,469 0.8,470 17.333,471 0.481,472 1.061,473 0.029,474 55,475 1.528,476 31.5,477 0.875,478 23.5,479 0.653,480 28.947,481 0.804,482 34.867,483 0.591,484 45.486,485 1.263,486 10.424,487 0.29,488 6.945,489 0.193,490 0.129,491 0.029,492 0.363,497 0.677,498 1.179,499 0.696,500 0.945,501 0.528,502 0.844,503 0.632,504 0.898,505 0.693,506 0.759,507 0.492,508 0.733,509 0.879,510 1.187,511 0.929,512 1.102,513 0.754,514 1.035,515 1.323,516 1.023,517 1.118,518 1.014,519 1.356,520 1.034,521 1.177,522 0.939,523 0.976,524 0.934,525 1.134,526 0.934,527 1.124,528 1.062,529 0.979,530 1.008,531 1.04,532 0.986,533 1.027,534 0.875,535 1.001,536 0.927,537 0.742,538 0.95,539 0.986,540 1.101,541 0.914,542 1.065,543 0.874,544 1.001,545 7.5,546 0.341,547 5.556,548 3.111,549 2.606,550 1.706,551 0.867,552 0.907,553 0.698,554 0.422,555 19352,556 48630,557 2.144,558 39,559 6,560 15,562 2,568 1.778,569 1.991,570 3.596,571 -0.827,578 84.218,579 1.427,580 3.483,581 4.505,582 5.268,583 5.37,584 5.37,585 3.051,586 4.739,587 5.137,588 3.769,589 2374.53,590 9.053,591 36183,596 347.076,597 1.581,598 5.092,599 0.183,600 0.009,601 0.09,602 0.045,603 0.042,604 0.029,605 0.016,606 0.017,607 0.013,608 0.009,609 0.453,610 0.33,611 0.75,612 0.826,613 193.699,614 0.01,615 -0.16,616 0.065,617 -0.043,618 -0.021,619 0.004,620 0.208,621 0.139,622 0.157,623 0.162,624 0.038,625 0.155,626 0.005,627 -0.182,628 -0.062,629 -0.168,630 0.01,631 -0.131,632 -0.16,634 -0.147,635 -0.061,636 -0.153,637 -0.093,638 -0.03,639 0.038,640 0.031,641 0.056,642 -0.012,643 0.053,644 -0.079,645 -0.087,646 -0.008,647 -0.028,648 -0.067,649 -0.015,650 -0.01,651 0.144,652 -0.04,653 0.031,654 -0.029,655 0.001,656 0.051,657 -0.136,658 0.059,659 -0.081,660 0.08,661 -0.023,662 1.859,663 6.407,664 0.806,665 39.957,666 0.996,667 1.109,668 3.123,669 9.75,670 0.718,671 3.738,672 4.143,673 4.5,674 4.804,675 5.124,676 5.308,677 5.545,678 5.762,679 5.966,680 6.105,681 7.32,682 0.688,683 469.58,684 3.738,685 5.333,686 6.232,687 7.154,688 8.071,689 8.998,690 9.921,691 10.852,692 11.78,693 12.713,694 8.5,701 2,703 1,704 2,708 4,709 14,710 2,714 6,716 28,735 59,737 30,738 3,739 41,741 64,742 30,743 24,744 7,745 11,748 6,749 10,753 1,754 2,755 1,761 1,762 25,763 4,767 1,772 1,776 1,783 23,784 6,786 6,792 5,796 0.5,797 1,808 2,814 1,815 5,818 1,819 2,824 1,842 3,846 3,850 36,862 2,863 1,864 1,868 1,870 1,872 1.7,875 1,879 18.083,880 12.083,881 7.653,882 3.546,884 5.677,885 1.612,886 1.031,887 4.95,888 14.95,889 4.078,890 4.749,891 5.44,892 6.083,893 6.751,894 7.185,895 7.736,896 8.268,897 8.796,898 9.212,899 0.889,900 69,901 13.291,903 5.86,904 7.697,905 25.423,907 21.692,909 2.197,910 79.083,914 270.735,915 205.995,916 70.879,918 25.145,921 205.995,922 295.88,923 70.879,924 26.047,925 6.249,926 113.715,927 98.86,928 76.415,929 4.276,930 247.193,932 270.735,933 276.874,934 25.145,937 270.735,938 25.145,941 77.342,942 165.962,943 33.571,945 270.735,946 96.024,947 205.995,950 270.735,951 31.537,952 164.105,953 16.602,954 89.775,955 270.735,956 96.024,957 205.995,959 0.602,960 0.372,961 0.195,962 0.108,963 34,964 15,965 0.047,966 3,967 3,968 1.207,969 4.476,970 382.124,971 0.207,972 29,973 180.117,979 22.074,980 8.073,981 3.497,982 3.716,983 96.024,984 27.544,985 9.256,989 5.204,992 572.755,993 58,998 13.407,1002 -0.149,1005 58.789,1006 65.438,1007 0.243,1008 0.592,1009 0.766,1010 0.896,1011 0.913,1012 0.913,1013 5.357,1014 1.904,1015 6.271,1016 6.193,1017 4.828,1018 5.438,1019 2.983,1020 7.189,1021 4.782,1022 6.617,1023 1.618,1024 7.905,1025 5.612,1026 4.635,1027 5.352,1028 1.404,1029 8.412,1030 4.57,1031 7.966,1032 1.614,1033 9.646,1034 4.712,1035 6.564,1036 7.745,1037 4.54,1038 11.511,1039 6.471,1040 9.352,1041 1.52,1042 11.45,1043 4.489,1044 7.186,1045 8.471,1046 2.602,1047 13.539,1048 7.073,1049 10.77,1050 1.31,1051 13.294,1052 4.097,1053 8.629,1054 10.343,1055 6.295,1056 16.22,1057 8.492,1058 12.21,1059 1.12,1060 15.166,1061 3.291,1062 9.593,1063 11.454,1064 3.779,1065 18.553,1066 9.433,1067 13.669,1068 1,1069 17.058,1070 2.941,1071 10.871,1072 13.109,1073 8.106,1074 21.118,1075 10.689,1076 3.444,1077 0.834,1078 18.965,1079 2.275,1080 11.977,1081 14.413,1082 4.932,1083 23.569,1084 11.771,1085 3.362,1086 12.79,1087 20.884,1088 2.016,1089 13.202,1090 15.973,1091 9.936,1092 26.103,1093 12.974,1094 3.01,1095 12.333,1096 22.813,1097 4.593,1098 14.368,1099 17.374,1100 6.067,1101 28.601,1102 14.116,1103 2.814,1104 9.788,1105 24.75,1106 4.348,1107 15.579,1108 18.895,1109 11.775,1110 31.13,1111 15.303,1112 2.551,1113 9.294,1114 26.694,1115 3.923,1116 16.772,1117 20.344,1118 7.191,1119 33.648,1120 16.472,1121 2.467,1122 8.444,1123 28.643,1124 3.71,1125 17.982,1126 21.851,1127 13.618,1128 36.178,1129 17.659,1130 1.919,1131 8.219,1132 30.597,1133 3.414,1134 19.188,1135 23.326,1136 8.309,1137 38.705,1138 18.84,1139 17874,1140 28481,1141 27.452,1142 42.336,1143 65.48,1144 67.704,1145 65.721,1146 63.23,1147 63.233,1148 86.437,1149 10.588,1150 197.528,1151 61.759,1152 5.619,1153 6.38,1154 6.974,1155 5.456,1156 5.444,1157 7.593,1158 5.034,1159 20.508,1160 5.366,1161 18.114,1162 1.597,1163 1.651,1164 1.603,1165 1.542,1166 1.542,1167 2.108,1168 0.258,1169 4.818,1170 1.506,1171 4.162,1172 4.189,1173 4.134,1174 4.089,1175 7.428,1176 4.096,1177 4.027,1178 4.056,1179 3.991,1180 3.95,1181 6.817,1182 3.956,1183 3.934,1184 3.963,1185 3.88,1186 3.879,1187 5.039,1188 3.876,1189 3.695,1190 3.736,1191 3.644,1192 3.565,1193 4.931,1194 3.578,1195 3.544,1196 3.597,1197 3.457,1198 3.437,1199 4.718,1200 3.434,1201 3.421,1202 3.469,1203 3.345,1204 3.29,1205 4.444,1206 3.297,1207 3.16,1208 3.223,1209 3.081,1210 2.975,1211 4.284,1212 2.992,1213 3.056,1214 3.133,1215 2.905,1216 2.871,1217 4.141,1218 2.87,1219 0.116,1220 0.107,1221 0.178,1222 0.107,1223 0.084,1224 4.746,1225 0.112,1226 4.38,1227 0.061,1228 7.287,1229 0.312,1230 4.403,1231 0.082,1232 3.444,1233 4.593,1234 2.517,1235 12.79,1236 3.366,1237 2.088,1238 2.067,1239 2.152,1240 2.161,1241 1.294,1242 2.16,1243 1.984,1244 1.96,1245 2.069,1246 2.069,1247 1.225,1248 2.069,1249 1.933,1250 1.908,1251 2.031,1252 2.017,1253 1.164,1254 2.024,1255 1.589,1256 1.543,1257 1.789,1258 1.77,1259 0.901,1260 1.768,1261 1.555,1262 1.514,1263 1.709,1264 1.709,1265 0.808,1266 1.718,1267 1.393,1268 1.338,1269 1.596,1270 1.579,1271 0.67,1272 1.586,1273 1.232,1274 1.188,1275 1.417,1276 1.4,1277 0.499,1278 1.403,1279 1.003,1280 0.936,1281 1.414,1282 1.253,1283 0.469,1284 1.308,1285 4.419,1287 5.802,1288 2.398,1289 7.393,1290 4.949,1291 9.071,1292 7.222,1293 10.793,1295 5.53,1307 3.351,1308 -0.609,1310 9.499,1311 2.333,1312 40.563,1313 84.218,1314 205.469,1315 265.792,1316 310.811,1317 316.811,1318 316.811,1319 58.49,1320 9.274,1321 76.5,1322 76.5,1323 35,1324 13.214,1325 4.954,1326 4.17,1327 48.896,1328 153,1329 172,1330 0.153,1331 245.31,1332 420.45,1333 590.316,1334 158616,1336 25.026,1337 0.695,1338 0.562,1339 25.026,1340 20.227,1341 17.369,1342 0.424,1343 0.287,1344 11.642,1345 16.949,1346 11.229,1347 9.344,1348 17.369,1349 11.748,1350 16.443,1351 0.265,1352 0.155,1353 16.443,1354 9.601,1355 15.084,1356 0.169,1357 0.078,1358 15.084,1359 6.934,1360 12.407,1361 0.103,1362 0.039,1363 12.407,1364 4.737,1365 10.743,1366 0.064,1367 0.02,1368 10.743,1369 3.379,1370 0.237,1371 107.177,1372 0.191,1373 32.484,1374 0.428,1375 206,1376 527.961,1377 218.011,1378 531.824,1379 750.86,1380 498,1381 254,1382 578.369,1383 268.038,1384 596.739,1385 880.47,1386 561,1387 5.3} {0 CHEMBL189963,1 1.558,2 12.697,3 2.661,4 7.081,5 127.466,6 7.219,7 0.324,8 4.232,9 4.367,10 3.78,11 3.73,12 5.269,13 3.715,14 4.817,15 5.018,16 4.168,17 4.153,18 5.818,19 4.113,20 5.095,21 5.327,22 4.263,23 4.313,24 6.068,25 4.255,26 5.121,27 5.345,28 4.318,29 4.335,30 6.276,31 4.276,32 5.167,33 5.389,34 4.243,35 4.323,36 6.278,37 4.264,38 5.078,39 5.308,40 4.13,41 4.236,42 6.182,43 4.153,44 4.989,45 5.237,46 3.913,47 4.112,48 5.951,49 4.009,50 4.939,51 5.224,52 3.76,53 3.992,54 5.853,55 3.861,56 0.026,57 0.995,58 13.368,59 5.161,60 7.408,61 7.437,62 0.339,63 1.615,64 26.503,65 8.945,66 26.54,67 13.229,68 0.403,69 1.945,70 36.744,71 11.322,72 41.378,73 17.189,74 0.571,75 1.96,76 37.681,77 12.292,78 81.127,79 18.161,80 0.589,81 1.977,82 40.342,83 11.633,84 87.916,85 17.185,86 0.651,87 1.823,88 36.718,89 11.05,90 86.384,91 16.662,92 0.458,93 1.643,94 33.876,95 9.921,96 52.814,97 15.221,98 0.504,99 1.459,100 33.506,101 9.942,102 61.113,103 15.596,104 18,105 53,106 0.25,107 0.581,108 0.76,109 0.828,110 0.828,111 0.828,112 3.532,113 0.944,114 -4.3,115 -4.24,116 -4,119 38.7,120 2,121 4,125 4,127 1,136 2,142 2,143 1,144 1,145 2,147 2,150 1,156 1,158 1,172 7,174 3,175 11,178 3,180 1,183 7,187 1,188 9,191 1,193 1,196 1,199 6,200 17,203 1,205 1,208 6,213 6,216 1,218 2,221 6,224 4,225 8,228 2,230 5,233 7,238 2,239 6,244 2,247 6,252 1,253 5,256 1,257 1,258 1,261 5,265 1,266 4,274 6,278 1872,279 22.482,280 22.482,281 22.482,282 22.482,283 22.482,284 20.574,285 37.553,286 13.165,287 22.934,288 18.257,289 18.257,290 18.257,291 18.257,292 18.257,293 15.251,294 62.041,295 6.229,296 19.014,297 4.396,298 2.335,299 1.218,300 0.799,301 0.799,302 0.799,303 4.238,307 1,308 1,309 924,310 3.082,313 78.669,314 399.436,318 149.994,321 1.925,322 36.368,325 1,326 0.83,327 1,328 1,329 0.5,330 1,331 1,332 0.9,333 71.5,334 419,335 4.688,336 3.895,337 7.138,338 4.362,339 3.388,340 4.266,341 1.277,342 12.381,343 3.311,344 4.166,345 3.427,346 6.375,347 3.818,348 2.877,349 3.719,350 1.2,351 9.511,352 2.709,353 4.073,354 3.115,355 6.144,356 3.726,357 2.746,358 3.571,359 0.8,360 9.058,361 2.679,362 3.855,363 3.005,364 6.124,365 3.632,366 2.68,367 3.029,368 0.4,369 8.735,370 2.57,371 3.72,372 2.74,373 5.551,374 3.412,375 2.456,376 2.958,377 0.4,378 7.539,379 2.324,380 3.432,381 2.726,382 5.147,383 3.054,384 2.099,385 2.702,386 0.293,387 6.107,388 2.013,389 3.193,390 2.299,391 4.983,392 2.984,393 2,394 2.232,396 5.62,397 1.948,398 3.051,399 2.076,400 4.604,401 2.731,402 1.775,403 2.126,405 4.467,406 1.698,407 2.946,408 1.938,409 4.428,410 2.6,411 1.579,412 2.004,414 4.117,415 1.587,416 2.619,417 1.508,418 3.947,419 2.098,420 1.165,421 1.603,423 2.818,424 1.088,425 2.5,426 1.412,427 3.718,428 2.08,429 1.117,430 1.5,432 2.698,433 1.071,434 2.259,435 1.179,436 3.504,437 2.043,438 1.07,439 1.244,441 2.517,442 1.034,443 2.202,444 1.146,445 3.414,446 1.967,447 1,448 1.154,450 2.275,451 0.965,452 2,453 1,454 3.247,455 1.958,456 1,457 1,459 2.136,460 0.956,461 1.618,462 0.832,463 3.145,464 1.618,465 0.618,466 0.618,468 1.372,469 0.618,470 15.467,471 0.469,472 0.819,473 0.025,474 41,475 1.242,476 18,477 0.545,478 23,479 0.697,480 32.132,481 0.974,482 36.133,483 0.583,484 32.329,485 0.98,486 7.546,487 0.229,488 8.479,489 0.257,490 0.108,492 0.375,497 0.762,498 1.569,499 0.797,500 1.201,501 0.536,502 1.027,503 0.724,504 1.085,505 0.835,506 0.982,507 0.509,508 0.926,509 1.05,510 1.091,511 0.92,512 0.961,513 0.887,514 0.918,515 0.828,516 1.059,517 0.865,518 1.037,519 0.844,520 0.967,521 1.644,522 1.07,523 1.159,524 0.98,525 1.865,526 0.998,527 1.131,528 1.081,529 1.114,530 1.063,531 1.258,532 1.086,533 1.224,534 1.071,535 1.203,536 1.089,537 1.15,538 1.128,539 0.859,540 0.904,541 0.933,542 0.892,543 0.804,544 0.918,545 5.5,546 0.188,547 3.556,548 2.778,549 2.123,550 1.5,551 0.877,552 0.654,553 0.26,554 0.188,555 15946,556 37061,557 2.131,558 46.8,559 7,560 11,562 2,563 2,564 3,565 4,568 1.752,569 2,570 3.56,571 0.222,573 1,578 96.588,579 1.558,580 3.619,581 4.736,582 5.156,583 5.156,584 5.156,585 3.021,586 4.438,587 5.013,588 3.776,589 1993.8,590 8.78,591 29368.7,593 1,596 369.16,597 1.393,598 4.979,599 0.149,600 0.007,601 0.067,602 0.049,603 0.036,604 0.028,605 0.019,606 0.018,607 0.008,608 0.006,609 0.385,610 0.17,611 0.88,612 0.675,613 174.58,614 -0.04,615 -0.294,616 0.067,617 -0.09,618 -0.004,619 -0.01,620 0.128,621 0.073,622 0.095,623 0.035,624 0.093,625 0.054,626 -0.069,627 -0.033,628 0.05,629 0.024,630 -0.015,631 0.054,632 0.21,633 -0.017,634 0.106,635 -0.033,636 0.234,637 0.014,638 -0.273,639 -0.043,640 -0.149,641 -0.017,642 -0.243,643 -0.058,644 0.024,645 -0.048,646 -0.125,647 -0.093,648 -0.022,649 -0.13,650 -0.174,651 -0.05,652 -0.215,653 -0.135,654 -0.162,655 -0.173,656 0.053,657 0.013,658 0.069,659 0.063,660 0.043,661 0.067,662 1.914,663 6.329,664 0.818,665 35.416,666 1.001,667 1.137,668 3.073,669 9.442,670 0.65,671 3.638,672 3.989,673 4.317,674 4.635,675 4.868,676 5.024,677 5.176,678 5.323,679 5.375,680 5.447,681 7.385,682 0.619,683 447.6,684 3.638,685 5.198,686 6.075,687 6.976,688 7.871,689 8.78,690 9.683,691 10.598,692 11.505,693 12.424,694 11.3,696 1,700 1,701 1,702 1,704 3,709 4,710 3,714 5,716 12,728 1,730 1,735 62,737 15,739 37,741 66,742 24,743 9,746 4,748 5,749 6,754 2,757 5,760 5,762 13,763 11,767 3,772 2,776 4,780 1,783 29,784 9,785 2,786 9,792 7,796 0.8,797 2,808 1,809 1,814 1,815 4,819 1,826 1,829 1,834 2,837 1,842 4,846 2,850 33,856 8,858 2,861 1,862 2,872 3.2,875 2,879 16.5,880 11.75,881 7.167,882 4.049,884 2.754,885 1.332,886 0.997,887 6.135,888 11.053,889 3.85,890 4.407,891 4.966,892 5.528,893 6.04,894 6.367,895 6.752,896 7.186,897 7.478,898 7.793,899 1,900 57,901 12.313,903 5.378,904 7.692,905 23.779,907 20.148,909 2.192,910 72.333,913 1,914 317.82,915 101.965,916 92.627,918 50.29,921 101.965,922 368.11,923 92.627,924 17.65,925 21.685,926 36.963,927 134.027,928 51.543,929 6.555,930 294.278,932 317.82,933 194.592,934 50.29,937 270.735,938 97.374,941 95.351,942 48.884,943 50.357,945 317.82,946 142.917,947 101.965,950 317.82,951 47.267,952 60.946,953 36.022,954 100.646,955 317.82,956 142.917,957 101.965,959 0.586,960 0.354,961 0.203,962 0.106,963 27,964 12,965 0.076,966 5,967 1,968 1.074,969 4.341,970 321.554,971 0.074,972 27,973 158.465,979 21.998,980 9.204,981 4.255,983 142.917,984 7.511,985 13.721,989 3.415,991 36.022,992 562.702,993 46,998 25.596,1002 0.412,1005 62.087,1006 70.474,1007 0.262,1008 0.608,1009 0.795,1010 0.866,1011 0.866,1012 0.866,1013 5.124,1014 1.775,1015 6.071,1016 5.62,1017 4.673,1018 5.094,1019 2.168,1020 6.93,1021 4.598,1022 6.314,1023 1.579,1024 7.658,1025 4.467,1026 4.29,1027 4.902,1028 0.57,1029 7.936,1030 4.195,1031 7.626,1032 1.165,1033 9.349,1034 4.117,1035 6.304,1036 7.21,1037 2.344,1038 11.096,1039 6.155,1040 8.973,1041 1.117,1042 11.105,1043 2.818,1044 6.77,1045 7.839,1046 0.801,1047 12.957,1048 6.607,1049 10.355,1050 1.07,1051 12.901,1052 2.698,1053 8.244,1054 9.642,1055 2.686,1056 15.654,1057 8.032,1058 11.762,1059 1,1060 14.727,1061 2.517,1062 9.094,1063 10.65,1064 1.074,1065 17.873,1066 8.874,1067 13.188,1068 1,1069 16.574,1070 2.275,1071 10.37,1072 12.249,1073 3.077,1074 20.429,1075 10.111,1076 3.388,1077 0.618,1078 18.438,1079 2.136,1080 11.402,1081 13.451,1082 1.404,1083 22.808,1084 11.133,1085 2.877,1086 12.381,1087 20.315,1088 1.372,1089 12.61,1090 14.958,1091 3.493,1092 25.323,1093 12.311,1094 2.746,1095 9.511,1096 22.203,1097 4.266,1098 13.729,1099 16.264,1100 1.768,1101 27.774,1102 13.417,1103 2.68,1104 9.058,1105 24.1,1106 3.719,1107 14.919,1108 17.73,1109 3.925,1110 30.282,1111 14.584,1112 2.456,1113 8.735,1114 26.006,1115 3.571,1116 16.081,1117 19.094,1118 2.15,1119 32.766,1120 15.73,1121 2.099,1122 7.539,1123 27.918,1124 3.029,1125 17.272,1126 20.542,1127 4.37,1128 35.274,1129 16.902,1130 2,1131 6.107,1132 29.836,1133 2.958,1134 18.456,1135 21.939,1136 2.538,1137 37.775,1138 18.069,1139 14837,1140 22815,1141 24.967,1142 40.324,1143 56.144,1144 57.616,1145 57.616,1146 55.772,1147 55.796,1148 68.224,1149 8.741,1150 164.512,1151 53.765,1152 5.688,1153 5.895,1154 6.94,1155 5.443,1156 5.388,1157 7.266,1158 2.555,1159 20.381,1160 5.262,1161 15.043,1162 1.517,1163 1.557,1164 1.557,1165 1.507,1166 1.508,1167 1.844,1168 0.236,1169 4.446,1170 1.453,1171 4.053,1172 4.094,1173 4.018,1174 3.92,1175 7.443,1176 3.938,1177 3.921,1178 3.974,1179 3.862,1180 3.782,1181 7.412,1182 3.795,1183 3.805,1184 3.861,1185 3.679,1186 3.696,1187 5.025,1188 3.684,1189 3.705,1190 3.771,1191 3.608,1192 3.51,1193 4.838,1194 3.522,1195 3.583,1196 3.625,1197 3.517,1198 3.405,1199 4.392,1200 3.428,1201 3.283,1202 3.351,1203 3.17,1204 3.068,1205 4.295,1206 3.073,1207 3.184,1208 3.25,1209 3.057,1210 2.941,1211 4.198,1212 2.962,1213 3.111,1214 3.206,1215 2.921,1216 2.937,1217 3.946,1218 2.91,1219 0.127,1220 0.105,1221 0.193,1222 0.118,1223 0.092,1224 4.688,1225 0.115,1226 3.895,1227 0.035,1228 7.138,1229 0.335,1230 4.362,1231 0.089,1232 3.388,1233 4.266,1234 1.277,1235 12.381,1236 3.311,1237 1.936,1238 1.909,1239 2.016,1240 2.091,1241 1.266,1242 2.067,1243 1.865,1244 1.819,1245 1.994,1246 2.039,1247 1.26,1248 2.03,1249 1.659,1250 1.589,1251 1.86,1252 1.872,1253 1.211,1254 1.866,1255 1.577,1256 1.507,1257 1.842,1258 1.751,1259 1.075,1260 1.793,1261 1.562,1262 1.506,1263 1.795,1264 1.734,1265 0.924,1266 1.755,1267 1.506,1268 1.461,1269 1.681,1270 1.71,1271 0.825,1272 1.698,1273 1.254,1274 1.176,1275 1.56,1276 1.5,1277 0.711,1278 1.53,1279 1.153,1280 1.064,1281 1.513,1282 1.376,1283 0.591,1284 1.429,1285 4.317,1287 5.659,1288 2.398,1289 7.206,1290 4.443,1291 8.851,1292 6.293,1293 10.554,1295 3.243,1301 7.832,1303 6.525,1306 0.054,1307 4.023,1312 38.374,1313 96.588,1314 224.363,1315 293.65,1316 319.65,1317 319.65,1318 319.65,1319 62.567,1320 8.299,1321 105.04,1322 105.04,1323 29,1324 12.936,1325 4,1326 3.322,1327 47.929,1328 146,1329 165,1330 0.16,1331 233.226,1332 410.98,1333 560.831,1334 49081,1336 22.949,1337 0.695,1338 0.579,1339 22.949,1340 19.096,1341 16.025,1342 0.433,1343 0.315,1344 11.475,1345 15.368,1346 11.206,1347 9.249,1348 16.025,1349 11.642,1350 14.583,1351 0.275,1352 0.167,1353 14.583,1354 8.864,1355 12.643,1356 0.171,1357 0.091,1358 12.643,1359 6.72,1360 11.348,1361 0.111,1362 0.049,1363 11.348,1364 4.993,1365 8.578,1366 0.066,1367 0.023,1368 8.578,1369 3.009,1370 0.252,1371 100.604,1372 0.2,1373 30.623,1374 0.437,1375 180,1376 498.362,1377 199.027,1378 481.18,1379 667.53,1380 452,1381 217,1382 503.09,1383 236.89,1384 506.021,1385 750.31,1386 478,1387 6.9} {0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,119 42.4,120 1,124 1,125 5,142 9,143 4,144 2,145 2,146 1,151 1,158 1,162 1,172 11,175 6,178 2,180 6,183 11,187 1,188 6,193 5,196 7,199 1,200 9,204 1,205 5,208 5,213 7,218 3,221 8,225 4,228 3,230 3,233 10,238 1,239 3,242 1,244 2,247 11,252 1,253 5,258 3,261 11,266 6,271 2,274 8,278 2730,279 24.549,280 24.549,281 24.549,282 24.549,283 24.549,284 21.675,285 30.255,286 14.579,287 25.183,288 19.776,289 19.776,290 19.776,291 19.776,292 19.776,293 15.497,294 48.345,295 7.021,296 20.793,297 4.505,298 2.417,299 1.296,300 0.803,301 0.599,302 0.599,303 4.323,308 1,309 1323,310 3.317,313 108.605,314 541.861,321 2.722,322 22.582,325 1,326 0.83,327 1,328 0.8,329 0.5,330 1,331 1,332 0.88,333 76,334 600,335 4.332,336 3.573,337 6.199,338 3.932,339 2.973,340 3.988,341 1.058,342 9.294,343 2.887,344 4.249,345 3.081,346 6.114,347 3.861,348 2.885,349 3.88,350 0.916,351 8.965,352 2.802,353 4.164,354 3.044,355 6.032,356 3.785,357 2.797,358 3.759,359 0.8,360 8.625,361 2.757,362 3.818,363 2.885,364 5.588,365 3.604,366 2.657,367 3.253,368 0.4,369 7.698,370 2.52,371 3.73,372 2.687,373 5.31,374 3.337,375 2.386,376 3.117,377 0.172,378 6.852,379 2.266,380 3.544,381 2.445,382 5.205,383 3.227,384 2.311,385 2.782,387 6.481,388 2.111,389 3.434,390 2.334,391 5.127,392 3.08,393 2.123,394 2.55,396 6.247,397 2.002,398 3.128,399 2.269,400 4.806,401 2.861,402 1.928,403 2.366,405 5.438,406 1.785,407 3.033,408 1.869,409 4.376,410 2.667,411 1.719,412 2.052,414 4.299,415 1.624,416 2.831,417 1.795,418 4.126,419 2.377,420 1.414,421 1.965,423 3.631,424 1.352,425 2.744,426 1.509,427 4.045,428 2.282,429 1.265,430 1.75,432 3.363,433 1.276,434 2.527,435 1.146,436 3.485,437 2.01,438 1.058,439 1.54,441 2.587,442 1,443 2.5,444 1.085,445 3.414,446 2,447 1,448 1.5,450 2.275,451 0.999,452 2.5,453 1,454 3.414,455 1.967,456 1,457 1.5,459 2.275,460 0.965,461 2.169,462 1,463 3.265,464 1.954,465 1,466 1.007,468 2.136,469 0.951,470 17.567,471 0.488,472 0.814,473 0.023,474 48.25,475 1.34,476 24.5,477 0.681,478 23.75,479 0.66,480 30.923,481 0.859,482 37.633,483 0.57,484 37.039,485 1.029,486 9.517,487 0.264,488 8.013,489 0.223,490 0.076,492 0.302,497 0.847,498 1.335,499 0.773,500 0.989,501 0.621,502 0.935,503 1.017,504 1.057,505 0.905,506 0.904,507 0.59,508 0.866,509 1.054,510 1.176,511 1.004,512 1.09,513 0.864,514 1.136,515 0.966,516 0.962,517 0.868,518 0.927,519 0.981,520 0.975,521 1.191,522 0.818,523 0.961,524 0.818,525 1.229,526 0.738,527 0.919,528 1.09,529 1.331,530 1.281,531 1.023,532 1.152,533 0.965,534 0.934,535 0.988,536 0.989,537 1.209,538 0.973,539 1.103,540 1.006,541 0.833,542 0.954,543 1.479,544 0.981,545 7.5,546 0.197,547 3.556,548 1.847,549 1.779,550 0.934,551 0.696,552 0.635,553 0.349,554 0.263,555 23949,556 56104,557 2.137,558 45.5,559 3,560 22,561 1,562 2,563 2,568 1.769,569 2.038,570 3.996,571 0.148,578 101.608,579 1.54,580 3.627,581 4.748,582 5.241,583 5.446,584 5.446,585 3.51,586 4.649,587 5.137,588 4.174,589 2629.52,590 9.002,591 45020.9,596 398.93,597 1.256,598 5.118,599 0.188,600 0.006,601 0.065,602 0.035,603 0.038,604 0.019,605 0.015,606 0.015,607 0.009,608 0.007,609 0.396,610 0.17,611 0.75,612 0.442,613 201.777,614 -0.023,615 -0.183,616 0.073,617 -0.017,618 -0.025,619 0.008,620 0.017,621 0.069,622 0.045,623 0.057,624 0.085,625 0.067,626 -0.093,627 -0.138,628 -0.136,629 -0.159,630 0.003,631 -0.182,632 0.029,633 -0.016,634 0.082,635 0.03,636 0.076,637 0.014,638 -0.053,639 0.147,640 0.193,641 0.243,642 0.016,643 0.266,644 0.04,645 -0.031,646 -0.178,647 -0.164,648 -0.035,649 -0.156,650 0.046,651 0.015,652 -0.012,653 0.003,654 -0.014,655 0.026,656 0.039,657 -0.039,658 0.045,659 -0.014,660 -0.003,661 -0.007,662 1.788,663 5.903,664 0.806,665 51.028,666 0.994,667 1.123,668 3.124,669 9.76,670 0.686,671 3.714,672 4.025,673 4.263,674 4.489,675 4.71,676 4.718,677 4.844,678 4.977,679 5.043,680 5.142,681 9.392,682 0.642,683 498.71,684 3.714,685 5.252,686 6.089,687 6.95,688 7.799,689 8.661,690 9.516,691 10.378,692 11.235,693 12.098,694 9.1,697 2,701 1,702 1,704 2,709 12,710 2,713 1,714 8,716 23,723 1,728 1,735 66,737 24,738 2,739 40,741 70,742 28,743 20,744 5,745 7,746 1,748 5,749 5,754 1,762 21,763 7,767 1,772 1,776 1,783 30,784 7,785 2,786 8,787 1,792 6,796 1,797 1,808 1,814 1,815 4,838 2,842 5,844 1,846 2,850 36,856 5,858 2,862 2,866 1,872 1.5,875 1,879 17.667,880 12.383,881 7.833,882 3.857,884 4.188,885 1.501,886 1.011,887 7.711,888 12.546,889 3.98,890 4.551,891 5.082,892 5.617,893 6.097,894 6.281,895 6.643,896 7.001,897 7.329,898 7.661,899 1,900 53,901 13.307,903 5.595,904 7.565,905 25.904,907 21.283,909 2.065,910 74.333,914 329.591,915 196.276,916 75.841,918 25.145,920 31.278,921 164.998,922 354.736,923 75.841,924 17.222,925 28.539,926 92.935,927 86.963,928 63.868,929 11.771,930 325.555,932 329.591,933 240.839,934 25.145,935 31.278,937 329.591,938 25.145,941 82.976,942 124.292,943 33.571,944 31.278,945 329.591,946 100.986,947 196.276,950 329.591,951 68.024,952 134.5,953 36.022,954 58.716,955 329.591,956 100.986,957 196.276,959 0.581,960 0.331,961 0.172,962 0.097,963 26,964 11,965 0.1,966 7,968 1,969 4.888,970 331.774,972 29,973 178.117,975 1,979 24.572,980 11.297,981 6.371,983 100.986,984 23.234,985 8.849,988 1.535,989 7.236,991 36.022,992 626.853,993 52.5,998 12.903,1002 -0.121,1005 65.618,1006 74.102,1007 0.255,1008 0.6,1009 0.786,1010 0.867,1011 0.901,1012 0.901,1013 5.208,1014 1.928,1015 6.057,1016 6.247,1017 4.71,1018 5.239,1019 1.796,1020 6.812,1021 4.62,1022 6.393,1023 1.719,1024 7.58,1025 5.438,1026 4.205,1027 4.89,1028 0.57,1029 7.554,1030 4.092,1031 7.676,1032 1.414,1033 9.195,1034 4.299,1035 6.26,1036 7.355,1037 1.605,1038 10.608,1039 6.097,1040 8.99,1041 1.265,1042 10.863,1043 3.631,1044 6.553,1045 7.817,1046 0.581,1047 12.146,1048 6.372,1049 10.333,1050 1.058,1051 12.565,1052 3.363,1053 8.054,1054 9.736,1055 1.567,1056 14.684,1057 7.834,1058 11.696,1059 1,1060 14.29,1061 2.587,1062 8.721,1063 10.592,1064 0.515,1065 16.567,1066 8.486,1067 13.075,1068 1,1069 16.03,1070 2.275,1071 9.983,1072 12.258,1073 1.582,1074 18.907,1075 9.714,1076 2.973,1077 1,1078 17.783,1079 2.275,1080 10.841,1081 13.328,1082 0.441,1083 20.953,1084 10.556,1085 2.885,1086 9.294,1087 19.546,1088 2.136,1089 11.991,1090 14.86,1091 1.624,1092 23.211,1093 11.676,1094 2.797,1095 8.965,1096 21.316,1097 3.988,1098 12.947,1099 16.052,1100 0.373,1101 25.337,1102 12.614,1103 2.657,1104 8.625,1105 23.091,1106 3.88,1107 14.047,1108 17.51,1109 1.682,1110 27.561,1111 13.686,1112 2.386,1113 7.698,1114 24.873,1115 3.759,1116 15.054,1117 18.772,1118 0.314,1119 29.726,1120 14.672,1121 2.311,1122 6.852,1123 26.658,1124 3.253,1125 16.131,1126 20.189,1127 1.752,1128 31.937,1129 15.723,1130 2.123,1131 6.481,1132 28.447,1133 3.117,1134 17.165,1135 21.494,1136 0.264,1137 34.122,1138 16.734,1139 22116,1140 34149,1141 27.334,1142 45.273,1143 60.044,1144 60.427,1145 60.336,1146 59.378,1147 59.424,1148 77.22,1149 6.694,1150 166.135,1151 56.659,1152 5.332,1153 5.573,1154 6.001,1155 5.046,1156 4.973,1157 6.988,1158 2.117,1159 15.614,1160 4.887,1161 14.416,1162 1.501,1163 1.511,1164 1.508,1165 1.484,1166 1.486,1167 1.93,1168 0.167,1169 4.153,1170 1.416,1171 4.027,1172 4.062,1173 4.233,1174 3.955,1175 7.429,1176 3.943,1177 3.942,1178 3.977,1179 3.933,1180 3.88,1181 4.977,1182 3.865,1183 3.89,1184 3.928,1185 3.835,1186 3.821,1187 4.798,1188 3.816,1189 3.794,1190 3.855,1191 3.742,1192 3.604,1193 4.711,1194 3.614,1195 3.634,1196 3.667,1197 3.683,1198 3.589,1199 4.654,1200 3.535,1201 3.41,1202 3.465,1203 3.336,1204 3.213,1205 4.378,1206 3.233,1207 3.241,1208 3.334,1209 3.081,1210 3.036,1211 4.033,1212 3.029,1213 3.111,1214 3.206,1215 2.911,1216 2.941,1217 3.913,1218 2.91,1219 0.108,1220 0.089,1221 0.155,1222 0.098,1223 0.074,1224 4.332,1225 0.1,1226 3.573,1227 0.026,1228 6.199,1229 0.232,1230 3.932,1231 0.072,1232 2.973,1233 3.988,1234 1.058,1235 9.294,1236 2.887,1237 1.953,1238 1.927,1239 2.065,1240 2.068,1241 1.323,1242 2.07,1243 1.903,1244 1.874,1245 2.02,1246 2.021,1247 1.16,1248 2.023,1249 1.847,1250 1.814,1251 1.951,1252 1.963,1253 1.125,1254 1.962,1255 1.752,1256 1.681,1257 1.947,1258 1.937,1259 0.997,1260 1.947,1261 1.352,1262 1.319,1263 1.591,1264 1.595,1265 0.825,1266 1.589,1267 1.3,1268 1.283,1269 1.547,1270 1.491,1271 0.735,1272 1.504,1273 1.254,1274 1.198,1275 1.513,1276 1.466,1277 0.619,1278 1.461,1279 1.22,1280 1.134,1281 1.398,1282 1.376,1283 0.559,1284 1.429,1285 4.394,1287 5.707,1288 2.398,1289 7.201,1290 4.595,1291 8.771,1292 6.581,1293 10.379,1295 4.194,1301 5.273,1303 6.421,1307 4.81,1312 42.352,1313 101.608,1314 239.381,1315 313.381,1316 345.91,1317 359.42,1318 359.42,1319 53.723,1320 8.358,1321 73.39,1322 101.63,1323 29,1324 12.647,1325 4.644,1326 3.755,1327 54.839,1328 202,1329 216,1330 0.127,1331 263.153,1332 449.18,1333 633.854,1334 63861,1336 24.907,1337 0.692,1338 0.594,1339 25.261,1340 21.386,1341 17.53,1342 0.438,1343 0.324,1344 12.011,1345 16.537,1346 11.568,1347 9.629,1348 17.984,1349 12.961,1350 15.845,1351 0.288,1352 0.182,1353 16.422,1354 10.023,1355 13.209,1356 0.189,1357 0.102,1358 13.848,1359 7.174,1360 10.592,1361 0.12,1362 0.056,1363 11.326,1364 4.889,1365 8.735,1366 0.079,1367 0.032,1368 9.366,1369 3.524,1370 0.209,1371 113.333,1372 0.191,1373 33.937,1374 0.326,1375 190,1376 491.842,1377 227.044,1378 508.434,1379 702.74,1380 478,1381 220,1382 505.346,1383 253.356,1384 534.756,1385 775.35,1386 500,1387 5} {0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,119 43.3,124 2,125 5,142 13,143 3,144 2,152 1,153 1,157 1,158 1,172 13,174 1,175 6,179 1,180 4,183 14,187 3,188 7,193 3,196 12,200 5,203 2,205 5,208 10,212 1,213 7,218 6,221 17,224 2,225 3,230 8,233 20,238 1,239 2,244 6,247 19,252 1,253 5,261 12,266 7,269 2,274 3,278 2470,279 24.499,280 24.499,281 24.499,282 24.499,283 24.499,284 21.627,285 26.138,286 14.482,287 24.952,288 19.744,289 19.744,290 19.744,291 19.744,292 19.744,293 15.418,294 36.272,295 6.91,296 20.467,297 4.598,298 2.6,299 1.72,300 0.972,301 0.709,302 0.709,303 4.321,308 1,309 1121,310 3.937,313 90.437,314 513.421,317 169.554,321 2.179,322 27.518,325 1,326 0.83,327 1,328 0.8,329 0.5,330 1,331 1,332 0.88,333 76.5,334 509,335 4.707,336 3.757,337 6.985,338 4.271,339 3.294,340 4.626,341 1.989,342 11.89,343 3.219,344 4.238,345 3.412,346 6.342,347 3.919,348 2.962,349 3.835,350 0.835,351 9.444,352 2.832,353 4.139,354 2.936,355 6.132,356 3.722,357 2.746,358 3.642,359 0.8,360 8.965,361 2.683,362 3.821,363 2.898,364 5.49,365 3.546,366 2.61,367 3.167,368 0.6,369 7.348,370 2.458,371 3.605,372 2.71,373 5.401,374 3.371,375 2.4,376 3.006,377 0.543,378 6.867,379 2.306,380 3.553,381 2.444,382 5.322,383 3.11,384 2.14,385 2.712,387 6.439,388 2.079,389 3.347,390 2.365,391 5.01,392 3.045,393 2.109,394 2.537,396 5.9,397 1.977,398 3.205,399 2.27,400 4.795,401 2.777,402 1.822,403 2.432,405 5.119,406 1.724,407 3.016,408 1.915,409 4.77,410 2.698,411 1.732,412 2.213,414 4.998,415 1.659,416 2.96,417 1.566,418 4.279,419 2.5,420 1.51,421 1.984,423 3.765,424 1.492,425 2.83,426 1.396,427 3.612,428 2.339,429 1.354,430 1.982,432 2.934,433 1.329,434 2.564,435 1.327,436 3.548,437 2.019,438 1.04,439 1.524,441 2.583,442 1.015,443 2.5,444 1.146,445 3.526,446 2,447 1,448 1.5,450 2.275,451 1,452 2.5,453 1.117,454 3.414,455 2,456 1,457 1.5,459 2.275,460 1,461 2.064,462 1,463 3.414,464 1.967,465 1,466 1,468 2.136,469 0.965,470 17.167,471 0.477,472 0.853,473 0.024,474 48.25,475 1.34,476 24.5,477 0.681,478 23.75,479 0.66,480 30.662,481 0.852,482 38.033,483 0.568,484 40.849,485 1.135,486 9.805,487 0.272,488 7.686,489 0.213,490 0.097,492 0.332,497 0.878,498 1.391,499 0.825,500 1.08,501 0.734,502 0.966,503 0.94,504 1.047,505 0.906,506 0.863,507 0.574,508 0.858,509 1.059,510 1.034,511 1.051,512 1.027,513 0.964,514 1.03,515 0.91,516 1.088,517 0.935,518 1.062,519 0.993,520 1.013,521 1.435,522 0.779,523 0.875,524 0.728,525 1.506,526 0.729,527 1.401,528 1.029,529 1.141,530 1.047,531 1.583,532 1.068,533 0.829,534 1.04,535 1.031,536 1.092,537 0.783,538 1.09,539 0.866,540 0.931,541 1.045,542 1.013,543 0.914,544 1.048,545 6.5,546 0.231,547 4,548 2.729,549 2.178,550 1.427,551 0.791,552 0.415,553 0.41,554 0.335,555 20863,556 47913,557 2.12,558 46.3,560 29,563 2,568 1.774,569 2,570 3.681,571 0.121,578 98.357,579 1.468,580 3.466,581 4.346,582 5.094,583 5.357,584 5.357,585 3.155,586 4.649,587 5.14,588 3.925,589 2473.04,590 9.034,591 39940,596 406.428,597 1.352,598 5.109,599 0.162,600 0.007,601 0.071,602 0.047,603 0.04,604 0.024,605 0.013,606 0.008,607 0.011,608 0.01,609 0.394,610 0.33,611 0.75,612 0.496,613 197.391,614 -0.04,615 -0.214,616 0.056,617 -0.047,618 -0.066,619 0.003,620 0.009,621 0.109,622 0.035,623 0.104,624 0.043,625 0.082,626 -0.033,627 0.041,628 -0.092,629 -0.046,630 -0.017,631 -0.07,632 0.058,633 -0.104,634 0.044,635 -0.069,636 0.063,637 -0.024,638 -0.106,639 0.207,640 0.151,641 0.232,642 -0.03,643 0.229,644 -0.143,645 0.014,646 -0.174,647 -0.045,648 -0.145,649 -0.105,650 -0.012,651 -0.063,652 -0.073,653 -0.079,654 0.012,655 -0.083,656 -0.053,657 0.006,658 -0.062,659 -0.016,660 -0.096,661 -0.038,662 1.593,663 5.87,664 0.75,665 40.701,666 0.995,667 1.124,668 2.914,669 8.489,670 0.669,671 3.714,672 4.043,673 4.331,674 4.605,675 4.852,676 4.89,677 5.043,678 5.17,679 5.236,680 5.303,681 8.169,682 0.633,683 481.65,684 3.714,685 5.263,686 6.12,687 7.002,688 7.879,689 8.768,690 9.653,691 10.546,692 11.437,693 12.333,694 7.5,697 2,701 1,702 1,703 1,708 2,709 13,711 1,714 5,716 22,719 1,732 1,735 67,737 24,738 3,739 40,741 71,742 29,743 20,744 5,745 13,746 1,748 5,749 6,762 22,763 7,767 2,772 1,775 1,776 2,783 31,784 6,785 2,786 7,792 5,796 0.8,797 2,810 1,814 1,815 4,818 1,829 1,838 2,842 4,846 2,850 36,855 1,856 5,862 3,872 3,874 1,875 1,879 18,880 12.5,881 7.861,882 3.921,884 3.698,885 1.46,886 0.995,887 7.19,888 11.742,889 3.989,890 4.588,891 5.194,892 5.81,893 6.368,894 6.687,895 7.187,896 7.655,897 7.991,898 8.398,899 1,900 58,901 13.343,903 5.685,904 7.639,905 25.778,907 21.313,909 2.139,910 77,914 341.362,915 174.576,916 42.944,918 67.828,921 174.576,922 409.19,923 42.944,924 16.793,925 13.653,926 123.191,927 75.29,928 54.277,929 2.144,930 341.362,932 341.362,933 217.52,934 67.828,937 341.362,938 67.828,941 53.473,942 164.047,945 341.362,946 110.772,947 174.576,950 341.362,951 34.592,952 149.357,953 16.786,954 84.614,955 341.362,956 110.772,957 174.576,959 0.582,960 0.343,961 0.187,962 0.107,963 27,964 12,965 0.085,966 6,967 1,968 1.074,969 4.645,970 350.416,971 0.074,972 27,973 174.117,979 24.262,980 10.668,981 5.39,982 1.757,983 93.987,984 25.284,986 3.059,989 3.22,991 59.469,992 626.71,993 53,998 12.87,1001 4.949,1002 0.752,1005 66.65,1006 75.308,1007 0.242,1008 0.571,1009 0.716,1010 0.84,1011 0.883,1012 0.883,1013 5.228,1014 1.822,1015 6.103,1016 5.9,1017 4.727,1018 5.276,1019 2.386,1020 6.919,1021 4.658,1022 6.43,1023 1.732,1024 7.663,1025 5.119,1026 4.29,1027 5.017,1028 1.803,1029 7.832,1030 4.167,1031 7.733,1032 1.51,1033 9.326,1034 4.998,1035 6.323,1036 7.469,1037 3.144,1038 10.965,1039 6.185,1040 9.072,1041 1.354,1042 11.051,1043 3.765,1044 6.723,1045 8.087,1046 3.237,1047 12.764,1048 6.54,1049 10.447,1050 1.04,1051 12.817,1052 2.934,1053 8.215,1054 9.999,1055 4.307,1056 15.426,1057 8.017,1058 11.848,1059 1,1060 14.613,1061 2.583,1062 9.009,1063 11.061,1064 4.691,1065 17.605,1066 8.776,1067 13.271,1068 1,1069 16.432,1070 2.275,1071 10.286,1072 12.742,1073 5.594,1074 20.119,1075 10.036,1076 3.294,1077 1,1078 18.269,1079 2.275,1080 11.273,1081 14.035,1082 6.118,1083 22.463,1084 10.995,1085 2.962,1086 11.89,1087 20.121,1088 2.136,1089 12.467,1090 15.615,1091 6.925,1092 24.935,1093 12.171,1094 2.746,1095 9.444,1096 21.985,1097 4.626,1098 13.547,1099 17.026,1100 7.524,1101 27.349,1102 13.226,1103 2.61,1104 8.965,1105 23.86,1106 3.835,1107 14.714,1108 18.566,1109 8.277,1110 29.812,1111 14.374,1112 2.4,1113 7.348,1114 25.744,1115 3.642,1116 15.838,1117 20.036,1118 8.915,1119 32.257,1120 15.477,1121 2.14,1122 6.867,1123 27.635,1124 3.167,1125 17.001,1126 21.562,1127 9.639,1128 34.721,1129 16.619,1130 2.109,1131 6.439,1132 29.533,1133 3.006,1134 18.149,1135 23.06,1136 10.3,1137 37.181,1138 17.747,1139 19451,1140 29678,1141 27.046,1142 44.836,1143 60.927,1144 61.273,1145 61.936,1146 60.111,1147 59.98,1148 78.56,1149 9.532,1150 172.334,1151 57.922,1152 5.707,1153 5.757,1154 6.787,1155 5.338,1156 5.294,1157 7.626,1158 3.465,1159 19.314,1160 5.219,1161 16.344,1162 1.523,1163 1.532,1164 1.548,1165 1.503,1166 1.5,1167 1.964,1168 0.238,1169 4.308,1170 1.448,1171 4.148,1172 4.176,1173 4.116,1174 4.064,1175 7.427,1176 4.073,1177 3.951,1178 3.992,1179 3.895,1180 3.862,1181 6.473,1182 3.864,1183 3.866,1184 3.916,1185 3.795,1186 3.796,1187 4.953,1188 3.791,1189 3.83,1190 3.881,1191 3.724,1192 3.639,1193 4.806,1194 3.651,1195 3.545,1196 3.6,1197 3.462,1198 3.347,1199 4.708,1200 3.363,1201 3.434,1202 3.477,1203 3.352,1204 3.286,1205 4.398,1206 3.3,1207 3.248,1208 3.348,1209 3.122,1210 3.014,1211 4.323,1212 3.029,1213 3.128,1214 3.206,1215 2.998,1216 2.941,1217 4.131,1218 2.934,1219 0.118,1220 0.094,1221 0.175,1222 0.107,1223 0.082,1224 4.707,1225 0.116,1226 3.757,1227 0.05,1228 6.985,1229 0.297,1230 4.271,1231 0.08,1232 3.294,1233 4.626,1234 1.989,1235 11.89,1236 3.219,1237 1.975,1238 1.953,1239 2.062,1240 2.061,1241 1.307,1242 2.061,1243 1.901,1244 1.872,1245 2.011,1246 2.028,1247 1.181,1248 2.029,1249 1.864,1250 1.835,1251 1.997,1252 1.991,1253 1.097,1254 1.995,1255 1.783,1256 1.71,1257 1.973,1258 1.949,1259 1.06,1260 1.96,1261 1.515,1262 1.478,1263 1.689,1264 1.733,1265 0.831,1266 1.716,1267 1.444,1268 1.39,1269 1.584,1270 1.679,1271 0.825,1272 1.657,1273 1.214,1274 1.115,1275 1.561,1276 1.502,1277 0.678,1278 1.527,1279 1.153,1280 1.064,1281 1.513,1282 1.376,1283 0.643,1284 1.429,1285 4.394,1287 5.72,1288 2.398,1289 7.241,1290 4.844,1291 8.845,1292 7.034,1293 10.493,1295 3.925,1300 10.784,1301 4.209,1307 6.191,1312 42.385,1313 98.357,1314 232.217,1315 291.203,1316 341.309,1317 358.918,1318 358.918,1319 61.566,1320 8.044,1321 75.17,1322 75.17,1323 29,1324 12.859,1325 4.644,1326 3.807,1327 54.555,1328 177,1329 206,1330 0.148,1331 258.817,1332 445.76,1333 623.272,1334 36506,1336 25.07,1337 0.696,1338 0.575,1339 25.07,1340 20.685,1341 17.491,1342 0.437,1343 0.305,1344 12.052,1345 16.916,1346 11.711,1347 9.728,1348 17.491,1349 12.211,1350 15.775,1351 0.282,1352 0.166,1353 15.775,1354 9.269,1355 13.522,1356 0.18,1357 0.09,1358 13.522,1359 6.777,1360 11.163,1361 0.113,1362 0.046,1363 11.163,1364 4.555,1365 9.392,1366 0.074,1367 0.026,1368 9.392,1369 3.272,1370 0.236,1371 108.85,1372 0.192,1373 33.139,1374 0.396,1375 192,1376 496.799,1377 206.781,1378 490.006,1379 679.96,1380 460,1381 227,1382 507.779,1383 243.115,1384 520.327,1385 761.28,1386 489,1387 5.678} {0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,119 41.5,121 4,123 1,124 1,125 6,127 1,135 3,138 1,142 6,143 1,144 6,145 1,146 1,158 2,172 7,175 12,178 2,180 6,183 5,187 2,188 11,193 7,196 5,199 4,200 6,203 2,204 1,208 8,212 2,213 6,216 1,221 17,224 1,225 8,230 4,233 10,238 3,239 8,244 5,247 2,252 1,253 7,258 1,261 5,265 1,266 5,269 2,271 1,274 8,278 5294,279 31.349,280 31.349,281 31.349,282 31.349,283 31.349,284 28.666,285 42.521,286 18.361,287 32.28,288 25.074,289 25.074,290 25.074,291 25.074,292 25.074,293 20.775,294 55.757,295 8.624,296 26.493,297 4.69,298 2.354,299 1.034,300 0.546,301 0.521,302 0.521,303 4.557,308 1,309 2039,310 4.743,311 97.418,314 820.877,318 247.167,321 3.28,322 71.18,325 0.75,326 0.33,327 0.67,328 0.9,329 1,330 0.67,331 0.5,332 0.69,333 103,334 930,335 4.765,336 4.332,337 7.978,338 4.682,339 3.677,340 4.513,341 2.166,342 15.051,343 3.692,344 4.577,345 3.406,346 6.59,347 4.103,348 3.14,349 3.952,350 1.722,351 10.546,352 3.025,353 4.245,354 3.365,355 6.116,356 3.817,357 2.874,358 3.864,359 1.013,360 8.963,361 2.705,362 3.982,363 3.227,364 6.003,365 3.591,366 2.634,367 3.488,368 0.86,369 8.521,370 2.529,371 3.963,372 3.11,373 5.567,374 3.565,375 2.618,376 3.267,377 0.86,378 7.375,379 2.452,380 3.605,381 2.927,382 5.387,383 3.435,384 2.519,385 2.926,386 0.86,387 6.965,388 2.305,389 3.521,390 2.883,391 5.34,392 3.248,393 2.299,394 2.757,395 0.86,396 6.956,397 2.17,398 3.409,399 2.606,400 5.181,401 3.073,402 2.134,403 2.522,404 0.8,405 6.095,406 1.989,407 3.3,408 2.406,409 5.063,410 2.932,411 1.989,412 2.393,413 0.215,414 5.845,415 1.867,416 3.101,417 2.35,418 4.848,419 2.685,420 1.751,421 2.241,422 0.109,423 4.758,424 1.664,425 3.025,426 2.313,427 4.569,428 2.645,429 1.642,430 2.144,432 4.565,433 1.587,434 2.834,435 2.232,436 4.535,437 2.48,438 1.553,439 1.966,441 3.9,442 1.453,443 2.786,444 2.156,445 4.146,446 2.451,447 1.431,448 1.805,450 3.633,451 1.435,452 2.746,453 1.808,454 3.928,455 2.366,456 1.417,457 1.734,459 3.371,460 1.33,461 2.581,462 1.501,463 3.7,464 2.285,465 1.386,466 1.587,468 3.127,469 1.232,470 21.171,471 0.46,472 1.089,473 0.024,474 54.75,475 1.19,476 24,477 0.522,478 30.75,479 0.668,480 46.072,481 1.002,482 51.429,483 0.627,484 51.461,485 1.119,486 10.944,487 0.238,488 11.396,489 0.248,490 0.082,491 0.024,492 0.302,493 1,495 1,497 0.714,498 1.192,499 0.719,500 1.181,501 0.549,502 0.995,503 0.996,504 1.092,505 0.902,506 1.042,507 0.696,508 0.963,509 1.116,510 1.072,511 0.971,512 1,513 1.01,514 0.948,515 1.028,516 0.842,517 1.059,518 0.958,519 1.04,520 1.004,521 0.853,522 0.804,523 0.834,524 0.894,525 0.885,526 0.874,527 0.983,528 1.11,529 0.982,530 1.127,531 0.916,532 1.077,533 1.027,534 1.04,535 1.021,536 0.983,537 0.994,538 0.998,539 0.994,540 1.073,541 0.953,542 1.007,543 1.061,544 0.97,545 10,546 0.396,547 5,548 3.201,549 2.874,550 1.626,551 1.044,552 0.959,553 0.6,554 0.345,555 46200,556 129162,557 2.112,558 43.9,559 4,560 25,562 1,563 2,565 2,566 2,568 1.829,569 1.993,570 4.232,571 0.127,578 136.718,579 1.667,580 4.003,581 5.323,582 5.812,583 5.836,584 5.836,585 3.754,586 4.942,587 5.488,588 4.441,589 4596.73,590 9.714,591 94747.1,596 521.319,597 1.434,598 5.459,599 0.196,600 0.007,601 0.072,602 0.043,603 0.044,604 0.024,605 0.015,606 0.015,607 0.01,608 0.006,609 0.432,610 0.33,611 0.5,612 0.588,613 277.171,614 -0.044,615 -0.128,616 0.054,617 -0.078,618 -0.027,619 -0.001,620 -0.088,621 -0.08,622 -0.007,623 -0.023,624 -0.006,625 0.001,626 -0.057,627 -0.054,628 -0.001,629 -0.021,630 -0.033,631 0.005,632 -0.019,633 0.095,634 -0.083,635 0.01,636 0.009,637 -0.042,638 0.027,639 0.071,640 0.13,641 0.115,642 -0.009,643 0.142,644 -0.024,645 -0.144,646 -0.035,647 -0.104,648 0.03,649 -0.082,650 0.01,651 -0.055,652 -0.022,653 -0.012,654 0.029,655 -0.026,656 0.037,657 0.001,658 0.052,659 -0.023,660 0.03,661 0.013,662 2.507,663 7.243,664 0.674,665 81.323,666 1.017,667 1.134,668 1.816,669 3.297,670 0.653,671 3.951,672 4.29,673 4.554,674 4.771,675 4.984,676 5.05,677 5.159,678 5.318,679 5.451,680 5.472,681 11.185,682 0.635,683 634.74,684 3.951,685 5.509,686 6.372,687 7.256,688 8.137,689 9.029,690 9.92,691 10.817,692 11.714,693 12.617,694 4.9,697 1,701 2,704 1,708 2,709 7,710 1,714 6,716 17,733 3,734 1,735 82,737 21,738 2,739 51,741 87,742 34,743 15,744 7,745 5,746 4,748 6,749 7,755 1,756 1,757 4,760 5,762 21,763 13,765 1,767 4,772 2,774 3,776 3,781 2,783 36,784 12,785 2,786 12,792 4,796 0.833,797 6,808 1,812 1,815 5,819 1,828 2,833 4,838 1,841 1,842 5,846 1,848 2,850 46,856 10,858 2,859 4,861 1,862 1,863 1,871 2,872 7.3,875 2,876 1,877 3,879 23.083,880 14.852,881 10.111,882 4.986,884 3.889,885 1.434,886 0.978,887 10.07,888 12.846,889 4.167,890 4.727,891 5.264,892 5.791,893 6.328,894 6.629,895 7.005,896 7.429,897 7.833,898 8.028,899 0.929,900 75,901 17.28,903 7.691,904 7.933,905 32.375,907 27.057,909 2.433,910 111.917,914 400.217,915 187.363,916 55.931,918 94.289,919 29.92,921 187.363,922 494.507,923 85.852,924 10.883,925 68.433,926 85.286,927 102.012,928 82.74,929 29.92,930 388.446,932 400.217,933 243.294,934 124.21,937 383.053,938 130.374,939 11,941 82.749,942 112.574,943 47.971,945 430.138,946 150.221,947 187.363,950 402.397,951 79.967,952 108.341,953 36.022,954 140.995,955 400.217,956 180.141,957 187.363,959 0.583,960 0.341,961 0.178,962 0.094,963 34,964 15,965 0.138,966 12,967 1,968 1.065,969 5.607,970 473.184,971 0.065,972 31,973 245.329,979 32.235,980 14.37,981 7.822,982 1.186,983 180.141,984 10.76,985 4.438,989 0.821,991 36.022,992 767.721,993 63.5,998 25.921,1000 4.417,1002 -0.552,1005 83.418,1006 92.987,1007 0.262,1008 0.63,1009 0.837,1010 0.914,1011 0.918,1012 0.918,1013 5.435,1014 2.134,1015 6.372,1016 6.956,1017 4.977,1018 5.416,1019 3.133,1020 7.223,1021 4.881,1022 6.64,1023 1.989,1024 7.964,1025 6.095,1026 4.691,1027 5.301,1028 2.221,1029 8.48,1030 4.586,1031 7.965,1032 1.751,1033 9.674,1034 5.845,1035 6.655,1036 7.585,1037 3.91,1038 11.566,1039 6.505,1040 9.326,1041 1.642,1042 11.464,1043 4.758,1044 7.223,1045 8.289,1046 3.846,1047 13.783,1048 7.094,1049 10.725,1050 1.553,1051 13.313,1052 4.565,1053 8.695,1054 10.089,1055 5.098,1056 16.534,1057 8.54,1058 12.15,1059 1.431,1060 15.208,1061 3.9,1062 9.656,1063 11.176,1064 5.417,1065 19.092,1066 9.534,1067 13.597,1068 1.417,1069 17.141,1070 3.633,1071 10.965,1072 12.784,1073 6.463,1074 21.793,1075 10.84,1076 3.677,1077 1.386,1078 19.104,1079 3.371,1080 12.105,1081 14.063,1082 6.969,1083 24.456,1084 12.008,1085 3.14,1086 15.051,1087 21.091,1088 3.127,1089 13.373,1090 15.591,1091 7.905,1092 27.156,1093 13.286,1094 2.874,1095 10.546,1096 23.098,1097 4.513,1098 14.591,1099 16.967,1100 8.515,1101 29.85,1102 14.527,1103 2.634,1104 8.963,1105 25.12,1106 3.952,1107 15.857,1108 18.463,1109 9.386,1110 32.555,1111 15.807,1112 2.618,1113 8.521,1114 27.154,1115 3.864,1116 17.112,1117 19.892,1118 10.059,1119 35.26,1120 17.08,1121 2.519,1122 7.375,1123 29.197,1124 3.488,1125 18.385,1126 21.378,1127 10.891,1128 37.968,1129 18.367,1130 2.299,1131 6.965,1132 31.248,1133 3.267,1134 19.659,1135 22.835,1136 11.602,1137 40.677,1138 19.655,1139 42766,1140 71800,1141 34.383,1142 53.569,1143 76.341,1144 79.08,1145 78.836,1146 75.474,1147 75.53,1148 93.03,1149 18.932,1150 220.144,1151 71.614,1152 5.765,1153 6.332,1154 7.78,1155 5.786,1156 5.677,1157 7.513,1158 3.858,1159 22.84,1160 5.692,1161 21.761,1162 1.497,1163 1.551,1164 1.546,1165 1.48,1166 1.481,1167 1.824,1168 0.371,1169 4.317,1170 1.404,1171 4.096,1172 4.115,1173 4.064,1174 4.003,1175 8.201,1176 4.015,1177 4.005,1178 4.033,1179 3.951,1180 3.895,1181 8.191,1182 3.903,1183 3.882,1184 3.913,1185 3.835,1186 3.789,1187 7.443,1188 3.794,1189 3.836,1190 3.882,1191 3.758,1192 3.744,1193 7.413,1194 3.741,1195 3.818,1196 3.868,1197 3.696,1198 3.61,1199 5.071,1200 3.621,1201 3.572,1202 3.609,1203 3.487,1204 3.392,1205 4.773,1206 3.408,1207 3.444,1208 3.489,1209 3.3,1210 3.278,1211 4.662,1212 3.273,1213 3.246,1214 3.3,1215 3.193,1216 2.971,1217 4.624,1218 3.009,1219 0.093,1220 0.085,1221 0.156,1222 0.092,1223 0.072,1224 4.765,1225 0.088,1226 4.332,1227 0.042,1228 7.978,1229 0.295,1230 4.682,1231 0.072,1232 3.677,1233 4.513,1234 2.166,1235 15.051,1236 3.692,1237 2.021,1238 2.007,1239 2.076,1240 2.124,1241 1.292,1242 2.109,1243 1.868,1244 1.844,1245 1.998,1246 2,1247 1.207,1248 1.997,1249 1.852,1250 1.817,1251 1.976,1252 1.992,1253 1.203,1254 1.991,1255 1.755,1256 1.692,1257 1.946,1258 1.973,1259 1.07,1260 1.966,1261 1.524,1262 1.49,1263 1.779,1264 1.749,1265 1.047,1266 1.756,1267 1.492,1268 1.469,1269 1.621,1270 1.702,1271 0.836,1272 1.664,1273 1.41,1274 1.368,1275 1.577,1276 1.622,1277 0.825,1278 1.619,1279 1.158,1280 1.087,1281 1.513,1282 1.432,1283 0.825,1284 1.448,1285 4.635,1286 1.946,1287 5.969,1288 3.932,1289 7.506,1290 5.938,1291 9.137,1292 7.917,1293 10.818,1295 1.547,1297 28.582,1301 6.493,1303 5.345,1304 22.96,1306 -1.089,1307 2.344,1308 -1.257,1312 52.097,1313 136.718,1314 328.286,1315 436.525,1316 476.564,1317 478.564,1318 478.564,1319 123.444,1320 8.957,1321 111.25,1322 111.25,1323 33,1324 13.139,1325 4.459,1326 3.755,1327 71.162,1328 309,1329 328,1330 0.109,1331 310.972,1332 567.1,1333 750.532,1334 132058,1335 2.4,1336 32.097,1337 0.698,1338 0.555,1339 30.357,1340 25.522,1341 22.341,1342 0.438,1343 0.301,1344 15.063,1345 21.133,1346 14.836,1347 12.11,1348 21.536,1349 15.369,1350 20.088,1351 0.279,1352 0.16,1353 18.936,1354 11.493,1355 17.005,1356 0.181,1357 0.086,1358 16.135,1359 8.051,1360 13.747,1361 0.117,1362 0.045,1363 13.212,1364 5.31,1365 10.793,1366 0.074,1367 0.024,1368 10.293,1369 3.49,1370 0.179,1371 142.653,1372 0.171,1373 41.253,1374 0.279,1375 246,1376 886.591,1377 279.508,1378 775.37,1379 1032.91,1380 728,1381 292,1382 729.6,1383 326.08,1384 717.558,1385 1060.64,1386 676,1387 5.509} {0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,119 40.9,120 1,124 1,125 5,127 1,132 1,142 8,143 3,144 1,146 1,152 2,153 1,158 1,160 1,163 1,164 1,165 1,172 9,174 1,175 8,177 1,178 1,183 10,187 1,188 10,193 1,196 6,198 1,199 2,200 8,202 1,203 1,205 1,208 6,210 1,212 2,213 2,215 1,216 1,221 9,224 2,225 7,230 2,233 6,235 2,238 1,239 10,241 1,242 1,244 3,247 3,249 3,252 1,253 9,258 4,261 3,263 4,265 2,266 5,271 2,274 6,276 2,278 2898,279 25.004,280 25.004,281 25.004,282 25.004,283 25.004,284 22.511,285 33.041,286 14.351,287 25.903,288 20.743,289 20.743,290 20.743,291 20.743,292 20.743,293 16.823,294 41.717,295 6.836,296 22.329,297 4.263,298 2.175,299 1.228,300 0.834,301 0.61,302 0.58,303 4.366,308 1,309 1148,310 4.416,313 194.633,314 371.666,317 164.75,321 2.316,322 56.813,325 0.75,326 0.83,327 0.83,328 0.7,329 0.5,330 0.83,331 1,332 0.78,333 85,334 532,335 4.641,336 4.473,337 7.279,338 4.289,339 3.398,340 4.57,341 3.825,342 12.394,343 3.083,344 4.564,345 3.584,346 6.752,347 4.148,348 3.222,349 4.074,350 1.151,351 11.077,352 3.001,353 4.366,354 3.267,355 6.444,356 3.923,357 2.981,358 4.014,359 0.98,360 9.953,361 2.789,362 3.838,363 3.225,364 6.05,365 3.607,366 2.677,367 3.216,368 0.916,369 8.522,370 2.496,371 3.782,372 3.022,373 5.72,374 3.539,375 2.63,376 2.938,377 0.8,378 7.828,379 2.321,380 3.633,381 2.775,382 5.539,383 3.337,384 2.388,385 2.921,386 0.172,387 7.312,388 2.254,389 3.462,390 2.627,391 5.128,392 3.146,393 2.198,394 2.547,396 6.312,397 2.077,398 3.294,399 2.37,400 4.984,401 2.9,402 1.96,403 2.495,405 5.529,406 1.819,407 3.084,408 2.151,409 4.799,410 2.821,411 1.894,412 2.288,414 5.413,415 1.746,416 3.007,417 1.983,418 4.636,419 2.657,420 1.68,421 2.051,423 4.546,424 1.63,425 2.875,426 1.499,427 4.485,428 2.366,429 1.424,430 2.006,432 4.055,433 1.331,434 2.607,435 1.349,436 3.975,437 2.134,438 1.18,439 1.65,441 3.021,442 1.106,443 2.583,444 1.314,445 3.794,446 2.061,447 1.131,448 1.617,450 2.833,451 1.043,452 2.384,453 1.146,454 3.585,455 1.967,456 1,457 1.313,459 2.461,460 0.965,461 2.256,462 1.109,463 3.529,464 1.941,465 0.985,466 1.128,468 2.275,469 0.933,470 17.857,471 0.47,472 1.248,473 0.033,474 45.5,475 1.197,476 20,477 0.526,478 25.5,479 0.671,480 38.98,481 1.026,482 42.143,483 0.639,484 41.255,485 1.086,486 9.07,487 0.239,488 9.027,489 0.238,490 0.145,491 0.028,492 0.347,494 3,497 0.645,498 1.117,499 0.69,500 1.031,501 0.599,502 0.946,503 0.627,504 0.744,505 0.742,506 0.8,507 0.348,508 0.791,509 0.77,510 0.936,511 0.928,512 1.116,513 0.563,514 1.062,515 0.724,516 1.043,517 0.924,518 1.13,519 0.677,520 1.052,521 0.993,522 0.888,523 0.968,524 0.85,525 0.963,526 0.877,527 1.134,528 0.996,529 1.215,530 1.072,531 1.136,532 1.034,533 0.789,534 0.914,535 1.018,536 1.049,537 0.751,538 0.934,539 1.024,540 1.203,541 1.046,542 1.221,543 1.051,544 1.067,545 9.5,546 0.344,547 4.889,548 3.326,549 2.541,550 1.379,551 1.061,552 0.966,553 0.688,554 0.423,555 22818,556 68915,557 2.059,558 42.4,560 22,562 1,563 2,565 3,568 1.789,569 1.892,570 3.737,571 0.201,578 117.578,579 1.781,580 3.87,581 4.817,582 5.211,583 5.434,584 5.465,585 3.249,586 4.86,587 5.218,588 3.944,589 2772.43,590 9.202,591 45852.4,596 398.93,597 1.636,598 5.156,599 0.226,600 0.008,601 0.079,602 0.054,603 0.041,604 0.023,605 0.019,606 0.016,607 0.012,608 0.009,609 0.487,610 0.17,611 0.75,612 0.811,613 210.842,614 -0.048,615 -0.132,616 0.053,617 -0.025,618 -0.086,619 0.006,620 0.257,621 0.285,622 0.153,623 0.179,624 0.405,625 0.141,626 -0.05,627 -0.086,628 0.001,629 -0.093,630 0.006,631 -0.074,632 0.067,633 -0.15,634 0.072,635 -0.091,636 0.054,637 -0.023,638 0.062,639 0.101,640 0.062,641 0.152,642 0.009,643 0.119,644 -0.147,645 0.034,646 -0.139,647 0.008,648 -0.137,649 -0.038,650 -0.043,651 -0.083,652 0.029,653 -0.008,654 0.005,655 0.055,656 -0.082,657 -0.212,658 0.026,659 -0.173,660 -0.084,661 -0.104,662 5.78,663 5.548,664 0.684,665 45.186,666 1.019,667 1.14,668 3.366,669 11.329,670 0.671,671 3.761,672 4.143,673 4.407,674 4.7,675 4.92,676 5.017,677 5.198,678 5.38,679 5.529,680 5.642,681 8.21,682 0.647,683 543.67,684 3.761,685 5.342,686 6.205,687 7.111,688 7.993,689 8.9,690 9.792,691 10.7,692 11.597,693 12.506,694 7.6,697 2,701 1,702 1,704 1,708 2,709 9,710 1,713 1,714 6,715 1,716 21,722 1,733 1,735 66,737 22,738 2,739 42,741 70,742 27,743 17,744 5,745 7,746 1,748 5,749 6,754 2,759 1,760 1,762 18,763 9,767 1,772 1,776 1,781 3,783 28,784 9,785 2,786 11,787 1,789 1,792 5,796 0.8,797 2,814 2,815 3,818 1,838 2,842 4,844 1,846 2,848 3,850 38,851 1,856 5,859 1,861 1,862 2,863 1,867 1,871 3,872 3,875 1,877 1,879 20.083,880 12.395,881 8.028,882 3.861,884 4.1,885 1.47,886 1.007,887 7.607,888 12.823,889 3.998,890 4.625,891 5.222,892 5.841,893 6.335,894 6.727,895 7.193,896 7.658,897 8.009,898 8.375,899 1,900 62,901 14.647,903 6.863,904 8.037,905 26.503,907 22.211,909 2.537,910 96.417,914 306.049,915 177.297,916 57.83,918 36.145,919 44.88,920 31.278,921 146.019,922 342.193,923 102.711,924 17.222,925 43.426,926 75.81,927 67.025,928 81.902,929 3.503,930 325.555,931 7.76,932 306.049,933 203.85,934 81.025,935 31.278,937 270.735,938 116.338,941 79.85,942 107.214,943 16.786,944 31.278,945 350.929,946 93.975,947 177.297,950 313.808,951 67.887,952 109.798,954 130.708,955 306.049,956 138.856,957 177.297,959 0.599,960 0.341,961 0.184,962 0.102,963 31,964 15,965 0.1,966 7,967 1,968 1.077,969 4.667,970 384.094,971 0.077,972 26,973 190.666,975 1,979 26.826,980 10.776,981 5.817,982 1.645,983 136.956,984 14.639,985 4.491,988 1.114,989 1.236,990 1.848,991 32.897,992 622.201,993 53.5,998 12.25,1002 -0.715,1005 67.265,1006 75.247,1007 0.295,1008 0.64,1009 0.797,1010 0.862,1011 0.899,1012 0.904,1013 5.279,1014 1.96,1015 6.24,1016 6.312,1017 4.828,1018 5.313,1019 3.328,1020 7.111,1021 4.686,1022 6.512,1023 1.894,1024 7.843,1025 5.529,1026 4.635,1027 5.247,1028 3.919,1029 8.244,1030 4.355,1031 7.844,1032 1.68,1033 9.552,1034 5.413,1035 6.518,1036 7.539,1037 5.45,1038 11.307,1039 6.224,1040 9.211,1041 1.424,1042 11.324,1043 4.546,1044 7.107,1045 8.299,1046 6.691,1047 13.253,1048 6.67,1049 10.612,1050 1.18,1051 13.138,1052 4.055,1053 8.525,1054 10.107,1055 8.06,1056 15.9,1057 8.06,1058 12.036,1059 1.131,1060 14.981,1061 3.021,1062 9.449,1063 11.249,1064 9.389,1065 18.164,1066 8.855,1067 13.48,1068 1,1069 16.847,1070 2.833,1071 10.706,1072 12.865,1073 10.734,1074 20.689,1075 10.061,1076 3.398,1077 0.985,1078 18.729,1079 2.461,1080 11.777,1081 14.19,1082 12.074,1083 23.082,1084 11.019,1085 3.222,1086 12.394,1087 20.626,1088 2.275,1089 12.98,1090 15.727,1091 13.417,1092 25.575,1093 12.154,1094 2.981,1095 11.077,1096 22.534,1097 4.57,1098 14.117,1099 17.139,1100 14.758,1101 28.023,1102 13.188,1103 2.677,1104 9.953,1105 24.452,1106 4.074,1107 15.306,1108 18.645,1109 16.1,1110 30.511,1111 14.298,1112 2.63,1113 8.522,1114 26.377,1115 4.014,1116 16.473,1117 20.099,1118 17.441,1119 32.984,1120 15.368,1121 2.388,1122 7.828,1123 28.309,1124 3.216,1125 17.662,1126 21.596,1127 18.783,1128 35.475,1129 16.471,1130 2.198,1131 7.312,1132 30.247,1133 2.938,1134 18.845,1135 23.072,1136 20.124,1137 37.962,1138 17.559,1139 21602,1140 37959,1141 27.452,1142 44.296,1143 65.578,1144 64.755,1145 66.344,1146 64.856,1147 64.588,1148 81.685,1149 15.689,1150 194.998,1151 59.984,1152 5.641,1153 6.473,1154 6.957,1155 5.456,1156 5.398,1157 7.57,1158 5.335,1159 20.104,1160 5.083,1161 22.432,1162 1.561,1163 1.542,1164 1.58,1165 1.544,1166 1.538,1167 1.945,1168 0.374,1169 4.643,1170 1.428,1171 4.148,1172 4.182,1173 4.307,1174 4.061,1175 8.513,1176 4.054,1177 3.967,1178 3.99,1179 3.997,1180 3.892,1181 7.999,1182 3.893,1183 3.859,1184 3.918,1185 3.916,1186 3.834,1187 7.999,1188 3.786,1189 3.804,1190 3.824,1191 3.711,1192 3.617,1193 7.437,1194 3.629,1195 3.461,1196 3.525,1197 3.376,1198 3.279,1199 5.053,1200 3.295,1201 3.401,1202 3.46,1203 3.347,1204 3.228,1205 4.898,1206 3.217,1207 3.314,1208 3.362,1209 3.257,1210 3.01,1211 4.774,1212 3.065,1213 3.26,1214 3.334,1215 3.21,1216 3,1217 4.62,1218 3.028,1219 0.111,1220 0.107,1221 0.173,1222 0.102,1223 0.081,1224 4.641,1225 0.109,1226 4.473,1227 0.091,1228 7.279,1229 0.295,1230 4.289,1231 0.073,1232 3.398,1233 4.57,1234 3.825,1235 12.394,1236 3.083,1237 1.953,1238 1.925,1239 2.056,1240 2.069,1241 1.326,1242 2.07,1243 1.932,1244 1.911,1245 2.036,1246 2.028,1247 1.203,1248 2.028,1249 1.756,1250 1.683,1251 1.95,1252 1.961,1253 1.167,1254 1.963,1255 1.57,1256 1.554,1257 1.722,1258 1.755,1259 0.831,1260 1.733,1261 1.523,1262 1.507,1263 1.615,1264 1.7,1265 0.825,1266 1.686,1267 1.37,1268 1.309,1269 1.574,1270 1.599,1271 0.788,1272 1.606,1273 1.281,1274 1.202,1275 1.513,1276 1.54,1277 0.687,1278 1.555,1279 1.153,1280 1.064,1281 1.503,1282 1.44,1283 0.639,1284 1.429,1285 4.443,1287 5.808,1288 3.045,1289 7.349,1290 5.416,1291 8.971,1292 7.535,1293 10.636,1295 3.64,1297 40.644,1299 5.623,1301 4.865,1304 5.918,1306 -0.969,1307 4.717,1308 -4.53,1312 42.722,1313 117.578,1314 255.404,1315 317.91,1316 343.91,1317 358.665,1318 360.665,1319 88.952,1320 8.723,1321 76.62,1322 104.86,1323 28,1324 13.024,1325 4.524,1326 3.644,1327 59.042,1328 186,1329 217,1330 0.153,1331 260.212,1332 453.16,1333 626.678,1334 87950,1335 4.5,1336 27.026,1337 0.711,1338 0.575,1339 24.88,1340 21.85,1341 18.096,1342 0.431,1343 0.311,1344 12.07,1345 16.772,1346 11.729,1347 9.633,1348 17.293,1349 13.052,1350 17.739,1351 0.286,1352 0.17,1353 16.36,1354 10.535,1355 13.964,1356 0.172,1357 0.098,1358 14.135,1359 7.898,1360 11.905,1361 0.109,1362 0.052,1363 12.072,1364 5.622,1365 9.733,1366 0.072,1367 0.029,1368 9.676,1369 3.94,1370 0.241,1371 118.894,1372 0.191,1373 34.394,1374 0.415,1375 208,1376 772.557,1377 266.999,1378 683.72,1379 908,1380 636,1381 247,1382 633.799,1383 300.972,1384 638.183,1385 962.17,1386 598,1387 5.26} {0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,119 39.4,121 6,122 1,124 2,125 3,135 1,136 1,142 3,143 2,144 1,146 1,151 1,158 3,161 1,172 14,174 1,175 2,178 2,180 2,183 18,187 4,188 1,191 2,192 1,193 3,196 17,200 5,203 1,205 3,208 13,213 10,218 5,221 11,224 1,225 10,228 1,230 6,233 10,239 10,244 3,247 6,253 14,256 1,258 3,261 2,266 11,271 3,278 2378,279 22.955,280 22.955,281 22.955,282 22.955,283 22.955,284 21.126,285 30.676,286 13.561,287 23.298,288 18.202,289 18.202,290 18.202,291 18.202,292 18.202,293 15.135,294 33.548,295 6.375,296 18.738,297 4.541,298 2.28,299 1.065,300 0.78,301 0.72,302 0.72,303 4.253,308 1,309 976,310 4,313 110.516,314 361.297,321 2.176,322 33.048,325 1,326 0.83,327 1,328 1,329 0.5,330 1,331 1,332 0.9,333 73,334 459,335 4.442,336 4.059,337 6.555,338 4.093,339 3.103,340 4.07,341 2.035,342 10.408,343 3.073,344 4.263,345 3.737,346 6.14,347 3.856,348 2.888,349 3.881,350 1.989,351 9.02,352 2.797,353 4.009,354 3.581,355 6.076,356 3.799,357 2.834,358 3.231,359 1.058,360 8.807,361 2.732,362 3.869,363 3.199,364 5.988,365 3.628,366 2.64,367 3.101,368 0.835,369 8.479,370 2.596,371 3.782,372 2.947,373 5.315,374 3.309,375 2.331,376 3.008,377 0.543,378 6.723,379 2.271,380 3.504,381 2.54,382 5.144,383 3.113,384 2.146,385 2.706,387 6.088,388 2.095,389 3.154,390 2.514,391 4.754,392 3.013,393 2.076,394 2.16,396 5.341,397 1.924,398 3.094,399 2.393,400 4.438,401 2.579,402 1.592,403 1.903,405 4.362,406 1.565,407 2.821,408 2.238,409 4.157,410 2.544,411 1.55,412 1.825,414 3.658,415 1.539,416 2.751,417 1.685,418 3.894,419 2.188,420 1.212,421 1.733,423 3.038,424 1.17,425 2.479,426 1.656,427 3.801,428 2.068,429 1.075,430 1.29,432 2.816,433 1.057,434 2.365,435 1.462,436 3.479,437 2,438 1,439 1.264,441 2.474,442 1,443 2.343,444 1.293,445 3.414,446 2,447 1,448 1.033,450 2.275,451 1,452 2.161,453 1.077,454 3.273,455 1.984,456 1,457 1.007,459 2.136,460 0.983,461 2.052,462 1.056,463 3.247,464 1.608,465 0.682,466 1,468 1.665,469 0.629,470 16.067,471 0.473,472 0.818,473 0.024,474 40.25,475 1.184,476 18,477 0.529,478 22.25,479 0.654,480 34.026,481 1.001,482 37.333,483 0.566,484 32.335,485 0.951,486 7.5,487 0.221,488 8.94,489 0.263,490 0.129,492 0.33,497 0.737,498 1.47,499 0.845,500 1.185,501 0.485,502 1.048,503 0.754,504 1.065,505 0.905,506 0.973,507 0.45,508 0.95,509 0.685,510 0.972,511 0.988,512 1.099,513 0.697,514 1.093,515 0.918,516 1.033,517 0.895,518 1.046,519 0.942,520 0.987,521 1.375,522 0.945,523 1.05,524 0.93,525 1.293,526 0.952,527 0.818,528 1.08,529 1.022,530 1.118,531 0.611,532 1.101,533 0.777,534 1.02,535 0.96,536 1.062,537 0.67,538 1.04,539 0.936,540 0.966,541 0.94,542 0.992,543 0.909,544 0.977,545 7,546 0.205,547 4,548 1.972,549 1.722,550 1.354,551 0.843,552 0.446,553 0.441,554 0.346,555 16678,556 41855,557 2.059,558 48.5,559 9,560 16,561 1,563 2,565 4,568 1.762,569 1.925,570 3.695,571 0.177,578 99.209,579 1.503,580 3.765,581 4.98,582 5.264,583 5.325,584 5.325,585 3.257,586 4.558,587 5.051,588 3.878,589 2175.75,590 8.878,591 33647.9,596 398.93,597 1.419,598 5.016,599 0.189,600 0.006,601 0.078,602 0.038,603 0.034,604 0.027,605 0.017,606 0.009,607 0.01,608 0.009,609 0.417,610 0.33,611 0.88,612 1.096,613 182.986,614 -0.027,615 -0.21,616 0.052,617 -0.06,618 0.031,619 -0.004,620 0.073,621 0.081,622 0.04,623 0.062,624 0.077,625 0.051,626 0.173,627 0.065,628 -0.036,629 -0.058,630 0.078,631 -0.077,632 0.017,633 -0.082,634 0.079,635 -0.026,636 0.018,637 0.026,638 -0.184,639 0.035,640 -0.052,641 0.067,642 -0.113,643 0.031,645 -0.056,646 -0.07,647 -0.088,648 0.093,649 -0.088,650 -0.022,651 -0.059,652 -0.003,653 -0.042,654 -0.001,655 -0.021,656 -0.02,657 -0.043,658 0.041,659 0.005,660 -0.023,661 0.026,662 2.028,663 5.767,664 0.676,665 42.291,666 0.996,667 1.133,668 2.332,669 5.438,670 0.649,671 3.638,672 3.951,673 4.205,674 4.443,675 4.654,676 4.754,677 4.898,678 5.037,679 5.187,680 5.298,681 7.819,682 0.612,683 460.64,684 3.638,685 5.176,686 6.019,687 6.889,688 7.75,689 8.625,690 9.494,691 10.373,692 11.247,693 12.127,694 9.1,697 1,701 2,702 1,703 1,704 1,709 4,710 1,711 1,714 5,716 11,718 1,723 1,735 66,737 15,738 1,739 37,741 69,742 26,743 9,744 3,745 3,746 3,748 4,749 4,757 6,758 1,760 6,761 1,762 13,763 12,764 1,767 3,772 2,774 1,776 3,783 32,784 7,785 2,786 8,789 1,792 6,796 1,797 2,814 1,815 3,829 1,833 1,834 1,838 1,842 4,846 2,850 34,856 9,858 1,861 1,862 2,864 1,868 1,870 1,872 3,875 2,879 17.667,880 12.383,881 7.556,882 4.199,884 2.276,885 1.292,886 0.969,887 7.824,888 10.072,889 3.882,890 4.379,891 4.899,892 5.389,893 5.796,894 6.096,895 6.336,896 6.63,897 6.949,898 7.285,899 1,900 52,901 12.638,903 5.36,904 7.755,905 24.414,907 20.272,909 2.255,910 76.667,914 353.133,915 128.679,916 88.89,918 50.29,921 128.679,922 403.423,923 88.89,924 16.793,925 42.659,926 46.952,927 95.414,928 66.039,929 11.771,930 341.362,932 353.133,933 217.568,934 50.29,937 306.049,938 97.374,941 98.713,942 92.593,943 26.262,945 353.133,946 139.18,947 128.679,950 353.133,951 48.332,952 69.994,953 51.398,954 98.135,955 353.133,956 139.18,957 128.679,959 0.578,960 0.333,961 0.177,962 0.095,963 23,964 11,965 0.087,966 6,968 1,969 4.449,970 313.904,972 23,973 166.974,979 24.198,980 10.994,981 5.961,983 122.394,984 7.721,985 4.019,986 2.768,989 3.383,991 34.796,992 620.991,993 47.5,998 25.175,1000 2.279,1002 1.089,1005 65.752,1006 74.806,1007 0.249,1008 0.623,1009 0.824,1010 0.871,1011 0.881,1012 0.881,1013 5.14,1014 1.592,1015 5.999,1016 5.341,1017 4.635,1018 5.066,1019 2.981,1020 6.79,1021 4.582,1022 6.325,1023 1.55,1024 7.548,1025 4.362,1026 4.205,1027 4.808,1028 1.738,1029 7.653,1030 4.133,1031 7.617,1032 1.212,1033 9.195,1034 3.658,1035 6.213,1036 7.137,1037 4.082,1038 10.726,1039 6.111,1040 8.94,1041 1.075,1042 10.899,1043 3.038,1044 6.594,1045 7.728,1046 3.224,1047 12.405,1048 6.476,1049 10.295,1050 1,1051 12.64,1052 2.816,1053 8.063,1054 9.516,1055 5.387,1056 14.982,1057 7.921,1058 11.672,1059 1,1060 14.406,1061 2.474,1062 8.813,1063 10.495,1064 4.689,1065 16.998,1066 8.657,1067 13.065,1068 1,1069 16.189,1070 2.275,1071 10.061,1072 12.061,1073 6.756,1074 19.398,1075 9.885,1076 3.103,1077 0.682,1078 17.986,1079 2.136,1080 10.989,1081 13.234,1082 6.118,1083 21.568,1084 10.799,1085 2.888,1086 10.408,1087 19.792,1088 1.665,1089 12.144,1090 14.703,1091 8.147,1092 23.904,1093 11.937,1094 2.834,1095 9.02,1096 21.606,1097 4.07,1098 13.157,1099 15.975,1100 7.524,1101 26.147,1102 12.939,1103 2.64,1104 8.807,1105 23.426,1106 3.881,1107 14.275,1108 17.4,1109 9.547,1110 28.463,1111 14.042,1112 2.331,1113 8.479,1114 25.251,1115 3.231,1116 15.332,1117 18.725,1118 8.915,1119 30.743,1120 15.087,1121 2.146,1122 6.723,1123 27.08,1124 3.101,1125 16.436,1126 20.13,1127 10.952,1128 33.056,1129 16.18,1130 2.076,1131 6.088,1132 28.914,1133 3.008,1134 17.515,1135 21.484,1136 10.3,1137 35.356,1138 17.249,1139 16131,1140 25792,1141 24.561,1142 42.841,1143 57.336,1144 59.698,1145 56.936,1146 54.994,1147 55.039,1148 67.878,1149 12.918,1150 155.887,1151 53.585,1152 5.442,1153 6.059,1154 6.357,1155 5.143,1156 5.103,1157 7.07,1158 4.069,1159 17.274,1160 5.073,1161 18.175,1162 1.55,1163 1.613,1164 1.539,1165 1.486,1166 1.488,1167 1.835,1168 0.349,1169 4.213,1170 1.448,1171 4.056,1172 4.093,1173 4,1174 3.982,1175 7.431,1176 3.979,1177 3.92,1178 3.974,1179 3.882,1180 3.729,1181 7.426,1182 3.762,1183 3.85,1184 3.904,1185 3.749,1186 3.726,1187 6.821,1188 3.721,1189 3.733,1190 3.788,1191 3.626,1192 3.589,1193 4.892,1194 3.593,1195 3.601,1196 3.68,1197 3.465,1198 3.397,1199 4.746,1200 3.405,1201 3.332,1202 3.377,1203 3.283,1204 3.103,1205 4.357,1206 3.141,1207 3.222,1208 3.268,1209 3.114,1210 3.009,1211 4.308,1212 3.023,1213 3.111,1214 3.206,1215 2.952,1216 2.945,1217 4.207,1218 2.935,1219 0.12,1220 0.11,1221 0.177,1222 0.111,1223 0.084,1224 4.442,1225 0.11,1226 4.059,1227 0.055,1228 6.555,1229 0.281,1230 4.093,1231 0.083,1232 3.103,1233 4.07,1234 2.035,1235 10.408,1236 3.073,1237 2.011,1238 1.984,1239 2.135,1240 2.103,1241 1.457,1242 2.114,1243 1.845,1244 1.794,1245 2.045,1246 2.002,1247 1.393,1248 2.016,1249 1.709,1250 1.657,1251 1.885,1252 1.892,1253 1.073,1254 1.895,1255 1.574,1256 1.502,1257 1.825,1258 1.827,1259 0.982,1260 1.826,1261 1.513,1262 1.462,1263 1.632,1264 1.741,1265 0.825,1266 1.72,1267 1.458,1268 1.417,1269 1.513,1270 1.654,1271 0.73,1272 1.617,1273 1.197,1274 1.134,1275 1.504,1276 1.45,1277 0.648,1278 1.448,1279 1.153,1280 1.064,1281 1.447,1282 1.376,1283 0.603,1284 1.429,1285 4.317,1287 5.631,1288 2.398,1289 7.132,1290 4.595,1291 8.714,1292 6.581,1293 10.341,1295 3.835,1301 8.225,1303 2.991,1306 0.388,1307 3.879,1310 8.981,1311 1.934,1312 40.406,1313 99.209,1314 248.469,1315 328.665,1316 347.42,1317 351.42,1318 351.42,1319 72.414,1320 7.796,1321 105.12,1322 105.12,1323 23,1324 12.664,1325 4,1326 3.524,1327 56.78,1328 153,1329 174,1330 0.174,1331 250.082,1332 444.3,1333 601.96,1334 25148,1336 24.079,1337 0.708,1338 0.586,1339 24.079,1340 19.933,1341 16.44,1342 0.444,1343 0.324,1344 11.816,1345 15.858,1346 11.495,1347 9.558,1348 16.44,1349 11.97,1350 14.737,1351 0.289,1352 0.184,1353 14.737,1354 9.373,1355 12.113,1356 0.184,1357 0.1,1358 12.113,1359 6.607,1360 9.955,1361 0.119,1362 0.057,1363 9.955,1364 4.783,1365 7.72,1366 0.074,1367 0.033,1368 7.72,1369 3.444,1370 0.275,1371 102.775,1372 0.202,1373 31.59,1374 0.474,1375 176,1376 482.717,1377 190.836,1378 472.942,1379 637.26,1380 440,1381 205,1382 458.949,1383 220.948,1384 469.617,1385 680.35,1386 439,1387 5.328} {0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,119 41.4,120 1,124 3,127 1,142 6,143 1,144 6,145 2,146 1,151 1,159 1,161 1,172 2,175 11,178 2,179 1,180 2,183 3,187 1,188 8,191 2,193 3,196 4,199 3,200 5,205 2,208 5,212 4,213 4,216 3,218 3,221 4,224 1,225 5,233 4,238 1,239 6,242 1,244 2,247 4,252 2,253 7,258 1,261 2,265 1,266 4,269 1,271 3,278 2118,279 23.281,280 23.281,281 23.281,282 23.281,283 23.281,284 20.546,285 29.158,286 13.636,287 24.349,288 18.084,289 18.084,290 18.084,291 18.084,292 18.084,293 13.753,294 39.065,295 6.209,296 19.529,297 4.133,298 2.056,299 1.074,300 0.69,301 0.608,302 0.431,303 4.254,308 1,309 1012,310 4.062,313 111.91,314 315.11,318 169.572,321 2.256,322 34.222,325 1,326 0.67,327 1,328 0.6,330 1,331 1,332 0.75,333 75,334 472,335 4.575,336 3.585,337 6.585,338 4.099,339 3.135,340 4.513,341 1.659,342 10.529,343 3.023,344 4.283,345 3.329,346 6.197,347 3.886,348 2.933,349 3.921,350 0.86,351 9.273,352 2.789,353 4.08,354 3.15,355 6.044,356 3.726,357 2.81,358 3.575,359 0.86,360 8.662,361 2.571,362 3.991,363 3.027,364 6.037,365 3.582,366 2.652,367 3.493,368 0.86,369 8.625,370 2.457,371 3.678,372 2.961,373 5.4,374 3.277,375 2.335,376 2.994,377 0.86,378 7.015,379 2.184,380 3.509,381 2.549,382 5.092,383 3.085,384 2.15,385 2.798,386 0.564,387 6.11,388 1.993,389 3.327,390 2.228,391 4.97,392 2.859,393 1.908,394 2.63,395 0.133,396 5.701,397 1.809,398 2.999,399 1.967,400 4.488,401 2.581,402 1.663,403 2.22,405 4.379,406 1.511,407 2.956,408 1.932,409 4.354,410 2.532,411 1.588,412 2.073,414 4.164,415 1.495,416 2.854,417 1.827,418 4.074,419 2.425,420 1.464,421 1.959,423 3.582,424 1.392,425 2.692,426 1.471,427 3.886,428 2.256,429 1.347,430 1.751,432 3.079,433 1.214,434 2.123,435 1.014,436 3.263,437 1.684,438 0.772,439 1.005,441 1.833,442 0.692,443 2.118,444 1,445 3.2,446 1.569,447 0.67,448 0.927,450 1.446,451 0.595,452 1.909,453 0.959,454 3,455 1.444,456 0.618,457 0.804,459 1.372,460 0.486,461 1.771,462 0.94,463 2.977,464 1.415,465 0.542,466 0.639,468 1.01,469 0.481,470 16.1,471 0.474,472 0.742,473 0.022,474 46.75,475 1.375,476 24,477 0.706,478 22.75,479 0.669,480 28.055,481 0.825,482 36.7,483 0.633,484 38.204,485 1.124,486 9.515,487 0.28,488 7.001,489 0.206,490 0.145,492 0.342,497 0.889,498 1.317,499 0.716,500 1.061,501 0.703,502 0.93,503 1.188,504 0.982,505 0.848,506 0.845,507 0.783,508 0.747,509 1.216,510 1.052,511 0.999,512 0.989,513 1.11,514 0.924,515 1.146,516 1.216,517 1.165,518 1.213,519 1.102,520 1.135,521 0.994,522 0.925,523 0.891,524 0.934,525 1.316,526 1.037,527 0.962,528 0.997,529 0.833,530 0.92,531 1.075,532 0.962,533 1.112,534 0.892,535 0.919,536 0.848,537 1.257,538 0.978,539 1.043,540 1.013,541 0.97,542 1.013,543 0.692,544 1.022,545 7,546 0.227,547 3.778,548 2.153,549 2.441,550 1.052,551 0.879,552 0.572,553 0.365,554 0.298,555 17564,556 54100,557 2.059,558 41.4,560 16,561 1,562 2,563 2,565 3,568 1.758,569 1.925,570 3.74,571 0.235,573 1,578 100.075,579 1.725,580 3.802,581 4.784,582 5.168,583 5.25,584 5.427,585 3.282,586 4.676,587 5.058,588 3.941,589 2211.08,590 8.859,591 34684.5,596 339.763,597 1.419,598 5.016,599 0.189,600 0.008,601 0.074,602 0.04,603 0.046,604 0.021,605 0.019,606 0.014,607 0.009,608 0.008,609 0.429,610 0.33,611 0.88,612 0.865,613 184.239,614 -0.076,615 -0.185,616 0.065,617 -0.071,618 -0.078,619 -0.016,620 -0.08,621 0.08,622 0.102,623 0.15,624 0.039,625 0.176,626 -0.094,627 0.023,628 -0.087,629 -0.028,630 -0.113,631 -0.021,632 -0.065,633 -0.17,634 -0.221,635 -0.221,636 -0.061,637 -0.207,638 0.097,639 0.043,640 -0.037,641 -0.041,642 0.021,643 -0.091,644 -0.025,645 -0.062,646 0.037,647 -0.005,648 -0.001,649 0.031,650 -0.085,651 0.065,652 -0.046,653 0.058,654 -0.113,655 -0.012,656 -0.049,657 -0.057,658 0.005,659 -0.02,660 -0.018,661 -0.028,662 2.032,663 5.46,664 0.618,665 39.27,666 1.016,667 1.123,668 0.49,669 0.24,670 0.682,671 3.638,672 3.951,673 4.234,674 4.489,675 4.682,676 4.762,677 4.868,678 4.977,679 5.088,680 5.136,681 8.16,682 0.657,683 480.59,684 3.638,685 5.176,686 6.028,687 6.905,688 7.773,689 8.653,690 9.527,691 10.408,692 11.285,693 12.168,694 6.9,701 2,704 2,708 2,709 9,710 2,713 1,714 7,716 22,733 4,735 58,737 23,738 2,739 37,741 61,742 24,743 18,744 7,745 5,748 4,749 5,753 1,754 1,760 1,762 19,763 5,767 1,772 1,776 1,783 24,784 9,785 2,786 10,787 1,792 4,796 0.75,797 5,808 1,814 1,815 3,819 1,842 3,844 1,846 4,850 34,858 2,859 4,861 1,866 1,872 8.6,875 1,877 4,879 17.667,880 11.733,881 7.722,882 3.101,884 3.986,885 1.499,886 0.965,887 7.824,888 11.975,889 3.912,890 4.525,891 5.122,892 5.715,893 6.236,894 6.548,895 6.921,896 7.324,897 7.728,898 7.939,899 1,900 54,901 12.504,903 5.192,904 7.789,905 23.479,907 18.432,909 2.289,910 77.833,914 258.964,915 194.25,916 69.593,918 69.144,920 31.278,921 162.972,922 328.109,923 69.593,924 41.474,925 36.022,926 64.507,927 83.188,928 95.785,929 16.047,930 254.929,932 258.964,933 232.565,934 69.144,935 31.278,937 223.651,938 104.458,941 66.015,942 132.978,943 33.571,944 31.278,945 258.964,946 138.737,947 194.25,950 258.964,951 70.174,952 124.076,953 36.022,954 102.716,955 258.964,956 138.737,957 194.25,959 0.572,960 0.35,961 0.194,962 0.1,963 23,964 11,965 0.131,966 8,967 1,968 1.095,969 4.459,970 312.161,971 0.095,972 21,973 172.974,975 1,979 24.198,980 10.994,981 5.6,982 1.461,983 138.737,984 15.766,985 8.611,988 1.481,989 4.05,991 36.022,992 591.951,993 49,998 12.46,1002 -0.365,1005 58.956,1006 65.112,1007 0.295,1008 0.649,1009 0.817,1010 0.882,1011 0.896,1012 0.926,1013 5.139,1014 1.663,1015 6.009,1016 5.701,1017 4.635,1018 5.212,1019 2.506,1020 6.817,1021 4.497,1022 6.348,1023 1.588,1024 7.567,1025 4.379,1026 4.205,1027 5.037,1028 1.195,1029 7.703,1030 4.04,1031 7.658,1032 1.464,1033 9.222,1034 4.164,1035 6.229,1036 7.442,1037 2.765,1038 10.786,1039 5.982,1040 9.005,1041 1.347,1042 10.933,1043 3.582,1044 6.621,1045 8.102,1046 2.324,1047 12.471,1048 6.332,1049 10.383,1050 0.772,1051 12.68,1052 3.079,1053 8.089,1054 9.965,1055 3.378,1056 15.06,1057 7.749,1058 11.781,1059 0.67,1060 14.451,1061 1.833,1062 8.858,1063 11.027,1064 3.415,1065 17.084,1066 8.469,1067 13.196,1068 0.618,1069 16.238,1070 1.446,1071 10.105,1072 12.668,1073 4.209,1074 19.497,1075 9.678,1076 3.135,1077 0.542,1078 18.038,1079 1.372,1080 11.052,1081 13.937,1082 4.478,1083 21.676,1084 10.578,1085 2.933,1086 10.529,1087 19.847,1088 1.01,1089 12.21,1090 15.484,1091 5.142,1092 24.025,1093 11.703,1094 2.81,1095 9.273,1096 21.664,1097 4.513,1098 13.241,1099 16.86,1100 5.522,1101 26.278,1102 12.691,1103 2.652,1104 8.662,1105 23.488,1106 3.921,1107 14.365,1108 18.369,1109 6.117,1110 28.607,1111 13.783,1112 2.335,1113 8.625,1114 25.316,1115 3.575,1116 15.436,1117 19.801,1118 6.554,1119 30.898,1120 14.816,1121 2.15,1122 7.015,1123 27.149,1124 3.493,1125 16.549,1126 21.297,1127 7.11,1128 33.224,1129 15.898,1130 1.908,1131 6.11,1132 28.986,1133 2.994,1134 17.642,1135 22.76,1136 7.577,1137 35.536,1138 16.955,1139 16807,1140 29673,1141 24.561,1142 39.557,1143 54.563,1144 56.017,1145 56.598,1146 54.04,1147 54.31,1148 71.879,1149 11.591,1150 155.338,1151 50.362,1152 5.483,1153 5.585,1154 6.182,1155 5.196,1156 5.135,1157 7.513,1158 2.921,1159 17.464,1160 5.023,1161 17.822,1162 1.475,1163 1.514,1164 1.53,1165 1.461,1166 1.468,1167 1.943,1168 0.313,1169 4.198,1170 1.361,1171 4.084,1172 4.1,1173 4.213,1174 3.997,1175 7.431,1176 4.008,1177 3.92,1178 3.947,1179 4.053,1180 3.847,1181 5.084,1182 3.828,1183 3.844,1184 3.869,1185 3.867,1186 3.804,1187 4.887,1188 3.755,1189 3.544,1190 3.57,1191 3.5,1192 3.372,1193 4.847,1194 3.392,1195 3.492,1196 3.537,1197 3.447,1198 3.286,1199 4.722,1200 3.293,1201 3.26,1202 3.32,1203 3.12,1204 3.003,1205 4.51,1206 3.025,1207 3.246,1208 3.312,1209 3.065,1210 2.961,1211 4.473,1212 2.975,1213 3.225,1214 3.294,1215 3.058,1216 2.958,1217 4.234,1218 2.969,1219 0.124,1220 0.097,1221 0.178,1222 0.111,1223 0.085,1224 4.575,1225 0.122,1226 3.585,1227 0.045,1228 6.585,1229 0.285,1230 4.099,1231 0.082,1232 3.135,1233 4.513,1234 1.659,1235 10.529,1236 3.023,1237 2.02,1238 2.006,1239 2.075,1240 2.123,1241 1.207,1242 2.108,1243 1.866,1244 1.848,1245 1.953,1246 1.994,1247 1.066,1248 1.979,1249 1.636,1250 1.59,1251 1.822,1252 1.834,1253 1.035,1254 1.836,1255 1.462,1256 1.439,1257 1.646,1258 1.678,1259 0.658,1260 1.664,1261 1.356,1262 1.325,1263 1.576,1264 1.525,1265 0.575,1266 1.54,1267 1.198,1268 1.144,1269 1.569,1270 1.521,1271 0.573,1272 1.531,1273 1.192,1274 1.12,1275 1.482,1276 1.504,1277 0.556,1278 1.517,1279 1.176,1280 1.117,1281 1.456,1282 1.459,1283 0.518,1284 1.449,1285 4.317,1287 5.631,1288 2.398,1289 7.141,1290 4.443,1291 8.745,1292 6.293,1293 10.4,1295 6.548,1303 5.667,1304 22.373,1306 -0.218,1312 38.115,1313 100.075,1314 220.499,1315 277.459,1316 299.724,1317 304.479,1318 314.743,1319 60.341,1320 7.989,1321 103.83,1322 132.07,1323 23,1324 12.703,1325 4.585,1326 3.7,1327 57.09,1328 168,1329 156,1330 0.165,1331 237.501,1332 408.14,1333 571.262,1334 35855,1336 24.079,1337 0.708,1338 0.586,1339 24.432,1340 19.934,1341 16.516,1342 0.446,1343 0.304,1344 10.199,1345 15.129,1346 9.788,1347 8.188,1348 16.97,1349 11.235,1350 14.365,1351 0.282,1352 0.159,1353 14.948,1354 8.114,1355 12.349,1356 0.182,1357 0.088,1358 13.065,1359 5.984,1360 10.392,1361 0.118,1362 0.046,1363 11.002,1364 4.013,1365 7.966,1366 0.074,1367 0.022,1368 8.266,1369 2.392,1370 0.264,1371 110.101,1372 0.202,1373 31.799,1374 0.437,1375 176,1376 605.494,1377 221.611,1378 585.618,1379 798.79,1380 552,1381 207,1382 570.1,1383 248.567,1384 587.54,1385 855.08,1386 548,1387 5} {0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,119 44.4,125 4,135 2,142 8,143 3,146 1,152 1,158 1,168 1,172 12,174 1,175 4,180 2,183 14,188 7,191 1,193 3,196 11,200 6,205 3,208 7,213 3,216 1,218 3,221 7,225 4,230 4,233 7,239 4,244 3,247 8,253 1,258 1,261 7,266 2,269 2,271 1,274 4,278 873,279 17.413,280 17.413,281 17.413,282 17.413,283 17.413,284 15.36,285 10.372,286 10.451,287 17.65,288 13.826,289 13.826,290 13.826,291 13.826,292 13.826,293 10.67,294 13.198,295 4.96,296 14.164,297 4.019,298 2.116,299 1.422,300 0.756,301 0.622,302 0.622,303 3.97,306 1,307 1,308 1,309 649,310 2.828,313 58.768,314 241.746,317 109.851,321 1.904,322 16.341,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 53,334 292,335 4.533,336 3.693,337 6.526,338 4.045,339 3.063,340 4.486,341 1.2,342 10.265,343 3.005,344 4.264,345 3.063,346 6.391,347 3.957,348 2.973,349 3.811,350 0.4,351 9.667,352 2.926,353 3.864,354 2.578,355 5.42,356 3.499,357 2.514,358 3.237,359 0.293,360 7.116,361 2.476,362 3.467,363 2.419,364 5.171,365 3.108,366 2.139,367 2.815,369 6.188,370 2.064,371 3.281,372 2.034,373 5.073,374 2.949,375 1.972,376 2.43,378 5.877,379 1.923,380 3.046,381 1.838,382 4.186,383 2.528,384 1.546,385 2.318,387 3.765,388 1.516,389 2.775,390 1.667,391 3.899,392 2.45,393 1.497,394 1.81,396 3.319,397 1.423,398 2.66,399 1.546,400 3.593,401 2.197,402 1.205,403 1.671,405 2.815,406 1.194,407 2.5,408 1.203,409 3.414,410 2,411 1,412 1.5,414 2.275,415 1,416 2.405,417 1.146,418 3.377,419 1.967,420 1,421 1.25,423 2.136,424 0.965,425 2.112,426 1,427 3.247,428 1.868,429 0.878,430 1,432 2.07,433 0.863,434 2,435 0.809,436 3.232,437 1.716,438 0.709,439 0.944,441 1.681,442 0.709,443 1.958,444 0.435,445 2.97,446 1.38,447 0.386,448 0.595,450 0.917,451 0.383,452 1.027,453 -0.101,454 2.373,455 0.626,456 -0.379,457 -0.488,459 -0.904,460 -0.378,461 0.7,462 -0.405,463 2.104,464 0.247,465 -0.745,466 -0.814,468 -1.61,469 -0.734,470 11.933,471 0.477,472 0.448,473 0.018,474 33,475 1.32,476 17,477 0.68,478 16,479 0.64,480 17.41,481 0.696,482 25.867,483 0.575,484 22.991,485 0.92,486 6.78,487 0.271,488 5.53,489 0.221,490 0.028,492 0.285,497 0.734,498 1.155,499 0.787,500 0.975,501 0.562,502 0.897,503 0.922,504 1.128,505 0.961,506 0.983,507 0.639,508 0.965,509 0.925,510 0.999,511 0.955,512 1.013,513 0.777,514 0.986,515 1.561,516 1.006,517 1.127,518 1.021,519 1.881,520 1.032,521 1.349,522 0.855,523 1.065,524 0.91,525 1.781,526 0.961,527 0.638,528 1.112,529 0.969,530 1.138,531 0.634,532 1.105,533 0.81,534 0.936,535 0.956,536 0.954,537 0.671,538 0.966,539 0.821,540 0.942,541 0.989,542 1.002,543 0.821,544 1.013,545 3.5,546 0.115,547 2.889,548 1.479,549 0.796,550 0.486,551 0.372,552 0.205,553 0.108,554 0.128,555 8527,556 20263,557 2.179,558 44.4,560 18,563 2,568 1.672,569 2.113,570 3.504,571 0.233,572 1,573 1,578 66.256,579 1.472,580 3.376,581 4.07,582 4.736,583 4.87,584 4.87,585 2.919,586 4.214,587 4.618,588 3.671,589 1101.36,590 7.942,591 13891,593 1,595 1,596 247.133,597 1.078,598 4.606,599 0.125,600 0.007,601 0.076,602 0.04,603 0.027,604 0.019,605 0.015,606 0.009,607 0.006,608 0.008,609 0.332,610 0.5,611 1,612 0.372,613 123.075,614 0.04,615 0.001,616 0.056,617 0.017,618 -0.012,619 0.033,620 -0.022,621 -0.012,622 -0.06,623 -0.021,624 -0.008,625 -0.038,626 -0.011,627 0.005,628 0.001,629 -0.033,630 0.068,631 -0.013,632 -0.198,633 -0.056,634 -0.117,635 -0.049,636 -0.166,637 -0.07,638 -0.095,639 0.077,640 -0.061,641 0.081,642 -0.173,643 0.021,644 0.01,645 -0.164,646 -0.033,647 -0.117,648 0.013,649 -0.089,650 -0.04,651 0.006,652 0.027,653 0.036,654 0.015,655 0.04,656 -0.05,657 -0.003,658 -0.019,660 -0.061,661 -0.003,662 1.559,663 5.469,664 0.84,665 23.357,666 0.996,667 1.123,668 2.39,669 5.71,670 0.679,671 3.367,672 3.664,673 3.951,674 4.174,675 4.344,676 4.317,677 4.419,678 4.489,679 4.489,680 4.595,681 6.868,682 0.645,683 332.44,684 3.367,685 4.89,686 5.74,687 6.6,688 7.461,689 8.326,690 9.191,691 10.057,692 10.924,693 11.792,694 8.9,696 1,701 1,702 1,704 1,708 2,709 8,710 1,711 1,714 3,716 16,724 1,735 45,737 18,738 2,739 28,741 48,742 20,743 13,744 4,745 8,746 3,748 4,749 5,762 16,763 4,767 2,772 1,774 2,776 1,779 1,780 1,783 20,784 4,785 2,786 5,792 4,796 0.75,797 1,806 1,814 1,815 3,818 1,833 2,837 1,842 3,850 25,856 4,858 1,862 1,872 2.2,875 1,879 11.833,880 7.9,881 5.528,882 2.725,884 3.813,885 1.518,886 1.03,887 4.53,888 11.177,889 3.664,890 4.245,891 4.878,892 5.45,893 5.943,894 6.239,895 6.66,896 7.041,897 7.276,898 7.737,899 0.875,900 37,901 9.239,903 3.93,904 7.62,905 17.912,907 14.845,909 2.12,910 53,913 1,914 211.88,915 121.735,916 54.461,918 25.145,921 121.735,922 237.025,923 54.461,925 11.547,926 112.773,927 46.513,928 27.751,929 2.757,930 211.88,932 211.88,933 176.196,934 25.145,937 211.88,938 25.145,941 48.365,942 92.215,943 35.616,945 211.88,946 79.606,947 121.735,950 211.88,951 26.972,952 97.887,953 34.674,954 41.808,955 211.88,956 79.606,957 121.735,959 0.574,960 0.342,961 0.184,962 0.095,963 19,964 7,965 0.063,966 3,967 1,968 1.095,969 3.92,970 202.21,971 0.095,972 21,973 105.342,979 15.915,980 7.116,981 3.444,982 2.059,983 62.943,984 15.767,985 4.288,986 3.053,989 2.776,991 34.674,992 413.221,993 38,998 12.469,1000 4.043,1002 0.108,1005 44.803,1006 50.524,1007 0.268,1008 0.615,1009 0.741,1010 0.862,1011 0.887,1012 0.887,1013 4.875,1014 1.205,1015 5.694,1016 3.319,1017 4.344,1018 4.931,1019 1.435,1020 6.472,1021 4.302,1022 6.061,1023 1,1024 7.229,1025 2.815,1026 3.761,1027 4.605,1028 0.325,1029 7.318,1030 3.705,1031 7.352,1032 1,1033 8.869,1034 2.275,1035 5.9,1036 7.139,1037 1.523,1038 10.419,1039 5.82,1040 8.684,1041 0.878,1042 10.574,1043 2.136,1044 6.217,1045 7.757,1046 0.653,1047 12.144,1048 6.126,1049 10.054,1050 0.709,1051 12.322,1052 2.07,1053 7.755,1054 9.684,1055 1.741,1056 14.73,1057 7.641,1058 11.452,1059 0.386,1060 14.099,1061 1.681,1062 8.489,1063 10.749,1064 1.001,1065 16.798,1066 8.363,1067 12.87,1068 -0.379,1069 15.896,1070 0.917,1071 9.775,1072 12.423,1073 1.993,1074 19.211,1075 9.629,1076 3.063,1077 -0.745,1078 17.709,1079 -0.904,1080 10.707,1081 13.707,1082 1.37,1083 21.419,1084 10.546,1085 2.973,1086 10.265,1087 19.533,1088 -1.61,1089 11.886,1090 15.272,1091 2.264,1092 23.769,1093 11.706,1094 2.514,1095 9.667,1096 21.366,1097 4.486,1098 12.91,1099 16.664,1100 1.754,1101 26.035,1102 12.714,1103 2.139,1104 7.116,1105 23.205,1106 3.811,1107 14.044,1108 18.183,1109 2.551,1110 28.361,1111 13.83,1112 1.972,1113 6.188,1114 25.05,1115 3.237,1116 15.112,1117 19.627,1118 2.143,1119 30.653,1120 14.88,1121 1.546,1122 5.877,1123 26.899,1124 2.815,1125 16.228,1126 21.129,1127 2.851,1128 32.971,1129 15.978,1130 1.497,1131 3.765,1132 28.751,1133 2.43,1134 17.316,1135 22.598,1136 2.535,1137 35.274,1138 17.048,1139 7883,1140 12265,1141 19.474,1142 30.569,1143 42.444,1144 42.775,1145 42.43,1146 41.793,1147 41.765,1148 55.734,1149 3.786,1150 116.181,1151 40.892,1152 5.533,1153 5.693,1154 6.328,1155 5.112,1156 5.063,1157 7.486,1158 2.293,1159 17.009,1160 5.005,1161 6.241,1162 1.516,1163 1.528,1164 1.515,1165 1.493,1166 1.492,1167 1.991,1168 0.135,1169 4.149,1170 1.46,1171 4.111,1172 4.149,1173 4.074,1174 4.016,1175 7.428,1176 4.024,1177 3.95,1178 3.984,1179 3.896,1180 3.874,1181 5.093,1182 3.874,1183 3.771,1184 3.838,1185 3.659,1186 3.58,1187 4.728,1188 3.591,1189 3.477,1190 3.528,1191 3.387,1192 3.366,1193 4.413,1194 3.364,1195 3.271,1196 3.323,1197 3.197,1198 3.072,1199 4.377,1200 3.094,1201 3.111,1202 3.206,1203 2.952,1204 2.941,1205 4.124,1206 2.91,1207 3.054,1208 3.126,1209 2.866,1210 2.832,1211 3.703,1212 2.852,1213 2.866,1214 2.931,1215 2.733,1216 2.735,1217 3.674,1218 2.725,1219 0.162,1220 0.132,1221 0.233,1222 0.144,1223 0.109,1224 4.533,1225 0.16,1226 3.693,1227 0.043,1228 6.526,1229 0.367,1230 4.045,1231 0.107,1232 3.063,1233 4.486,1234 1.2,1235 10.265,1236 3.005,1237 1.964,1238 1.942,1239 2.059,1240 2.053,1241 1.255,1242 2.054,1243 1.904,1244 1.881,1245 2.007,1246 1.994,1247 1.163,1248 2.001,1249 1.731,1250 1.66,1251 1.941,1252 1.932,1253 1.091,1254 1.942,1255 1.521,1256 1.47,1257 1.657,1258 1.742,1259 0.825,1260 1.712,1261 1.168,1262 1.118,1263 1.513,1264 1.432,1265 0.704,1266 1.429,1267 1.153,1268 1.064,1269 1.318,1270 1.376,1271 0.395,1272 1.402,1273 0.993,1274 0.934,1275 1.212,1276 1.262,1277 0.291,1278 1.255,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 4.043,1287 5.342,1288 2.398,1289 6.845,1290 4.727,1291 8.431,1292 6.823,1293 10.057,1301 3.274,1303 3.262,1307 1.901,1312 29.015,1313 66.256,1314 151.914,1315 183.133,1316 213.133,1317 219.133,1318 219.133,1319 33.477,1320 7.364,1321 61.02,1322 61.02,1323 23,1324 12.337,1325 4.248,1326 3.459,1327 36.262,1328 105,1329 88,1330 0.168,1331 177.871,1332 301.45,1333 425.764,1334 17016,1336 17.062,1337 0.682,1338 0.556,1339 17.062,1340 13.905,1341 12.31,1342 0.44,1343 0.304,1344 8.427,1345 11.939,1346 8.276,1347 6.842,1348 12.31,1349 8.524,1350 10.661,1351 0.281,1352 0.162,1353 10.661,1354 6.152,1355 9.456,1356 0.185,1357 0.088,1358 9.456,1359 4.495,1360 7.713,1361 0.121,1362 0.048,1363 7.713,1364 3.073,1365 6.066,1366 0.08,1367 0.027,1368 6.066,1369 2.055,1370 0.271,1371 76.418,1372 0.227,1373 24.812,1374 0.439,1375 132,1376 343.691,1377 141.458,1378 339.888,1379 473.47,1380 320,1381 155,1382 355.031,1383 165.624,1384 361.553,1385 527.98,1386 342,1387 6.509} {0 CHEMBL191003,1 2.109,2 11.074,3 2.35,4 5.521,5 95.039,6 10.113,7 0.586,8 3.831,9 3.929,10 3.765,11 3.35,12 5.175,13 3.377,14 4.294,15 4.403,16 4.067,17 3.692,18 5.973,19 3.726,20 4.516,21 4.664,22 4.096,23 3.74,24 6.069,25 3.787,26 4.554,27 4.712,28 4.082,29 3.625,30 6.416,31 3.691,32 4.417,33 4.611,34 3.837,35 3.475,36 5.937,37 3.54,38 4.269,39 4.458,40 3.821,41 3.419,42 5.905,43 3.466,44 4.198,45 4.384,46 3.609,47 3.348,48 5.662,49 3.355,50 4.157,51 4.363,52 3.564,53 3.28,54 5.69,55 3.266,56 0.28,57 0.806,58 5.893,59 3.296,60 51.983,61 2.568,62 0.606,63 1.202,64 9.485,65 5.675,66 100.388,67 5.195,68 0.899,69 1.4,70 14.956,71 6.625,72 134.378,73 5.539,74 1.301,75 1.388,76 16.792,77 6.27,78 212.248,79 5.613,80 0.974,81 1.096,82 15.43,83 4.543,84 144.126,85 4.411,86 0.731,87 1.1,88 12.195,89 4.218,90 95.054,91 4.437,92 0.721,93 0.9,94 10.559,95 3.884,96 97.31,97 3.563,98 0.71,99 0.783,100 13.325,101 4.612,102 102.648,103 5.149,104 51,105 43,106 0.369,107 0.67,108 0.765,109 0.826,110 0.826,111 0.826,112 3.34,113 0.913,114 -4.08,115 -4.02,116 -3.81,119 38.5,142 7,143 1,144 4,150 1,158 1,162 1,163 2,164 2,165 2,166 1,172 4,174 4,175 2,177 4,178 6,180 2,183 5,187 1,188 5,190 1,191 2,193 4,196 3,198 2,199 1,200 13,202 1,203 1,204 1,205 3,207 1,210 3,213 10,216 1,218 1,225 5,228 2,229 1,230 4,232 1,235 4,239 3,244 5,247 2,249 3,252 4,253 2,255 2,256 2,258 1,261 2,265 2,268 1,269 1,274 4,278 1064,279 17.264,280 17.264,281 17.264,282 17.264,283 17.264,284 14.707,285 22.758,286 9.764,287 17.762,288 14.26,289 14.26,290 14.26,291 14.26,292 14.26,293 10.359,294 34.444,295 4.596,296 15.122,297 3.177,298 1.459,299 0.914,300 0.564,301 0.564,302 0.564,303 4.01,307 1,308 1,309 626,310 3.742,313 80.447,314 194.893,321 1.786,322 59.349,325 1,326 0.83,327 1,328 0.4,330 0.83,331 0.5,332 0.65,333 63,334 299,335 4.801,336 4.661,337 7.111,338 4.229,339 3.314,340 4.66,341 0.98,342 11.657,343 3.096,344 4.565,345 3.763,346 6.848,347 4.176,348 3.212,349 4.238,350 0.4,351 11.222,352 3,353 4.236,354 3.119,355 6.215,356 3.78,357 2.849,358 3.902,360 9.139,361 2.643,362 3.893,363 2.854,364 5.523,365 3.469,366 2.508,367 3.43,369 7.426,370 2.41,371 3.462,372 2.592,373 5.069,374 3.004,375 2.045,376 2.762,378 5.962,379 1.95,380 3.232,381 2.528,382 4.841,383 2.787,384 1.879,385 2.481,387 5.104,388 1.678,389 3.146,390 1.973,391 4.713,392 2.687,393 1.723,394 2.355,396 4.781,397 1.654,398 2.962,399 1.607,400 4.534,401 2.477,402 1.512,403 2.127,405 4.416,406 1.451,407 2.706,408 1.356,409 4.028,410 2.232,411 1.258,412 1.776,414 3.163,415 1.219,416 2.5,417 1.238,418 3.51,419 2,420 1,421 1.5,423 2.275,424 1,425 2.269,426 1,427 3.414,428 1.726,429 0.737,430 1.066,432 1.888,433 0.715,434 1.314,435 0.848,436 3,437 0.959,438 0.029,439 0.035,441 0.078,442 0.027,443 1.171,444 0.474,445 2.634,446 0.74,447 -0.197,448 -0.249,450 -0.482,451 -0.175,452 1,453 0.159,454 2.567,455 0.557,456 -0.347,457 -0.445,459 -0.757,460 -0.303,461 1,462 -0.098,463 2.352,464 0.306,465 -0.62,466 -0.756,468 -1.495,469 -0.569,470 12.305,471 0.456,472 1.008,473 0.037,474 39.25,475 1.454,476 21.5,477 0.796,478 17.75,479 0.657,480 17.715,481 0.656,482 29.695,483 0.761,484 32.922,485 1.219,486 7.94,487 0.294,488 4.724,489 0.175,490 0.193,491 0.068,492 0.358,495 2,497 0.646,498 1.041,499 0.758,500 1.125,501 0.716,502 0.77,503 0.55,504 0.967,505 0.806,506 1.087,507 0.56,508 0.952,509 1.151,510 1.192,511 1.03,512 1.073,513 1.067,514 1.004,515 0.97,516 1.045,517 0.992,518 1.045,519 0.945,520 1.083,521 1.17,522 0.934,523 0.86,524 0.672,525 1.132,526 0.816,527 0.766,528 0.941,529 0.83,530 0.838,531 0.672,532 0.904,533 1.116,534 0.933,535 1.133,536 0.961,537 1.064,538 1.184,539 0.797,540 0.728,541 0.836,542 0.784,543 0.845,544 0.929,545 7.5,546 0.132,547 3.778,548 3.007,549 1.526,550 1.091,551 0.719,552 0.371,553 0.314,554 0.29,555 8604,556 38044,557 1.963,558 30.8,560 7,563 5,568 1.698,569 1.77,570 3.394,571 2.694,572 1,573 1,578 82.243,579 2.109,580 3.826,581 4.371,582 4.721,583 4.721,584 4.721,585 2.908,586 3.912,587 4.727,588 3.624,589 1272.16,590 8.189,591 16517.3,593 1,595 1,596 206.131,597 1.74,598 4.637,599 0.259,600 0.007,601 0.088,602 0.07,603 0.038,604 0.033,605 0.022,606 0.015,607 0.014,608 0.013,609 0.558,610 0.17,611 1,612 0.857,613 134.659,614 -0.067,615 -0.029,616 0.128,617 -0.004,618 -0.17,619 0.103,620 0.175,621 0.01,622 -0.017,623 -0.092,624 0.151,625 -0.076,626 -0.226,627 -0.193,628 -0.149,629 -0.116,630 -0.153,631 -0.082,632 0.123,633 -0.021,634 -0.098,635 -0.148,636 0.153,637 -0.18,638 -0.225,639 -0.076,640 -0.033,641 0.101,642 -0.212,643 0.111,644 0.086,645 0.032,646 0.019,647 -0.001,648 0.097,649 0.007,650 -0.223,651 0.053,652 -0.273,653 -0.09,654 -0.22,655 -0.258,656 0.068,657 0.079,658 0.157,659 0.131,660 0.001,661 0.144,662 4.761,663 5.768,664 0.63,665 24.735,666 1.057,667 1.151,668 2.847,669 8.105,670 0.691,671 3.401,672 3.784,673 4.007,674 4.234,675 4.344,676 4.419,677 4.466,678 4.533,679 4.575,680 4.727,681 6.705,682 0.701,683 394.4,684 3.401,685 4.977,686 5.826,687 6.725,688 7.589,689 8.488,690 9.358,691 10.256,692 11.129,693 12.027,694 15.4,698 2,702 2,704 2,709 7,710 2,714 7,715 1,716 17,727 1,728 1,734 2,735 39,737 20,738 2,739 29,741 41,742 15,743 14,744 5,745 7,746 1,748 3,749 3,762 15,767 3,770 1,772 3,776 1,780 1,781 2,783 12,784 10,785 5,786 12,787 1,792 6,796 1,797 3,814 1,815 2,842 3,844 1,848 2,850 27,851 2,854 1,858 1,869 1,871 2,872 7.7,875 3,879 15.25,880 6.802,881 5.722,882 1.896,884 3.242,885 1.451,886 1.017,887 4.934,888 10.433,889 3.726,890 4.41,891 4.926,892 5.471,893 5.867,894 6.108,895 6.397,896 6.7,897 7.025,898 7.468,899 1,900 43,901 10.298,903 4.93,904 8.602,905 17.526,907 14.26,909 3.102,910 83.75,914 82.398,915 106.379,916 117.424,918 69.458,919 29.92,920 5.807,921 100.572,922 151.856,923 147.345,926 136.33,927 107.611,928 47.422,929 31.819,930 82.398,932 82.398,933 217.996,934 99.378,935 5.807,937 112.318,938 69.458,941 23.586,942 160.962,943 39.256,945 112.318,946 186.882,947 106.379,949 5.807,950 82.398,951 34.238,952 68.11,953 18.011,954 197.015,955 82.398,956 216.803,957 106.379,959 0.605,960 0.346,961 0.175,962 0.083,963 21,964 11,965 0.098,966 4,968 1,969 3.742,970 227.134,972 17,973 116.382,978 1,979 18.92,980 7.042,981 3.955,983 215.026,984 8.232,985 7.571,989 -3.225,990 0.544,991 82.199,992 405.579,993 40.5,996 -3.844,998 34.78,1002 -1.131,1005 41.229,1006 44.878,1007 0.399,1008 0.724,1009 0.827,1010 0.893,1011 0.893,1012 0.893,1013 4.985,1014 1.512,1015 5.883,1016 4.781,1017 4.466,1018 5.097,1019 1.176,1020 6.758,1021 4.351,1022 6.266,1023 1.258,1024 7.501,1025 4.416,1026 4.369,1027 5.263,1029 7.96,1030 4.154,1031 7.637,1032 1,1033 9.226,1034 3.163,1035 6.18,1036 7.447,1037 1.063,1038 10.982,1039 5.935,1040 9.046,1041 0.737,1042 11.013,1043 2.275,1044 6.836,1045 8.377,1047 12.954,1048 6.486,1049 10.487,1050 0.029,1051 12.841,1052 1.888,1053 8.219,1054 10.121,1055 1.022,1056 15.575,1057 7.835,1058 11.95,1059 -0.197,1060 14.697,1061 0.078,1062 9.182,1063 11.373,1065 17.833,1066 8.699,1067 13.43,1068 -0.347,1069 16.572,1070 -0.482,1071 10.422,1072 12.963,1073 0.993,1074 20.329,1075 9.894,1076 3.314,1077 -0.62,1078 18.463,1079 -0.757,1080 11.509,1081 14.354,1083 22.694,1084 10.893,1085 3.212,1086 11.657,1087 20.365,1088 -1.495,1089 12.702,1090 15.889,1091 0.967,1092 25.15,1093 12.031,1094 2.849,1095 11.222,1096 22.276,1097 4.66,1098 13.84,1099 17.344,1101 27.558,1102 13.09,1103 2.508,1104 9.139,1105 24.194,1106 4.238,1107 15.019,1108 18.861,1109 0.942,1110 30.002,1111 14.207,1112 2.045,1113 7.426,1114 26.117,1115 3.902,1116 16.179,1117 20.347,1119 32.428,1120 15.294,1121 1.879,1122 5.962,1123 28.045,1124 3.43,1125 17.356,1126 21.861,1127 0.917,1128 34.868,1129 16.406,1130 1.723,1131 5.104,1132 29.976,1133 2.762,1134 18.527,1135 23.363,1137 37.303,1138 17.506,1139 8515,1140 18059,1141 18.205,1142 26.966,1143 44.817,1144 47.088,1145 46.439,1146 44.294,1147 44.134,1148 60.668,1149 2.76,1150 134.225,1151 41.689,1152 5.592,1153 6.661,1154 6.657,1155 5.296,1156 5.314,1157 7.66,1158 1.96,1159 19.075,1160 5.096,1161 17.754,1162 1.545,1163 1.624,1164 1.601,1165 1.527,1166 1.522,1167 2.092,1168 0.095,1169 4.628,1170 1.438,1171 4.076,1172 4.088,1173 4.728,1174 4.051,1175 8.211,1176 3.969,1177 3.986,1178 3.998,1179 3.996,1180 3.861,1181 8.191,1182 3.874,1183 3.815,1184 3.861,1185 3.811,1186 3.608,1187 7.726,1188 3.623,1189 3.617,1190 3.618,1191 3.669,1192 3.479,1193 7.428,1194 3.448,1195 3.145,1196 3.17,1197 3.103,1198 2.944,1199 6.999,1200 2.973,1201 2.956,1202 3.076,1203 2.913,1204 2.735,1205 5.23,1206 2.753,1207 2.937,1208 2.985,1209 2.831,1210 2.73,1211 4.835,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.658,1217 4.741,1218 2.681,1219 0.166,1220 0.161,1221 0.245,1222 0.146,1223 0.114,1224 4.801,1225 0.161,1226 4.661,1227 0.034,1228 7.111,1229 0.402,1230 4.229,1231 0.107,1232 3.314,1233 4.66,1234 0.98,1235 11.657,1236 3.096,1237 1.954,1238 1.96,1239 1.983,1240 2.031,1241 1.15,1242 2.063,1243 1.888,1244 1.87,1245 1.959,1246 2.01,1247 1.047,1248 1.989,1249 1.486,1250 1.504,1251 1.514,1252 1.737,1253 0.549,1254 1.716,1255 1.423,1256 1.361,1257 1.374,1258 1.698,1259 0.432,1260 1.681,1261 1.21,1262 1.151,1263 1.232,1264 1.497,1265 0.218,1266 1.464,1267 0.916,1268 0.859,1269 1.181,1270 1.212,1271 0.169,1272 1.188,1273 0.886,1274 0.821,1275 1.118,1276 1.074,1277 0.072,1278 1.107,1279 0.832,1280 0.787,1281 1.035,1282 1.062,1283 0.039,1284 1.047,1285 4.078,1287 5.442,1288 2.398,1289 6.984,1290 4.727,1291 8.603,1292 6.804,1293 10.261,1297 27.536,1299 10.606,1303 2.681,1312 27.334,1313 82.243,1314 149.218,1315 170.479,1316 184.131,1317 184.131,1318 184.131,1319 82.645,1320 7.191,1321 145.99,1322 154.37,1323 17,1324 12.555,1325 4.392,1326 3.644,1327 47.186,1328 110,1329 95,1330 0.214,1331 172.411,1332 297.54,1333 412.442,1334 12325,1335 5.1,1336 19.767,1337 0.732,1338 0.528,1339 18.277,1340 14.243,1341 12.664,1342 0.437,1343 0.304,1344 7.236,1345 11.164,1346 7.038,1347 5.806,1348 12.737,1349 8.824,1350 12.62,1351 0.293,1352 0.16,1353 12.942,1354 6.863,1355 9.695,1356 0.18,1357 0.081,1358 9.605,1359 4.369,1360 8.104,1361 0.119,1362 0.04,1363 7.601,1364 2.707,1365 5.499,1366 0.072,1367 0.021,1368 5.571,1369 1.628,1370 0.338,1371 90.536,1372 0.234,1373 26.005,1374 0.578,1375 144,1376 652.182,1377 202.686,1378 596.361,1379 775.71,1380 542,1381 169,1382 532.417,1383 233.021,1384 556.741,1385 810.21,1386 519,1387 5.284} {0 CHEMBL1929238,1 1.747,2 13.083,3 4.215,4 17.768,5 145.678,6 8.038,7 0.289,8 4.306,9 4.432,10 3.955,11 3.84,12 5.368,13 3.787,14 4.878,15 5.079,16 4.388,17 4.26,18 5.91,19 4.181,20 5.157,21 5.342,22 4.612,23 4.5,24 6.242,25 4.383,26 5.366,27 5.607,28 4.497,29 4.495,30 6.402,31 4.349,32 5.216,33 5.454,34 4.408,35 4.347,36 6.321,37 4.252,38 5.117,39 5.31,40 4.47,41 4.368,42 6.411,43 4.278,44 5.258,45 5.476,46 4.478,47 4.446,48 6.359,49 4.327,50 5.245,51 5.465,52 4.45,53 4.444,54 6.325,55 4.315,56 0.059,57 1.013,58 14.18,59 6.381,60 9.28,61 8.399,62 0.519,63 1.615,64 31.551,65 10.671,66 36.135,67 14.564,68 0.545,69 2.022,70 48.31,71 15.67,72 57.618,73 19.791,74 0.93,75 2.186,76 70.352,77 19.818,78 109.104,79 25.137,80 0.875,81 1.915,82 51.753,83 14.837,84 102.195,85 19.716,86 0.895,87 1.922,88 44.427,89 13.781,90 125.689,91 17.56,92 0.875,93 2.059,94 57.972,95 16.549,96 116.708,97 20.308,98 0.856,99 1.988,100 52.55,101 16.046,102 108.245,103 20.557,104 107,105 55,106 0.277,107 0.56,108 0.732,109 0.802,110 0.823,111 0.823,112 3.616,113 1.051,114 -4.11,115 -4.05,116 -3.84,119 36.2,120 3,121 1,123 1,124 2,125 5,142 4,143 1,144 3,152 1,153 1,158 2,159 1,172 6,174 2,175 5,178 2,179 1,180 3,183 9,187 2,188 2,193 3,196 11,199 1,200 6,203 2,205 6,208 6,212 2,213 7,218 6,221 1,224 4,225 11,228 2,230 4,233 3,239 5,242 1,244 3,247 6,252 1,253 6,256 1,258 1,261 10,265 1,266 9,269 1,274 7,278 2752,279 22.902,280 22.902,281 22.902,282 22.902,283 22.902,284 21.138,285 34.116,286 13.125,287 23.659,288 18.675,289 18.675,290 18.675,291 18.675,292 18.675,293 15.816,294 44.007,295 6.217,296 20.017,297 4.361,298 2.572,299 1.489,300 1.048,301 0.91,302 0.91,303 4.287,304 2,308 1,309 971,310 4.848,313 114.604,314 134.951,315 142.79,321 1.991,322 45.523,325 0.75,326 0.83,327 0.83,328 0.9,329 1,330 0.83,331 1,332 0.88,333 78.167,334 471,335 4.583,336 3.767,337 7.14,338 4.336,339 3.37,340 4.174,341 1.94,342 11.845,343 3.263,344 4.328,345 3.696,346 6.599,347 4.004,348 3.031,349 3.985,350 1.656,351 10.374,352 2.945,353 4.198,354 3.577,355 6.347,356 3.868,357 2.961,358 3.386,359 1.2,360 9.465,361 2.677,362 3.958,363 3.522,364 6.031,365 3.748,366 2.79,367 3.117,368 0.8,369 8.593,370 2.645,371 3.728,372 3.357,373 5.749,374 3.416,375 2.488,376 2.926,377 0.555,378 7.765,379 2.284,380 3.51,381 2.647,382 5.218,383 3.164,384 2.229,385 2.698,386 0.293,387 6.378,388 2.06,389 3.21,390 2.605,391 4.831,392 3.094,393 2.173,394 2.374,395 0.247,396 5.205,397 1.997,398 3.177,399 2.394,400 4.663,401 2.733,402 1.809,403 2.213,405 5.15,406 1.597,407 2.866,408 2.317,409 4.58,410 2.564,411 1.583,412 2.028,414 4.455,415 1.54,416 2.781,417 2.169,418 4.37,419 2.426,420 1.496,421 1.8,423 3.967,424 1.362,425 2.707,426 1.825,427 4.218,428 2.359,429 1.414,430 1.694,432 3.852,433 1.283,434 2.658,435 1.492,436 3.866,437 2.243,438 1.301,439 1.682,441 3.179,442 1.203,443 2.204,444 1.191,445 3.61,446 1.745,447 0.784,448 0.968,450 1.91,451 0.747,452 1.825,453 1.174,454 3.14,455 1.635,456 0.656,457 0.768,459 1.599,460 0.624,461 1.54,462 1.168,463 3.038,464 1.126,465 0.361,466 0.403,468 0.847,469 0.225,470 17.762,471 0.493,472 1.31,473 0.036,474 39,475 1.083,476 15.5,477 0.431,478 23.5,479 0.653,480 44.047,481 1.224,482 41.038,483 0.595,484 33.657,485 0.935,486 7.355,487 0.204,488 9.507,489 0.264,490 0.277,491 0.028,492 0.321,497 0.684,498 1.553,499 0.652,500 1.038,501 0.544,502 1.014,503 0.672,504 0.93,505 0.644,506 0.704,507 0.48,508 0.739,509 0.938,510 1.215,511 0.916,512 1.113,513 0.898,514 1.122,515 0.977,516 1.124,517 1.029,518 1.199,519 1.175,520 0.994,521 1.117,522 0.981,523 0.762,524 0.827,525 1.253,526 0.827,527 0.926,528 1.119,529 0.914,530 1.098,531 0.865,532 1.04,533 1.435,534 0.995,535 0.927,536 0.942,537 1.628,538 0.923,539 1.25,540 0.977,541 0.808,542 0.876,543 1.446,544 1.002,545 10,546 0.33,547 5.333,548 2.938,549 2.608,550 1.678,551 1.098,552 0.76,553 0.631,554 0.667,555 17684,556 53119,557 1.925,558 47.8,559 9,560 20,563 2,564 2,568 1.779,569 1.735,570 3.628,571 0.231,578 120.562,579 1.747,580 3.536,581 4.619,582 5.061,583 5.198,584 5.198,585 3.093,586 4.927,587 5.137,588 3.851,589 2425.87,590 9.06,591 38885.2,596 421.488,597 1.716,598 5.05,599 0.263,600 0.007,601 0.097,602 0.05,603 0.048,604 0.031,605 0.02,606 0.014,607 0.013,608 0.013,609 0.556,610 0.33,611 0.88,612 1.176,613 196.258,614 -0.041,615 -0.262,616 0.032,617 -0.046,618 -0.039,619 -0.022,620 0.118,621 0.248,622 0.152,623 0.25,624 0.107,625 0.22,626 -0.031,627 -0.079,628 0.011,629 -0.078,630 -0.04,631 -0.136,632 0.04,633 -0.142,634 0.005,635 -0.104,636 -0.036,637 0.008,638 0.006,639 0.005,640 0.079,641 0.08,642 -0.012,643 0.113,644 0.158,645 0.029,646 -0.048,647 -0.093,648 0.271,649 -0.101,650 -0.225,651 0.053,652 -0.026,653 0.082,654 -0.182,655 0.025,656 -0.145,657 0.049,658 -0.002,659 0.059,660 -0.159,661 -0.055,662 2.198,663 6.616,664 0.5,665 43.327,666 1.007,667 1.133,668 2.877,669 8.275,670 0.669,671 3.664,672 4.025,673 4.22,674 4.407,675 4.615,676 4.779,677 4.771,678 4.844,679 4.942,680 5.088,681 7.815,682 0.623,683 554.6,684 3.664,685 5.231,686 6.066,687 6.95,688 7.809,689 8.695,690 9.565,691 10.453,692 11.329,693 12.219,694 7.2,697 1,701 4,709 4,713 1,714 6,716 11,724 1,734 2,735 69,737 14,738 1,739 38,741 71,742 25,743 10,744 3,745 3,746 1,748 3,749 3,750 2,753 1,754 3,755 1,757 1,760 1,762 13,763 12,767 3,772 3,776 3,783 33,784 8,785 2,786 11,787 3,792 5,796 1,797 3,814 1,815 1,816 1,829 1,838 1,842 3,844 1,846 5,847 2,850 36,856 6,858 2,862 3,863 1,867 1,871 2,872 4.3,875 3,879 20.75,880 13.886,881 7.75,882 4.023,884 2.069,885 1.269,886 0.935,887 9.94,888 9.773,889 3.861,890 4.404,891 4.849,892 5.305,893 5.674,894 5.919,895 5.941,896 6.089,897 6.314,898 6.642,899 0.889,900 59,901 13.44,903 5.697,904 7.87,905 25.374,907 20.542,909 2.37,910 85.306,914 364.904,915 154.431,916 45.394,917 78.297,918 75.435,920 31.278,921 123.153,922 518.636,923 45.394,924 43.268,925 55.333,926 37.905,927 84.844,928 16.997,929 5.634,930 396.182,931 78.297,932 364.904,933 168.547,934 75.435,935 109.575,937 364.904,938 75.435,941 85.863,942 82.685,943 78.297,944 31.278,945 364.904,946 120.829,947 232.728,950 364.904,951 73.257,952 90.546,953 36.022,954 153.732,955 364.904,956 120.829,957 232.728,959 0.598,960 0.33,961 0.157,962 0.089,963 24,964 14,965 0.099,966 7,968 1,969 4.371,970 336.313,972 18,973 179.362,975 1,979 29.017,980 12.332,981 7.733,983 120.829,984 6.799,988 1.361,989 2.741,991 36.022,992 718.461,993 46.5,998 39.032,1002 -0.694,1005 69.469,1006 78.156,1007 0.286,1008 0.579,1009 0.756,1010 0.828,1011 0.851,1012 0.851,1013 5.146,1014 1.809,1015 6.111,1016 5.205,1017 4.71,1018 5.091,1019 2.793,1020 6.956,1021 4.58,1022 6.365,1023 1.583,1024 7.712,1025 5.15,1026 4.575,1027 5.075,1028 2.125,1029 8.085,1030 4.396,1031 7.689,1032 1.496,1033 9.418,1034 4.455,1035 6.389,1036 7.193,1037 3.515,1038 11.095,1039 6.161,1040 9.043,1041 1.414,1042 11.186,1043 3.967,1044 7.004,1045 7.939,1046 3.506,1047 13.002,1048 6.738,1049 10.428,1050 1.301,1051 12.992,1052 3.852,1053 8.379,1054 9.624,1055 4.52,1056 15.608,1057 8.074,1058 11.833,1059 0.784,1060 14.826,1061 3.179,1062 9.306,1063 10.709,1064 4.826,1065 17.819,1066 8.97,1067 13.255,1068 0.656,1069 16.68,1070 1.91,1071 10.535,1072 12.234,1073 5.658,1074 20.302,1075 10.165,1076 3.37,1077 0.361,1078 18.549,1079 1.599,1080 11.598,1081 13.481,1082 6.127,1083 22.642,1084 11.199,1085 3.031,1086 11.845,1087 20.432,1088 0.847,1089 12.78,1090 14.94,1091 6.869,1092 25.09,1093 12.353,1094 2.961,1095 10.374,1096 22.324,1097 4.174,1098 13.903,1099 16.266,1100 7.424,1101 27.488,1102 13.449,1103 2.79,1104 9.465,1105 24.224,1106 3.985,1107 15.075,1108 17.698,1109 8.121,1110 29.93,1111 14.594,1112 2.488,1113 8.593,1114 26.132,1115 3.386,1116 16.228,1117 19.064,1118 8.722,1119 32.356,1120 15.721,1121 2.229,1122 7.765,1123 28.045,1124 3.117,1125 17.402,1126 20.485,1127 9.397,1128 34.802,1129 16.869,1130 2.173,1131 6.378,1132 29.964,1133 2.926,1134 18.572,1135 21.873,1136 10.024,1137 37.244,1138 18.012,1139 17665,1140 30974,1141 23.581,1142 46.176,1143 58.151,1144 61.332,1145 59.962,1146 57.263,1147 57.101,1148 68.675,1149 13.384,1150 169.647,1151 53.113,1152 5.541,1153 5.767,1154 6.677,1155 5.478,1156 5.37,1157 7.174,1158 3.348,1159 19.122,1160 5.263,1161 25.793,1162 1.53,1163 1.614,1164 1.578,1165 1.507,1166 1.503,1167 1.807,1168 0.352,1169 4.464,1170 1.398,1171 4.013,1172 4.036,1173 4.275,1174 3.997,1175 7.434,1176 3.943,1177 3.902,1178 3.922,1179 4.117,1180 3.856,1181 7.427,1182 3.844,1183 3.839,1184 3.89,1185 3.776,1186 3.654,1187 7.425,1188 3.667,1189 3.649,1190 3.729,1191 3.522,1192 3.475,1193 5.042,1194 3.469,1195 3.576,1196 3.636,1197 3.494,1198 3.392,1199 4.636,1200 3.39,1201 3.401,1202 3.444,1203 3.423,1204 3.121,1205 4.493,1206 3.166,1207 3.292,1208 3.376,1209 3.346,1210 3.102,1211 4.353,1212 3.096,1213 3.266,1214 3.322,1215 3.297,1216 3.04,1217 4.301,1218 3.048,1219 0.121,1220 0.099,1221 0.188,1222 0.114,1223 0.089,1224 4.583,1225 0.11,1226 3.767,1227 0.051,1228 7.14,1229 0.312,1230 4.336,1231 0.086,1232 3.37,1233 4.174,1234 1.94,1235 11.845,1236 3.263,1237 1.875,1238 1.858,1239 1.984,1240 1.967,1241 1.227,1242 1.967,1243 1.791,1244 1.754,1245 1.934,1246 1.95,1247 1.205,1248 1.949,1249 1.706,1250 1.647,1251 1.926,1252 1.919,1253 1.152,1254 1.941,1255 1.684,1256 1.637,1257 1.86,1258 1.876,1259 1.056,1260 1.881,1261 1.514,1262 1.457,1263 1.766,1264 1.767,1265 0.984,1266 1.77,1267 1.467,1268 1.401,1269 1.589,1270 1.682,1271 0.748,1272 1.662,1273 1.244,1274 1.204,1275 1.51,1276 1.473,1277 0.697,1278 1.462,1279 1.132,1280 1.036,1281 1.417,1282 1.374,1283 0.469,1284 1.42,1285 4.344,1287 5.694,1288 2.398,1289 7.203,1290 4.844,1291 8.785,1292 7.034,1293 10.409,1295 10.084,1296 12.251,1301 2.901,1303 5.518,1307 5.53,1308 -0.218,1312 42.995,1313 120.562,1314 243.987,1315 318.72,1316 349.184,1317 358.694,1318 358.694,1319 116.769,1320 7.704,1321 84.99,1322 113.23,1323 18,1324 12.751,1325 3.907,1326 3.248,1327 73.444,1328 162,1329 186,1330 0.212,1331 278.737,1332 491.36,1333 671.877,1334 24100,1335 2.9,1336 26.621,1337 0.739,1338 0.656,1339 27.974,1340 23.611,1341 16.862,1342 0.444,1343 0.35,1344 11.705,1345 15.233,1346 11.065,1347 9.242,1348 17.848,1349 13.319,1350 16.545,1351 0.301,1352 0.215,1353 17.875,1354 11.848,1355 12.499,1356 0.187,1357 0.121,1358 14.428,1359 8.116,1360 9.356,1361 0.116,1362 0.063,1363 10.766,1364 5.117,1365 7.366,1366 0.074,1367 0.035,1368 8.532,1369 3.524,1370 0.333,1371 116.086,1372 0.206,1373 32.878,1374 0.583,1375 186,1376 564.075,1377 260.379,1378 622.013,1379 807.8,1380 574,1381 215,1382 512.927,1383 286.92,1384 557.899,1385 813.78,1386 518,1387 4.495} {0 CHEMBL1949855,1 1.875,2 4.333,3 1.447,4 2.093,5 45.09,6 10.624,7 0.462,8 3,9 3.087,10 2.856,11 2.636,12 4.293,13 2.646,14 3.432,15 3.538,16 3.239,17 2.996,18 4.79,19 2.985,20 3.622,21 3.755,22 3.35,23 3.038,24 5.02,25 3.018,26 3.43,27 3.567,28 3.092,29 2.741,30 4.933,31 2.705,32 3.041,33 3.205,34 2.586,35 2.177,36 4.586,37 2.099,38 2.305,39 2.596,40 0.549,41 1.241,42 3.162,43 0.983,44 1.02,45 1.365,46 0.014,47 0.255,48 1.099,49 0.13,56 0.072,57 0.249,58 1.109,59 1.153,60 5.778,61 1.072,62 0.157,63 0.379,64 2.156,65 1.89,66 11.181,67 1.855,68 0.231,69 0.402,70 6.556,71 2.778,72 25.073,73 2.795,74 0.248,75 0.313,76 5.511,77 2.243,78 29.833,79 1.922,80 0.239,81 0.183,82 7.012,83 1.729,84 25.568,85 1.546,86 0.098,87 0.084,88 4.438,89 1.04,90 12.489,91 1.248,92 0.018,93 0.017,94 1.281,95 0.281,96 2.572,97 0.461,104 5,105 18,106 0.415,107 0.738,108 0.842,109 0.904,110 0.904,111 0.904,112 2.603,113 0.874,114 -3.33,115 -3.32,116 -3.18,119 47.1,142 3,143 1,144 2,158 2,172 3,175 2,178 2,180 1,183 3,188 4,193 1,196 3,199 1,200 2,205 1,208 1,213 2,218 2,278 88,279 8.052,280 8.052,281 8.052,282 8.052,283 8.052,284 6.974,285 8.922,286 4.729,287 8.266,288 6.389,289 6.389,290 6.389,291 6.389,292 6.389,293 4.751,294 9.996,295 2.195,296 6.76,297 2.212,298 0.75,299 0.28,303 3.233,304 1,308 1,309 108,310 1.414,314 44.768,318 38.619,321 0.667,322 13.667,325 1,326 0.67,327 0.83,328 0.4,330 1,331 1,332 0.7,333 26.333,334 52,335 4.462,336 3.631,337 6.633,338 4.067,339 3.097,340 4.129,341 1.11,342 10.535,343 3.003,344 3.654,345 3.112,346 5.532,347 3.246,348 2.303,349 2.955,350 0.779,351 6.876,352 2.119,353 3.117,354 2.228,355 4.329,356 2.573,357 1.618,358 2.289,360 3.829,361 1.544,362 2.811,363 1.93,364 4.074,365 2.359,366 1.414,367 1.86,369 3.747,370 1.298,371 2.666,372 1.39,373 3.421,374 2.056,375 1.117,376 1.622,378 2.399,379 1.013,380 1.345,381 0.894,382 2.454,383 0.927,389 0.964,390 0.293,391 2.281,392 0.408,393 -0.509,394 -0.697,396 -1.123,397 -0.407,398 0.819,399 -0.4,400 2.252,401 0.336,402 -0.618,403 -0.837,405 -1.594,406 -0.594,407 -0.01,408 -0.666,409 1.574,410 -0.361,411 -1.303,412 -1.722,414 -3.216,415 -1.076,416 -0.115,417 -1.129,418 1.286,419 -0.545,420 -1.414,421 -1.844,423 -3.633,424 -1.368,425 -0.391,426 -1.465,427 1.222,428 -0.794,429 -1.704,430 -2.255,432 -4.993,433 -1.656,434 -0.5,435 -1.757,436 0.476,437 -1,438 -2,439 -2.501,440 -0.779,441 -5.813,442 -1.878,443 -0.824,444 -2,445 0.467,446 -1.072,447 -2,448 -3,449 -1.11,450 -7.016,451 -2,470 5.848,471 0.487,472 0.298,473 0.025,474 17.5,475 1.458,476 9.5,477 0.792,478 8,479 0.667,480 5.903,481 0.492,482 12.152,483 0.715,484 9.454,485 0.788,486 3.568,487 0.297,488 2.22,489 0.185,490 0.179,492 0.342,497 0.68,498 1.177,499 0.479,500 0.725,501 0.553,502 0.676,503 0.609,504 0.918,505 0.608,506 0.752,507 0.614,508 0.81,509 0.988,510 1.131,511 0.907,512 1.028,513 0.989,514 0.944,515 1.465,516 1.055,517 1.243,518 1.003,519 1.508,520 1.075,521 1.245,522 0.952,523 1.8,524 1.65,525 1.286,526 1.543,527 1.24,528 0.561,529 1.507,530 1.128,531 1.263,532 1.363,545 2,547 1.778,548 1,549 0.667,550 0.125,555 747,556 3136,557 2.04,558 29.4,560 3,562 1,563 1,568 1.465,569 1.895,570 2.281,571 -0.083,578 31.877,579 1.875,580 3.337,581 3.808,582 4.087,583 4.087,584 4.087,585 1.459,586 2.252,587 3.567,588 2.213,589 146.078,590 5.893,591 1037.22,593 1,596 69.487,597 1.459,598 3.507,599 0.154,601 0.099,602 0.056,603 0.056,604 0.025,609 0.389,610 1,611 1,612 0.73,613 40.393,614 -0.108,615 -0.118,616 -0.01,617 0.01,618 -0.077,619 0.03,620 0.076,621 0.135,622 -0.017,623 0.034,624 -0.008,625 -0.054,626 -0.074,627 -0.215,628 0.015,629 -0.099,630 -0.051,631 -0.017,632 -0.269,633 -0.133,634 -0.164,635 -0.029,636 -0.192,637 -0.159,638 0.084,639 -0.118,640 -0.3,641 -0.556,642 0.036,643 -0.476,644 -0.2,645 0.176,646 -0.141,647 0.157,648 -0.203,649 0.17,650 0.685,651 0.64,652 1.371,653 1.554,654 0.61,655 2.176,662 1.831,663 4.177,664 0.833,665 4,666 1.037,667 1.116,668 2.103,669 4.423,670 0.756,671 2.639,672 2.944,673 3.219,674 3.434,675 3.584,676 3.367,677 3.296,678 3.045,679 2.944,680 1.946,681 2.923,682 0.743,683 180.6,684 2.639,685 4.143,686 4.99,687 5.861,688 6.725,689 7.598,690 8.467,691 9.34,692 10.21,693 11.082,694 11.8,701 1,703 1,709 3,714 3,716 6,723 1,734 1,735 17,737 8,738 1,739 13,741 18,742 8,743 6,744 3,745 3,746 2,748 2,749 3,750 1,762 8,767 2,772 1,774 1,775 1,776 1,783 5,784 3,785 1,786 4,787 1,792 2,793 1,796 0.5,797 1,815 2,819 1,842 1,847 1,850 12,858 1,871 1,872 5.9,875 1,879 6.333,880 3.093,881 2.667,882 0.916,884 1.782,885 1.327,886 0.997,887 1.679,888 7.229,889 2.944,890 3.512,891 4.09,892 4.643,893 5.109,894 5.134,895 5.346,896 5.317,897 5.535,898 4.849,899 0.667,900 18,901 4.377,902 0.006,903 1.863,904 8.106,905 8.008,906 0.002,907 6.363,908 -0.002,909 2.606,910 31.278,911 0.006,914 47.084,915 51.195,916 34.796,917 39.149,918 25.145,921 51.195,922 111.378,923 34.796,925 18.011,926 28.429,927 50.239,928 26.228,930 35.313,931 39.149,932 47.084,933 85.991,934 25.145,935 39.149,937 47.084,938 25.145,941 34.796,942 51.195,943 39.149,945 47.084,946 59.941,947 90.344,950 47.084,951 14.148,952 37.047,953 18.011,954 81.079,955 47.084,956 59.941,957 90.344,959 0.582,960 0.355,961 0.192,962 0.097,963 10,964 4,967 1,968 1.2,969 2.366,970 72.065,971 0.2,972 10,973 43.02,979 7.466,980 2.699,981 1.168,983 59.941,984 5.116,989 1.562,991 18.011,992 197.369,993 18,998 11.177,1000 1.344,1001 3.954,1002 -0.164,1005 17.622,1006 18.98,1007 0.459,1008 0.816,1009 0.932,1010 1,1011 1,1012 1,1013 4.151,1014 -0.618,1015 4.977,1016 -1.123,1017 3.611,1018 4.19,1019 1.543,1020 5.796,1021 3.509,1022 5.362,1023 -1.303,1024 6.547,1025 -1.594,1026 3.219,1027 3.98,1029 6.763,1030 3.058,1031 6.67,1032 -1.414,1033 8.226,1034 -3.216,1035 5.198,1036 6.365,1037 1.564,1038 9.877,1039 5.031,1040 8.017,1041 -1.704,1042 9.969,1043 -3.633,1044 5.638,1045 6.991,1047 11.687,1048 5.428,1049 9.397,1050 -2,1051 11.753,1052 -4.993,1053 7.111,1054 8.853,1055 1.647,1056 14.32,1057 6.889,1058 10.803,1059 -2,1060 13.564,1061 -5.813,1062 7.938,1063 9.886,1065 16.455,1066 7.683,1067 12.228,1069 15.394,1070 -7.016,1071 9.202,1072 11.515,1073 1.773,1074 18.918,1075 8.93,1076 3.097,1078 17.237,1080 10.201,1081 12.744,1083 21.182,1084 9.898,1085 2.303,1086 10.535,1087 19.091,1089 11.382,1090 14.265,1091 1.924,1092 23.581,1093 11.057,1094 1.618,1095 6.876,1096 20.953,1097 4.129,1098 12.454,1099 15.59,1101 25.897,1102 12.101,1103 1.414,1104 3.829,1105 22.821,1106 2.955,1107 13.603,1108 17.059,1109 2.093,1110 28.27,1111 13.224,1112 1.117,1113 3.747,1114 24.693,1115 2.289,1116 14.708,1117 18.43,1119 30.609,1120 14.3,1122 2.399,1123 26.568,1124 1.86,1125 15.844,1126 19.874,1127 2.272,1128 32.972,1129 15.409,1130 -0.509,1132 28.447,1133 1.622,1134 16.963,1135 21.268,1137 35.319,1138 16.498,1139 801,1140 1697,1141 8.553,1142 12.847,1143 19.576,1144 20.775,1145 20.284,1146 19.219,1147 19.097,1148 25.711,1149 3.779,1150 54.774,1151 17.955,1152 5.286,1153 5.631,1154 6.167,1155 5.139,1156 5.097,1157 7.129,1158 2.22,1159 17.55,1160 5.003,1161 4.911,1162 1.506,1163 1.598,1164 1.56,1165 1.478,1166 1.469,1167 1.978,1168 0.291,1169 4.213,1170 1.381,1171 3.976,1172 4.001,1173 4.051,1174 3.895,1175 7.429,1176 3.899,1177 3.429,1178 3.487,1179 3.529,1180 3.213,1181 4.981,1182 3.242,1183 3.053,1184 3.075,1185 3.202,1186 2.9,1187 4.565,1188 2.905,1189 2.689,1190 2.721,1191 2.858,1192 2.531,1193 4.263,1194 2.529,1195 2.575,1196 2.644,1197 2.47,1198 2.332,1199 3.491,1200 2.369,1201 1.864,1202 1.975,1203 2.143,1204 1.507,1205 3.389,1206 1.457,1207 1.559,1208 1.696,1209 1.533,1210 1.206,1211 2.928,1212 1.205,1213 1.486,1214 1.612,1215 0.901,1216 1.073,1217 1.872,1218 0.999,1219 0.343,1220 0.279,1221 0.51,1222 0.313,1223 0.238,1224 4.462,1225 0.318,1226 3.631,1227 0.085,1228 6.633,1229 0.81,1230 4.067,1231 0.231,1232 3.097,1233 4.129,1234 1.11,1235 10.535,1236 3.003,1237 1.924,1238 1.904,1239 1.984,1240 2.031,1241 1.093,1242 2.021,1243 1.34,1244 1.284,1245 1.499,1246 1.585,1247 0.425,1248 1.57,1249 0.957,1250 0.931,1251 1.078,1252 1.163,1253 0.142,1254 1.134,1255 0.636,1256 0.59,1257 0.83,1258 0.819,1260 0.836,1261 0.487,1262 0.434,1263 0.744,1264 0.784,1266 0.791,1269 0.297,1270 0.241,1272 0.252,1275 0.198,1276 0.031,1278 0.126,1285 3.296,1287 4.595,1289 6.129,1291 7.771,1293 9.463,1296 5.814,1303 2.476,1312 12.639,1313 31.877,1314 56.732,1315 64.732,1316 69.487,1317 69.487,1318 69.487,1319 14.36,1320 5.447,1321 45.75,1322 45.75,1323 12,1324 11.624,1325 3.17,1326 2.585,1327 16.939,1328 22,1329 14,1330 0.443,1331 84.003,1332 144.14,1333 196.728,1334 1159,1335 5.9,1336 8.552,1337 0.713,1338 0.567,1339 9.052,1340 6.799,1341 5.788,1342 0.445,1343 0.291,1344 3.39,1345 5.297,1346 3.304,1347 2.726,1348 6.076,1349 3.786,1350 5.144,1351 0.286,1352 0.154,1353 5.515,1354 2.775,1355 4.406,1356 0.184,1357 0.08,1358 4.764,1359 1.926,1360 3.62,1361 0.121,1362 0.043,1363 3.929,1364 1.286,1365 2.801,1366 0.08,1367 0.023,1368 3.062,1369 0.792,1370 0.617,1371 39.387,1372 0.342,1373 11.626,1374 1.462,1375 62,1376 221.917,1377 83.231,1378 244.655,1379 318.27,1380 226,1381 73,1382 205.936,1383 90.692,1384 218.182,1385 319.35,1386 205,1387 4.9} {0 CHEMBL1958401,1 1.52,2 8.5,3 1.899,4 3.608,5 77.538,6 7.115,7 0.273,8 3.734,9 3.871,10 3.266,11 3.259,12 4.779,13 3.234,14 4.287,15 4.475,16 3.592,17 3.655,18 5.32,19 3.589,20 4.599,21 4.86,22 3.555,23 3.753,24 5.487,25 3.647,26 4.52,27 4.8,28 3.464,29 3.612,30 5.46,31 3.5,32 4.368,33 4.63,34 3.436,35 3.497,36 5.378,37 3.431,38 4.293,39 4.519,40 3.377,41 3.45,42 5.389,43 3.393,44 4.242,45 4.469,46 3.167,47 3.384,48 5.349,49 3.28,50 4.087,51 4.333,52 2.818,53 3.274,54 4.97,55 3.107,56 0.024,57 0.593,58 8.231,59 3.24,60 5.496,61 4.627,62 0.182,63 0.945,64 15.388,65 5.798,66 20.251,67 8.346,68 0.228,69 1.12,70 22.951,71 7.14,72 30.475,73 11.002,74 0.276,75 1.001,76 21.585,77 6.549,78 34.545,79 10.365,80 0.23,81 0.895,82 18.39,83 5.069,84 31.479,85 7.995,86 0.21,87 0.829,88 16.752,89 4.658,90 31.481,91 7.029,92 0.323,93 0.736,94 16.191,95 5.193,96 43.338,97 7.269,98 0.134,99 0.616,100 13.601,101 5.238,102 25.389,103 7.359,104 2,105 29,106 0.275,107 0.63,108 0.722,109 0.781,110 0.807,111 0.807,112 3.058,113 0.967,114 -3.6,115 -3.58,116 -3.41,119 39.5,121 5,127 1,135 1,138 1,142 2,143 1,145 2,158 1,159 1,172 6,175 5,178 3,179 1,180 3,183 6,188 3,193 2,196 4,199 1,200 3,203 1,205 6,212 1,213 5,218 6,225 3,230 1,233 4,238 1,239 2,242 2,247 8,253 1,261 6,266 2,274 2,278 474,279 13.792,280 13.792,281 13.792,282 13.792,283 13.792,284 12.534,285 14.183,286 8.532,287 14.015,288 10.938,289 10.938,290 10.938,291 10.938,292 10.938,293 9.004,294 21.147,295 4.149,296 11.291,297 3.728,298 1.77,299 1.262,300 0.934,301 0.789,302 0.789,303 3.743,306 1,307 1,308 1,309 368,310 1.871,314 189.175,321 1.3,322 16.759,324 1,325 1,326 1,327 1,328 0.8,329 0.5,330 1,331 1,332 0.9,333 43,334 170,335 4.328,336 3.549,337 6.203,338 3.921,339 2.952,340 3.85,341 1.305,342 9.332,343 2.865,344 3.843,345 3.025,346 5.592,347 3.565,348 2.603,349 3.216,350 0.964,351 7.686,352 2.502,353 3.557,354 2.753,355 5.199,356 3.331,357 2.342,358 2.693,359 0.268,360 6.533,361 2.312,362 3.279,363 2.391,364 4.717,365 2.881,366 1.902,367 2.38,369 5.203,370 1.841,371 3.16,372 1.823,373 4.343,374 2.673,375 1.724,376 2.293,378 4.22,379 1.631,380 2.581,381 1.485,382 3.587,383 2.381,384 1.399,385 1.544,387 3.021,388 1.371,389 2.5,390 1.151,391 3.489,392 2.015,393 1.068,394 1.5,396 2.605,397 1.008,398 2.43,399 1,400 3.247,401 2,402 1,403 1.412,405 2.136,406 1,407 2,408 1,409 3.247,410 1.984,411 1,412 1,414 2.136,415 0.983,416 1.284,417 0.718,418 2.87,419 0.94,425 1,426 0.267,427 2.557,428 0.629,429 -0.387,430 -0.542,432 -0.991,433 -0.381,434 0.836,435 -0.332,436 2.24,437 0.446,438 -0.537,439 -0.638,441 -1.322,442 -0.529,443 0.5,444 -0.549,445 1.851,446 0.179,447 -0.793,448 -0.947,450 -1.846,451 -0.77,452 0.377,453 -0.867,454 1.555,456 -1,457 -1,459 -2.347,460 -0.946,461 0.215,462 -1,463 1.555,464 -0.049,465 -1,466 -1.348,468 -2.347,469 -1,470 9.433,471 0.472,472 0.362,473 0.018,474 23.75,475 1.188,476 10.5,477 0.525,478 13.25,479 0.663,480 15.501,481 0.775,482 21.767,483 0.573,484 14.709,485 0.735,486 4.397,487 0.22,488 5.413,489 0.271,490 0.035,492 0.265,497 0.789,498 1.398,499 0.826,500 1.116,501 0.55,502 0.99,503 0.552,504 1.178,505 0.936,506 1.189,507 0.47,508 1.129,509 1.025,510 1.036,511 0.976,512 0.956,513 0.852,514 0.952,515 0.695,516 1.034,517 0.819,518 0.926,519 0.559,520 0.888,521 1.233,522 0.941,523 0.911,524 0.801,525 1.019,526 0.794,527 1.736,528 1.085,529 1.169,530 0.99,531 1.746,532 0.993,533 1.641,534 0.77,535 1.276,536 0.997,537 2.186,538 1.094,539 1.054,540 0.94,541 1.16,542 1.171,543 1.513,544 1.204,545 3.5,546 0.016,547 1.111,548 1.063,549 0.716,550 0.486,551 0.364,552 0.165,553 0.029,554 0.023,555 3904,556 9100,557 2.138,558 47.4,559 6,560 4,562 2,563 2,565 4,568 1.619,569 2.069,570 3.106,571 0.361,573 1,575 1,578 57.759,579 1.52,580 3.478,581 3.985,582 4.313,583 4.458,584 4.458,585 2.522,586 3.622,587 4.295,588 3.201,589 608.21,590 7.342,591 6218.64,592 1,593 1,595 1,596 199.421,597 1.076,598 4.283,599 0.159,600 0.004,601 0.038,602 0.039,603 0.03,604 0.02,605 0.017,606 0.01,607 0.002,608 0.003,609 0.322,610 0.67,611 1,612 0.432,613 88.403,614 -0.058,615 -0.157,616 0.046,617 -0.023,618 0.01,619 0.02,620 0.237,621 -0.043,622 -0.027,623 -0.151,624 0.165,625 -0.137,626 -0.103,627 -0.058,628 -0.003,629 0.005,630 -0.032,631 0.016,632 0.188,633 -0.097,634 0.168,635 0.02,636 0.179,637 0.082,638 -0.087,639 0.066,640 0.097,641 0.109,642 -0.007,643 0.132,644 -0.286,645 -0.047,646 -0.158,647 -0.067,648 -0.165,649 -0.083,650 -0.107,651 0.198,652 -0.263,653 -0.033,654 -0.21,655 -0.156,656 -0.133,657 -0.049,658 -0.211,659 -0.117,660 -0.22,661 -0.173,662 1.801,663 4.775,664 0.9,665 14.13,666 0.998,667 1.134,668 2.374,669 5.638,670 0.653,671 3.135,672 3.401,673 3.611,674 3.871,675 4.078,676 4.025,677 4.111,678 4.174,679 4.174,680 4.111,681 5.092,682 0.618,683 270.37,684 3.135,685 4.635,686 5.451,687 6.301,688 7.133,689 7.991,690 8.83,691 9.691,692 10.534,693 11.396,694 10.5,696 1,701 1,703 1,704 1,709 4,710 1,714 1,716 6,735 38,737 9,739 22,741 40,742 15,743 5,746 4,748 3,749 3,752 1,757 6,760 6,762 9,763 6,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 18,784 5,785 2,786 5,792 4,796 1,797 1,808 1,815 3,828 1,833 2,837 1,842 3,850 20,856 5,858 2,861 1,872 2.6,875 1,879 9.667,880 6.567,881 4.444,882 2.497,884 1.715,885 1.262,886 0.981,887 4.003,888 8.26,889 3.367,890 3.839,891 4.301,892 4.817,893 5.288,894 5.387,895 5.668,896 5.907,897 6.088,898 6.032,899 0.833,900 27,901 7.402,903 3.121,904 7.675,905 14.38,907 11.893,909 2.175,910 43.5,911 0.001,914 188.338,915 71.742,916 69.593,918 25.145,921 71.742,922 213.483,923 69.593,925 30.683,926 46.439,927 72.934,928 38.066,929 1.899,930 164.795,932 188.338,933 141.335,934 25.145,937 141.253,938 72.229,941 83.575,942 28.742,943 29.019,945 188.338,946 94.737,947 71.742,950 188.338,951 25.219,952 46.524,953 36.022,954 58.716,955 188.338,956 94.737,957 71.742,959 0.564,960 0.314,961 0.179,962 0.101,963 14,964 5,965 0.075,966 3,968 1,969 3.346,970 146.74,972 18,973 78.439,979 13.166,980 6.081,981 3.397,983 94.737,984 7.108,985 3.98,989 0.901,991 36.022,992 354.817,993 28,998 11.775,1000 1.515,1001 4.503,1002 1.107,1005 37.92,1006 43.109,1007 0.29,1008 0.663,1009 0.759,1010 0.822,1011 0.85,1012 0.85,1013 4.58,1014 1,1015 5.389,1016 2.605,1017 4.078,1018 4.522,1019 1.798,1020 6.111,1021 4.016,1022 5.728,1023 1,1024 6.878,1025 2.136,1026 3.434,1027 4.034,1028 0.623,1029 6.763,1030 3.355,1031 6.991,1033 8.464,1034 2.136,1035 5.572,1036 6.518,1037 1.956,1038 9.867,1039 5.447,1040 8.283,1041 -0.387,1042 10.109,1044 5.74,1045 6.833,1046 1.178,1047 11.367,1048 5.596,1049 9.608,1050 -0.537,1051 11.793,1052 -0.991,1053 7.324,1054 8.796,1055 2.224,1056 13.942,1057 7.139,1058 10.956,1059 -0.793,1060 13.504,1061 -1.322,1062 7.912,1063 9.537,1064 1.72,1065 15.823,1066 7.704,1067 12.323,1068 -1,1069 15.235,1070 -1.846,1071 9.226,1072 11.234,1073 2.565,1074 18.188,1075 8.98,1076 2.952,1077 -1,1078 16.981,1079 -2.347,1080 10.041,1081 12.22,1082 2.269,1083 20.25,1084 9.768,1085 2.603,1086 9.332,1087 18.738,1088 -2.347,1089 11.221,1090 13.768,1091 2.962,1092 22.529,1093 10.915,1094 2.342,1095 7.686,1096 20.505,1097 3.85,1098 12.157,1099 14.899,1100 2.823,1101 24.677,1102 11.821,1103 1.902,1104 6.533,1105 22.28,1106 3.216,1107 13.274,1108 16.362,1109 3.401,1110 26.923,1111 12.907,1112 1.724,1113 5.203,1114 24.062,1115 2.693,1116 14.274,1117 17.58,1118 3.377,1119 29.112,1120 13.877,1121 1.399,1122 4.22,1123 25.848,1124 2.38,1125 15.363,1126 18.994,1127 3.87,1128 31.346,1129 14.935,1130 1.068,1131 3.021,1132 27.64,1133 2.293,1134 16.397,1135 20.263,1136 3.928,1137 33.556,1138 15.939,1139 3756,1140 5878,1141 15.197,1142 24.807,1143 32.473,1144 33.023,1145 32.259,1146 31.991,1147 31.979,1148 39.776,1149 5.075,1150 85.743,1151 31.027,1152 5.328,1153 5.549,1154 6.005,1155 4.992,1156 4.952,1157 6.85,1158 2.416,1159 15.602,1160 4.865,1161 5.259,1162 1.476,1163 1.501,1164 1.466,1165 1.454,1166 1.454,1167 1.808,1168 0.231,1169 3.897,1170 1.41,1171 3.968,1172 4.013,1173 3.918,1174 3.849,1175 7.43,1176 3.858,1177 3.851,1178 3.904,1179 3.729,1180 3.739,1181 4.938,1182 3.727,1183 3.661,1184 3.714,1185 3.595,1186 3.463,1187 4.716,1188 3.493,1189 3.233,1190 3.309,1191 3.104,1192 3.031,1193 4.276,1194 3.033,1195 3.111,1196 3.206,1197 2.866,1198 2.941,1199 3.94,1200 2.91,1201 2.904,1202 2.966,1203 2.863,1204 2.735,1205 3.674,1206 2.715,1207 2.867,1208 2.926,1209 2.722,1210 2.674,1211 3.625,1212 2.696,1213 2.854,1214 2.925,1215 2.687,1216 2.61,1217 3.474,1218 2.656,1219 0.197,1220 0.161,1221 0.282,1222 0.178,1223 0.134,1224 4.328,1225 0.175,1226 3.549,1227 0.059,1228 6.203,1229 0.424,1230 3.921,1231 0.13,1232 2.952,1233 3.85,1234 1.305,1235 9.332,1236 2.865,1237 1.902,1238 1.865,1239 2.095,1240 2.057,1241 1.476,1242 2.064,1243 1.856,1244 1.805,1245 1.976,1246 1.989,1247 1.036,1248 1.995,1249 1.573,1250 1.526,1251 1.684,1252 1.801,1253 0.827,1254 1.773,1255 1.205,1256 1.128,1257 1.513,1258 1.444,1259 0.825,1260 1.458,1261 1.153,1262 1.064,1263 1.485,1264 1.376,1265 0.614,1266 1.429,1267 0.886,1268 0.821,1269 1.181,1270 1.09,1271 0.218,1272 1.107,1273 0.837,1274 0.757,1275 1.085,1276 1.062,1277 0.144,1278 1.102,1279 0.738,1280 0.701,1281 0.905,1282 1.054,1284 1.004,1285 3.807,1287 5.081,1289 6.558,1291 8.122,1293 9.729,1301 6.073,1303 6.121,1306 0.416,1312 23.488,1313 57.759,1314 132.148,1315 151.447,1316 163.911,1317 169.421,1318 169.421,1319 27.301,1320 6.545,1321 70.67,1322 70.67,1323 18,1324 11.949,1325 3.322,1326 2.807,1327 29.892,1328 61,1329 56,1330 0.243,1331 146.084,1332 257.03,1333 348.206,1334 5390,1336 13.786,1337 0.689,1338 0.565,1339 13.786,1340 11.302,1341 9.81,1342 0.446,1343 0.322,1344 7.013,1345 9.474,1346 6.91,1347 5.742,1348 9.81,1349 7.094,1350 8.576,1351 0.296,1352 0.179,1353 8.576,1354 5.194,1355 6.785,1356 0.188,1357 0.102,1358 6.785,1359 3.664,1360 5.88,1361 0.125,1362 0.056,1363 5.88,1364 2.637,1365 4.71,1366 0.081,1367 0.032,1368 4.71,1369 1.844,1370 0.374,1371 61.16,1372 0.257,1373 19.924,1374 0.687,1375 102,1376 279.691,1377 111.93,1378 273.142,1379 374.23,1380 256,1381 116,1382 276.791,1383 124.988,1384 279.356,1385 404.57,1386 264,1387 5.9} {0 CHEMBL196363,1 1.652,2 11.852,3 3.463,4 11.989,5 109.616,6 8.534,7 0.733,8 3.903,9 4.018,10 3.629,11 3.534,12 5.101,13 3.501,14 4.355,15 4.496,16 3.997,17 3.912,18 5.561,19 3.855,20 4.551,21 4.72,22 3.992,23 3.999,24 5.679,25 3.924,26 4.63,27 4.836,28 3.999,29 3.967,30 5.764,31 3.87,32 4.586,33 4.798,34 3.778,35 3.844,36 5.736,37 3.739,38 4.422,39 4.649,40 3.617,41 3.66,42 5.565,43 3.579,44 4.268,45 4.481,46 3.435,47 3.547,48 5.368,49 3.463,50 4.186,51 4.415,52 3.382,53 3.51,54 5.202,55 3.387,56 0.053,57 0.684,58 7.51,59 3.604,60 9.261,61 4.155,62 0.238,63 1.07,64 14.487,65 6.293,66 21.591,67 7.635,68 0.162,69 1.242,70 17.095,71 7.435,72 25.011,73 8.876,74 0.192,75 1.328,76 23.226,77 8.869,78 29.647,79 11.042,80 0.294,81 1.236,82 25.098,83 8.659,84 44.567,85 9.681,86 0.242,87 1.037,88 20.292,89 7.016,90 39.249,91 8.361,92 0.242,93 0.892,94 14.92,95 5.301,96 35.878,97 6.483,98 0.15,99 0.806,100 15.179,101 6.289,102 18.599,103 8.223,104 10,105 42,106 0.281,107 0.627,108 0.76,109 0.845,110 0.863,111 0.871,112 3.339,113 0.921,114 -4.46,115 -4.38,116 -4.13,119 45.5,120 1,142 8,143 4,144 2,147 1,148 1,151 1,159 1,161 1,163 1,164 1,165 1,172 11,174 1,175 3,177 1,178 3,179 1,180 5,183 15,185 1,188 2,193 5,196 10,198 1,200 7,202 1,203 1,205 9,208 5,210 2,213 8,218 7,221 2,223 2,225 7,230 6,233 4,235 2,239 1,244 2,247 8,253 1,256 2,257 1,258 1,260 1,261 10,266 1,271 1,274 8,278 1035,279 18.309,280 18.309,281 18.309,282 18.309,283 18.309,284 15.515,285 17.311,286 10.791,287 18.738,288 14.831,289 14.831,290 14.831,291 14.831,292 14.831,293 10.69,294 24.218,295 5.145,296 15.516,297 3.808,298 1.772,299 0.989,300 0.489,301 0.381,302 0.335,303 4.038,306 1,307 1,308 1,309 703,310 3,313 62.79,314 262.4,317 118.128,321 1.953,322 20.371,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 57.5,334 320,335 4.666,336 3.563,337 6.884,338 4.192,339 3.229,340 4.626,341 1.656,342 11.489,343 3.118,344 4.1,345 3.244,346 5.857,347 3.717,348 2.745,349 3.686,350 0.247,351 8.081,352 2.664,353 4.033,354 2.744,355 5.617,356 3.603,357 2.625,358 3.648,360 7.758,361 2.563,362 3.733,363 2.649,364 5.391,365 3.364,366 2.391,367 3.078,369 7.082,370 2.317,371 3.468,372 2.327,373 5.034,374 3.075,375 2.095,376 2.81,378 5.716,379 2.045,380 3.416,381 2.136,382 4.901,383 2.863,384 1.99,385 2.741,387 5.674,388 1.745,389 3.165,390 2.058,391 4.542,392 2.738,393 1.743,394 2.381,396 4.688,397 1.703,398 2.977,399 1.539,400 4.38,401 2.442,402 1.493,403 2.182,405 4.009,406 1.409,407 2.658,408 1.24,409 3.81,410 2.179,411 1.182,412 1.729,414 2.689,415 1.178,416 2.553,417 1.088,418 3.479,419 2,420 1.064,421 1.577,423 2.585,424 1,425 2.5,426 1,427 3.414,428 1.994,429 1,430 1.5,432 2.275,433 0.979,434 2.187,435 0.807,436 3.313,437 1.573,438 0.744,439 1.053,441 1.81,442 0.602,443 1.322,444 0.624,445 2.949,446 1.016,447 0.072,448 0.085,450 0.194,451 0.067,452 1.182,453 0.275,454 2.508,455 0.764,456 -0.233,457 -0.304,459 -0.562,460 -0.227,461 1.042,462 -0.131,463 2.365,464 0.582,465 -0.335,466 -0.442,468 -0.77,469 -0.307,470 13.167,471 0.488,472 0.661,473 0.024,474 40.5,475 1.5,476 23,477 0.852,478 17.5,479 0.648,480 18.212,481 0.675,482 27.033,483 0.614,484 28.353,485 1.05,486 7.929,487 0.294,488 5.168,489 0.191,490 0.094,492 0.342,497 0.897,498 1.051,499 0.724,500 0.775,501 0.765,502 0.754,503 0.439,504 0.924,505 0.82,506 0.931,507 0.48,508 0.874,509 1.095,510 1.124,511 0.901,512 0.961,513 1.022,514 1.04,515 0.827,516 1.17,517 0.904,518 1.108,519 0.783,520 1.039,521 1.571,522 1.061,523 1.32,524 1.138,525 1.576,526 1.071,527 1.425,528 0.992,529 1.001,530 0.911,531 1.447,532 0.9,533 1.537,534 0.917,535 0.956,536 0.836,537 1.658,538 1.011,539 0.421,540 0.827,541 0.795,542 0.987,543 0.551,544 1.008,545 5.5,546 0.091,547 2.667,548 2.063,549 1.468,550 0.722,551 0.406,552 0.305,553 0.193,554 0.208,555 10041,556 28348,557 2.12,558 38.6,559 3,560 8,561 1,562 1,563 4,568 1.694,569 2,570 3.514,571 1.698,573 1,578 72.68,579 1.652,580 3.687,581 4.471,582 4.971,583 5.079,584 5.124,585 2.94,586 4.607,587 4.728,588 3.718,589 1304.95,590 8.171,591 17354.7,593 1,595 1,596 240.215,597 1.352,598 4.694,599 0.183,600 0.005,601 0.063,602 0.05,603 0.039,604 0.023,605 0.015,606 0.013,607 0.009,608 0.01,609 0.411,610 0.17,611 1,612 0.528,613 136.072,614 -0.138,615 0.032,616 0.035,617 0.105,618 -0.15,619 0.081,620 0.351,621 0.124,622 0.063,623 0.023,624 0.165,625 0.021,626 -0.17,627 -0.121,628 -0.086,629 -0.068,630 -0.148,631 -0.134,632 0.078,633 -0.206,634 0.097,635 -0.11,636 0.116,637 -0.047,638 -0.265,639 -0.075,640 -0.202,641 -0.096,642 -0.142,643 -0.094,644 -0.183,645 -0.031,646 -0.017,647 0.043,648 -0.079,649 0.081,650 -0.318,651 0.051,652 -0.149,653 0.014,654 -0.349,655 -0.079,656 0.294,657 0.056,658 0.126,659 -0.01,660 0.16,661 0.046,662 1.952,663 5.173,664 0.778,665 26.123,666 1.005,667 1.116,668 3.225,669 10.401,670 0.72,671 3.434,672 3.761,673 4.025,674 4.317,675 4.489,676 4.522,677 4.605,678 4.762,679 4.762,680 4.828,681 7.122,682 0.686,683 375.49,684 3.434,685 4.977,686 5.826,687 6.708,688 7.572,689 8.459,690 9.33,691 10.22,692 11.096,693 11.989,694 11.4,698 1,701 2,704 2,708 2,709 10,710 2,713 1,714 6,716 22,727 1,735 44,737 23,738 2,739 30,741 47,742 20,743 18,744 4,745 8,748 4,749 5,753 1,754 1,762 19,763 1,767 1,772 1,776 1,780 1,783 17,784 6,785 4,786 7,787 1,792 5,796 0.75,797 1,809 1,814 1,815 3,818 1,842 3,844 1,846 1,850 27,851 1,858 2,867 1,872 2.3,875 1,879 13.5,880 8.15,881 5.861,882 2.4,884 4.106,885 1.541,886 1.041,887 4.84,888 11.695,889 3.761,890 4.41,891 5.02,892 5.664,893 6.181,894 6.463,895 6.868,896 7.339,897 7.561,898 7.903,899 0.875,900 41,901 9.912,903 4.215,904 7.753,905 18.786,907 15.322,909 2.253,910 60.833,913 1,914 153.024,915 156.744,916 102.49,918 25.145,920 31.278,921 125.467,922 178.169,923 102.49,924 8.825,925 36.022,926 116.356,927 70.804,928 26.262,929 18.375,930 160.76,932 153.024,933 227.956,934 25.145,935 31.278,937 153.024,938 25.145,941 53.782,942 140.603,943 33.571,944 31.278,945 153.024,946 127.635,947 156.744,950 153.024,951 55.842,952 100.903,953 36.022,954 91.613,955 153.024,956 127.635,957 156.744,959 0.583,960 0.336,961 0.189,962 0.098,963 21,964 9,965 0.064,966 3,967 1,968 1.095,969 3.994,970 227.926,971 0.095,972 21,973 122.382,975 1,979 17.588,980 7.43,981 3.82,982 1.72,983 127.635,984 18.727,985 8.33,988 1.529,989 4.993,991 68.919,992 437.403,993 42,998 12.173,1002 -0.285,1005 44.214,1006 49.112,1007 0.303,1008 0.675,1009 0.819,1010 0.91,1011 0.93,1012 0.939,1013 4.98,1014 1.493,1015 5.808,1016 4.688,1017 4.443,1018 5.097,1019 1.758,1020 6.611,1021 4.361,1022 6.205,1023 1.182,1024 7.357,1025 4.009,1026 4.007,1027 4.902,1028 1.195,1029 7.489,1030 3.917,1031 7.517,1032 1.064,1033 9.004,1034 2.689,1035 6.023,1036 7.352,1037 2.415,1038 10.607,1039 5.876,1040 8.865,1041 1,1042 10.712,1043 2.585,1044 6.399,1045 7.999,1046 2.324,1047 12.381,1048 6.237,1049 10.244,1050 0.744,1051 12.461,1052 2.275,1053 7.888,1054 9.914,1055 3.244,1056 15.029,1057 7.682,1058 11.647,1059 0.072,1060 14.241,1061 1.81,1062 8.658,1063 10.992,1064 3.407,1065 17.197,1066 8.427,1067 13.07,1068 -0.233,1069 16.046,1070 0.194,1071 9.932,1072 12.675,1073 4.156,1074 19.697,1075 9.664,1076 3.229,1077 -0.335,1078 17.872,1079 -0.562,1080 10.899,1081 13.979,1082 4.464,1083 22.031,1084 10.6,1085 2.745,1086 11.489,1087 19.715,1088 -0.77,1089 12.088,1090 15.563,1091 5.111,1092 24.486,1093 11.754,1094 2.625,1095 8.081,1096 21.572,1097 4.626,1098 13.153,1099 16.981,1100 5.504,1101 26.885,1102 12.783,1103 2.391,1104 7.758,1105 23.442,1106 3.686,1107 14.313,1108 18.526,1109 6.091,1110 29.329,1111 13.908,1112 2.095,1113 7.082,1114 25.321,1115 3.648,1116 15.425,1117 20,1118 6.531,1119 31.753,1120 14.984,1121 1.99,1122 5.716,1123 27.209,1124 3.078,1125 16.579,1126 21.531,1127 7.083,1128 34.194,1129 16.103,1130 1.743,1131 5.674,1132 29.104,1133 2.81,1134 17.716,1135 23.033,1136 7.551,1137 36.628,1138 17.203,1139 9415,1140 15989,1141 20.285,1142 31.699,1143 45.308,1144 45.843,1145 46.346,1146 44.638,1147 44.744,1148 62.193,1149 3.806,1150 128.101,1151 42.782,1152 5.533,1153 5.563,1154 6.441,1155 5.299,1156 5.229,1157 7.626,1158 2.912,1159 18.662,1160 5.118,1161 11.774,1162 1.51,1163 1.528,1164 1.545,1165 1.488,1166 1.491,1167 2.073,1168 0.127,1169 4.27,1170 1.426,1171 4.093,1172 4.111,1173 4.324,1174 4.08,1175 7.431,1176 4.043,1177 3.932,1178 3.966,1179 3.884,1180 3.859,1181 5.222,1182 3.855,1183 3.829,1184 3.864,1185 3.802,1186 3.759,1187 4.803,1188 3.748,1189 3.442,1190 3.491,1191 3.443,1192 3.188,1193 4.754,1194 3.226,1195 3.267,1196 3.32,1197 3.38,1198 3.121,1199 4.697,1200 3.108,1201 3.144,1202 3.222,1203 3,1204 2.985,1205 4.268,1206 2.968,1207 3,1208 3.107,1209 2.929,1210 2.812,1211 4.018,1212 2.791,1213 2.866,1214 2.94,1215 2.751,1216 2.735,1217 3.859,1218 2.715,1219 0.156,1220 0.119,1221 0.229,1222 0.14,1223 0.108,1224 4.666,1225 0.154,1226 3.563,1227 0.055,1228 6.884,1229 0.383,1230 4.192,1231 0.104,1232 3.229,1233 4.626,1234 1.656,1235 11.489,1236 3.118,1237 1.948,1238 1.925,1239 2.042,1240 2.043,1241 1.157,1242 2.041,1243 1.911,1244 1.882,1245 2.022,1246 2.001,1247 1.13,1248 2.009,1249 1.748,1250 1.716,1251 1.789,1252 1.903,1253 0.872,1254 1.886,1255 1.389,1256 1.375,1257 1.56,1258 1.613,1259 0.617,1260 1.585,1261 1.266,1262 1.217,1263 1.414,1264 1.411,1265 0.583,1266 1.456,1267 1.139,1268 1.075,1269 1.294,1270 1.348,1271 0.301,1272 1.378,1273 0.893,1274 0.839,1275 1.181,1276 1.23,1277 0.218,1278 1.225,1279 0.886,1280 0.821,1281 1.162,1282 1.062,1283 0.144,1284 1.107,1285 4.111,1287 5.434,1288 2.398,1289 6.946,1290 4.727,1291 8.547,1292 6.862,1293 10.193,1295 1.98,1299 6.009,1303 5.658,1312 30.17,1313 72.68,1314 162.241,1315 196.705,1316 218.705,1317 223.46,1318 225.46,1319 37.104,1320 7.589,1321 92.93,1322 121.17,1323 23,1324 12.519,1325 4.585,1326 3.7,1327 40.549,1328 119,1329 99,1330 0.169,1331 189.941,1332 314.78,1333 455.216,1334 22050,1336 18.803,1337 0.696,1338 0.57,1339 19.156,1340 15.378,1341 13.097,1342 0.437,1343 0.307,1344 8.316,1345 12.275,1346 8.009,1347 6.688,1348 13.551,1349 9.207,1350 11.982,1351 0.285,1352 0.166,1353 12.533,1354 6.972,1355 9.814,1356 0.178,1357 0.091,1358 10.488,1359 5.016,1360 8.669,1361 0.117,1362 0.051,1363 9.53,1364 3.784,1365 6.625,1366 0.075,1367 0.027,1368 7.378,1369 2.402,1370 0.272,1371 85.716,1372 0.222,1373 26.359,1374 0.444,1375 144,1376 405.864,1377 177.906,1378 426.052,1379 588.56,1380 398,1381 169,1382 426.318,1383 198.864,1384 452.284,1385 657.73,1386 424,1387 5.9} {0 CHEMBL1964290,1 1.557,2 7.957,3 2.942,4 8.656,5 90.446,6 7.685,7 0.68,8 3.793,9 3.928,10 3.373,11 3.34,12 5.01,13 3.33,14 4.249,15 4.42,16 3.747,17 3.715,18 5.482,19 3.685,20 4.427,21 4.596,22 3.795,23 3.846,24 5.589,25 3.801,26 4.566,27 4.757,28 3.791,29 3.895,30 5.706,31 3.822,32 4.674,33 4.924,34 3.73,35 3.883,36 5.708,37 3.787,38 4.566,39 4.799,40 3.691,41 3.76,42 5.77,43 3.691,44 4.482,45 4.714,46 3.483,47 3.606,48 5.697,49 3.524,50 4.338,51 4.595,52 3.244,53 3.386,54 5.621,55 3.284,56 0.056,57 0.631,58 7.707,59 3.105,60 11.975,61 4.125,62 0.175,63 0.949,64 13.314,65 5.549,66 29.426,67 7.541,68 0.159,69 1.105,70 15.995,71 6.3,72 25.722,73 8.421,74 0.2,75 1.219,76 19.066,77 7.358,78 30.328,79 10.143,80 0.268,81 1.255,82 24.021,83 8.479,84 39.566,85 12.175,86 0.283,87 1.132,88 21.142,89 7.01,90 45.527,91 9.954,92 0.248,93 0.992,94 19.846,95 6.434,96 52.522,97 8.9,98 0.403,99 0.845,100 18.055,101 5.324,102 73.297,103 7.642,104 27,105 36,106 0.274,107 0.645,108 0.773,109 0.85,110 0.876,111 0.876,112 3.19,113 0.858,114 -3.36,115 -3.34,116 -3.2,119 42.5,120 2,142 5,143 4,145 1,146 1,150 1,152 2,158 1,163 2,164 2,165 2,172 9,174 1,175 3,177 3,178 3,180 4,183 11,185 1,188 2,191 1,193 4,196 12,198 1,200 2,203 1,204 1,205 5,207 1,208 8,210 2,213 4,216 1,217 1,218 5,220 1,221 6,223 3,224 1,225 7,227 1,228 1,230 5,233 4,235 5,239 6,244 3,247 3,249 3,252 1,253 4,255 2,256 2,257 1,258 2,260 2,261 2,263 2,264 1,266 3,271 3,276 3,278 695,279 15.137,280 15.137,281 15.137,282 15.137,283 15.137,284 12.892,285 9.269,286 8.735,287 15.329,288 12.301,289 12.301,290 12.301,291 12.301,292 12.301,293 8.966,294 6.931,295 4.114,296 12.625,297 3.765,298 1.656,299 0.928,300 0.488,301 0.338,302 0.338,303 3.863,306 1,307 1,308 1,309 386,310 2.646,313 60.596,314 148.964,321 1.187,322 21.755,323 1,324 1,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 49.5,334 183,335 4.601,336 3.561,337 6.831,338 4.225,339 3.239,340 4.333,341 0.98,342 11.287,343 3.196,344 4.25,345 3.157,346 6.256,347 3.855,348 2.873,349 3.899,351 9.296,352 2.828,353 4.03,354 2.901,355 6.009,356 3.626,357 2.648,358 3.592,360 8.397,361 2.583,362 3.565,363 2.543,364 5.315,365 3.132,366 2.192,367 2.896,369 6.142,370 2.08,371 3.41,372 2.23,373 5.038,374 3.052,375 2.058,376 2.668,378 6.019,379 2.008,380 2.972,381 1.787,382 4.455,383 2.493,384 1.513,385 2.143,387 4.116,388 1.476,389 2.866,390 1.518,391 4.12,392 2.414,393 1.414,394 2.028,396 3.225,397 1.414,398 2.69,399 1.318,400 3.837,401 2.189,402 1.222,403 1.763,405 3.035,406 1.178,407 2.433,408 1.046,409 3.548,410 1.919,411 0.965,412 1.395,414 2.475,415 0.918,416 2.273,417 1.009,418 3.467,419 1.74,420 0.761,421 1.109,423 2.02,424 0.739,425 1.34,426 0.419,427 2.73,428 1.101,429 0.108,430 0.127,432 0.243,433 0.107,434 0.949,435 0.101,436 2.509,437 0.537,438 -0.398,439 -0.505,441 -0.887,442 -0.368,443 0.908,444 -0.247,445 2.358,446 0.513,447 -0.47,448 -0.615,450 -1.143,451 -0.465,452 0.691,453 -0.337,454 2,455 0.234,456 -0.718,457 -0.947,459 -2,460 -0.682,461 0.498,462 -0.697,463 2,464 0.056,465 -1,466 -1.232,468 -2.029,469 -1.005,470 10.833,471 0.471,472 0.703,473 0.031,474 32.75,475 1.424,476 18,477 0.783,478 14.75,479 0.641,480 16.445,481 0.715,482 23.967,483 0.599,484 23.878,485 1.038,486 6.64,487 0.289,488 4.329,489 0.188,490 0.197,492 0.415,497 0.938,498 1.124,499 0.81,500 0.882,501 0.885,502 0.821,503 0.457,504 0.942,505 0.641,506 0.89,507 0.391,508 0.812,509 1.017,510 1.121,511 0.999,512 1.073,513 0.916,514 1.042,515 0.843,516 1.24,517 1.089,518 1.27,519 0.862,520 1.228,521 0.786,522 0.915,523 0.888,524 0.967,525 0.73,526 0.947,527 1.065,528 1.015,529 0.973,530 1.017,531 1.058,532 0.985,533 1.515,534 1.152,535 1.15,536 1.135,537 1.763,538 1.11,539 1.328,540 0.876,541 1.165,542 0.936,543 1.544,544 1.025,545 5,546 0.025,547 3.111,548 1.785,549 1.741,550 1.042,551 0.598,552 0.347,553 0.193,554 0.096,555 4908,556 13942,557 2.016,558 42.5,559 6,560 5,562 1,563 5,568 1.664,569 1.84,570 3.023,571 2.675,572 1,573 1,575 1,578 62.294,579 1.557,580 3.666,581 4.394,582 4.834,583 4.984,584 4.984,585 2.442,586 4.35,587 4.496,588 3.157,589 798.847,590 7.778,591 8874.43,592 1,593 1,594 1,595 1,596 212.877,597 1.538,598 4.428,599 0.2,600 0.006,601 0.086,602 0.048,603 0.05,604 0.032,605 0.019,606 0.014,607 0.011,608 0.01,609 0.476,610 0.33,611 1,612 0.872,613 105.287,614 -0.166,615 0.061,616 -0.002,617 0.114,618 -0.204,619 0.093,620 0.291,621 0.145,622 0.222,623 0.13,624 0.254,625 0.155,626 -0.123,627 -0.039,628 -0.13,629 -0.071,630 -0.087,631 -0.098,632 0.012,633 -0.205,634 -0.192,635 -0.272,636 -0.061,637 -0.267,638 0.048,639 0.021,640 0.095,641 0.032,642 0.044,643 0.065,644 0.016,645 -0.045,646 0.015,647 -0.052,648 0.067,649 -0.02,650 -0.202,651 -0.228,652 -0.134,653 -0.168,654 -0.184,655 -0.148,656 0.043,657 0.05,658 -0.108,659 -0.007,660 0.016,661 -0.077,662 2.162,663 4.848,664 0.739,665 16.817,666 1.003,667 1.13,668 2.13,669 4.538,670 0.676,671 3.258,672 3.611,673 3.892,674 4.159,675 4.382,676 4.477,677 4.554,678 4.625,679 4.654,680 4.595,681 5.085,682 0.65,683 307.39,684 3.258,685 4.812,686 5.673,687 6.567,688 7.452,689 8.352,690 9.246,691 10.149,692 11.049,693 11.954,694 12.5,698 1,701 1,702 1,704 2,709 6,710 2,711 1,714 8,716 17,722 1,727 1,735 40,737 18,738 1,739 25,741 42,742 17,743 14,744 3,745 3,746 1,748 3,749 3,754 2,762 15,763 2,767 1,772 1,776 1,779 1,780 1,783 17,784 5,785 5,786 6,792 5,796 1,797 1,809 1,810 1,814 1,815 2,842 3,846 2,850 23,851 2,872 2.5,875 1,879 12.5,880 7.733,881 5,882 2.175,884 3.072,885 1.446,886 1.015,887 3.886,888 9.959,889 3.57,890 4.223,891 4.835,892 5.443,893 5.97,894 6.312,895 6.704,896 7.116,897 7.481,898 7.768,899 1,900 37,901 8.433,903 3.571,904 7.87,905 15.793,907 12.731,909 2.37,910 54.5,913 1,914 141.253,915 101.695,916 116.151,918 25.145,921 101.695,922 166.398,923 116.151,924 17.65,925 32.897,926 80.278,927 75.192,928 41.332,929 7.413,930 129.482,932 141.253,933 217.846,934 25.145,937 141.253,938 25.145,941 81.036,942 103.239,943 33.571,945 141.253,946 141.296,947 101.695,950 141.253,951 27.616,952 74.079,953 16.786,954 124.51,955 141.253,956 141.296,957 101.695,959 0.592,960 0.349,961 0.185,962 0.104,963 18,964 9,965 0.071,966 3,968 1,969 3.362,970 188.824,972 17,973 102.042,979 15.254,980 5.859,981 2.832,983 124.51,984 10.92,985 8.049,986 3.244,989 5.723,991 82.58,992 384.244,993 34.5,998 11.848,1002 -0.495,1005 40.138,1006 45.192,1007 0.293,1008 0.689,1009 0.826,1010 0.908,1011 0.937,1012 0.937,1013 4.806,1014 1.222,1015 5.687,1016 3.225,1017 4.29,1018 4.909,1019 1.072,1020 6.535,1021 4.244,1022 6.051,1023 0.965,1024 7.277,1025 3.035,1026 4.007,1027 4.796,1029 7.516,1030 3.952,1031 7.378,1032 0.761,1033 8.968,1034 2.475,1035 5.922,1036 7.153,1037 1.045,1038 10.637,1039 5.838,1040 8.743,1041 0.108,1042 10.716,1043 2.02,1044 6.431,1045 7.837,1047 12.435,1048 6.344,1049 10.137,1050 -0.398,1051 12.5,1052 0.243,1053 7.858,1054 9.68,1055 1.019,1056 15.089,1057 7.747,1058 11.553,1059 -0.47,1060 14.308,1061 -0.887,1062 8.717,1063 10.738,1065 17.225,1066 8.602,1067 12.987,1068 -0.718,1069 16.136,1070 -1.143,1071 9.962,1072 12.362,1073 0.993,1074 19.717,1075 9.829,1076 3.239,1077 -1,1078 17.977,1079 -2,1080 10.979,1081 13.607,1083 22.004,1084 10.839,1085 2.873,1086 11.287,1087 19.829,1088 -2.029,1089 12.158,1090 15.132,1091 0.967,1092 24.44,1093 12.002,1094 2.648,1095 9.296,1096 21.689,1097 4.333,1098 13.247,1099 16.473,1101 26.794,1102 13.083,1103 2.192,1104 8.397,1105 23.557,1106 3.899,1107 14.404,1108 17.953,1109 0.942,1110 29.212,1111 14.226,1112 2.058,1113 6.142,1114 25.431,1115 3.592,1116 15.528,1117 19.344,1119 31.599,1120 15.34,1121 1.513,1122 6.019,1123 27.31,1124 2.896,1125 16.681,1126 20.805,1127 0.917,1128 34.014,1129 16.48,1130 1.414,1131 4.116,1132 29.193,1133 2.668,1134 17.823,1135 22.224,1137 36.416,1138 17.61,1139 4889,1140 8360,1141 16.126,1142 27.051,1143 38.579,1144 38.967,1145 40.153,1146 38.021,1147 37.986,1148 51.91,1149 1.96,1150 112.508,1151 37.051,1152 5.292,1153 5.561,1154 6.383,1155 5.297,1156 5.239,1157 7.333,1158 1.96,1159 18.726,1160 5.196,1161 13.082,1162 1.543,1163 1.559,1164 1.606,1165 1.521,1166 1.519,1167 2.076,1168 0.078,1169 4.5,1170 1.482,1171 4.088,1172 4.121,1173 4.054,1174 4.002,1175 7.437,1176 4.009,1177 3.869,1178 3.909,1179 3.817,1180 3.774,1181 5.237,1182 3.781,1183 3.703,1184 3.754,1185 3.654,1186 3.535,1187 4.924,1188 3.559,1189 3.289,1190 3.357,1191 3.214,1192 3.048,1193 4.807,1194 3.03,1195 3.181,1196 3.262,1197 2.993,1198 2.986,1199 4.653,1200 3.01,1201 3.132,1202 3.227,1203 2.936,1204 2.939,1205 4.489,1206 2.948,1207 3.015,1208 3.127,1209 2.847,1210 2.74,1211 3.926,1212 2.762,1213 2.718,1214 2.789,1215 2.577,1216 2.559,1217 3.891,1218 2.545,1219 0.184,1220 0.142,1221 0.273,1222 0.169,1223 0.13,1224 4.601,1225 0.173,1226 3.561,1227 0.039,1228 6.831,1229 0.451,1230 4.225,1231 0.128,1232 3.239,1233 4.333,1234 0.98,1235 11.287,1236 3.196,1237 1.963,1238 1.94,1239 2.07,1240 2.04,1241 1.228,1242 2.05,1243 1.797,1244 1.755,1245 1.876,1246 1.972,1247 0.908,1248 1.947,1249 1.547,1250 1.523,1251 1.655,1252 1.733,1253 0.748,1254 1.706,1255 1.336,1256 1.269,1257 1.56,1258 1.593,1259 0.616,1260 1.569,1261 1.214,1262 1.139,1263 1.535,1264 1.418,1265 0.561,1266 1.471,1267 1.146,1268 1.058,1269 1.433,1270 1.401,1271 0.435,1272 1.436,1273 0.944,1274 0.844,1275 1.246,1276 1.285,1278 1.289,1279 0.899,1280 0.813,1281 1.195,1282 1.22,1284 1.228,1285 3.932,1287 5.273,1288 2.398,1289 6.806,1290 4.727,1291 8.426,1292 6.862,1293 10.091,1295 4.038,1299 11.173,1312 25.983,1313 62.294,1314 146.638,1315 175.758,1316 193.367,1317 199.367,1318 199.367,1319 36.154,1320 6.887,1321 110.68,1322 110.68,1323 17,1324 12.474,1325 4.248,1326 3.392,1327 36.528,1328 69,1329 65,1330 0.265,1331 163.281,1332 272.91,1333 390.166,1334 7503,1336 16.56,1337 0.72,1338 0.562,1339 16.56,1340 12.921,1341 10.969,1342 0.439,1343 0.286,1344 7.073,1345 10.627,1346 6.819,1347 5.718,1348 10.969,1349 7.154,1350 10.266,1351 0.285,1352 0.15,1353 10.266,1354 5.383,1355 8.519,1356 0.177,1357 0.081,1358 8.519,1359 3.907,1360 6.925,1361 0.11,1362 0.04,1363 6.925,1364 2.545,1365 5.518,1366 0.07,1367 0.021,1368 5.518,1369 1.648,1370 0.399,1371 68.241,1372 0.249,1373 22.015,1374 0.784,1375 122,1376 343.983,1377 132.263,1378 344.375,1379 475.42,1380 320,1381 145,1382 358.862,1383 154.349,1384 368.411,1385 536.18,1386 346,1387 6.3} {0 CHEMBL1964307,1 1.458,2 11.37,3 4.09,4 16.731,5 109.069,6 7.584,7 0.733,8 3.95,9 4.076,10 3.534,11 3.556,12 5.107,13 3.529,14 4.421,15 4.574,16 3.886,17 3.945,18 5.538,19 3.895,20 4.658,21 4.84,22 3.903,23 4.058,24 5.74,25 3.981,26 4.741,27 4.968,28 3.856,29 4.022,30 5.79,31 3.928,32 4.686,33 4.91,34 3.74,35 3.921,36 5.805,37 3.83,38 4.605,39 4.852,40 3.576,41 3.808,42 5.648,43 3.698,44 4.426,45 4.667,46 3.338,47 3.666,48 5.395,49 3.535,50 4.293,51 4.547,52 3.305,53 3.556,54 5.194,55 3.431,56 0.071,57 0.692,58 9.052,59 3.97,60 9.569,61 5.169,62 0.121,63 1.07,64 15.417,65 6.879,66 16.611,67 9.214,68 0.18,69 1.316,70 20.994,71 8.536,72 29,73 11.321,74 0.14,75 1.385,76 24.522,77 9.586,78 30.615,79 13.297,80 0.238,81 1.292,82 23.747,83 8.58,84 46.643,85 11.517,86 0.216,87 1.169,88 22.643,89 8.265,90 42.001,91 11.37,92 0.184,93 0.965,94 18.703,95 7.196,96 35.305,97 9.809,98 0.078,99 0.837,100 16.384,101 6.782,102 17.47,103 9.578,104 10,105 42,106 0.245,107 0.577,108 0.724,109 0.846,110 0.873,111 0.873,112 3.339,113 0.878,114 -5.39,115 -5.27,116 -4.92,119 46.8,120 1,121 1,142 11,143 5,144 1,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 17,175 2,177 1,178 2,180 6,183 22,185 1,188 3,192 1,193 6,195 1,196 17,198 1,200 7,205 9,208 12,210 3,213 6,218 7,221 11,223 3,225 5,230 5,233 13,235 2,239 2,244 3,247 12,249 1,253 3,258 4,261 11,263 1,266 1,271 1,274 8,278 1030,279 18.309,280 18.309,281 18.309,282 18.309,283 18.309,284 15.515,285 16.003,286 10.791,287 18.434,288 14.831,289 14.831,290 14.831,291 14.831,292 14.831,293 10.69,294 20.616,295 5.143,296 15.015,297 4.097,298 2.122,299 1.241,300 0.516,301 0.356,302 0.356,303 4.038,306 1,307 1,308 1,309 675,310 3,313 62.779,314 262.472,317 117.778,321 1.959,322 18.589,324 1,325 0.75,326 1,327 1,328 0.6,330 1,331 1,332 0.76,333 57,334 307,335 4.661,336 3.629,337 6.879,338 4.21,339 3.223,340 4.621,341 1.987,342 11.471,343 3.18,344 4.105,345 3.24,346 5.887,347 3.738,348 2.748,349 3.701,350 0.324,351 8.171,352 2.718,353 4.044,354 2.758,355 5.618,356 3.627,357 2.639,358 3.654,360 7.772,361 2.605,362 3.755,363 2.688,364 5.395,365 3.412,366 2.413,367 3.118,369 7.102,370 2.405,371 3.476,372 2.401,373 4.956,374 3.093,375 2.101,376 2.758,378 5.724,379 2.08,380 3.344,381 2.137,382 4.9,383 2.872,384 1.913,385 2.702,387 5.401,388 1.832,389 3.168,390 1.984,391 4.558,392 2.757,393 1.749,394 2.384,396 4.71,397 1.756,398 2.953,399 1.552,400 4.41,401 2.467,402 1.474,403 2.144,405 4.114,406 1.462,407 2.658,408 1.24,409 3.817,410 2.18,411 1.181,412 1.729,414 2.803,415 1.179,416 2.631,417 1.187,418 3.479,419 2.138,420 1.156,421 1.692,423 2.587,424 1.132,425 2.5,426 1,427 3.414,428 2,429 1,430 1.5,432 2.275,433 1,434 2.174,435 0.818,436 3.326,437 1.704,438 0.721,439 1.031,441 1.751,442 0.707,443 1.35,444 0.669,445 2.947,446 1.072,447 0.088,448 0.104,450 0.234,451 0.086,452 1.184,453 0.331,454 2.555,455 0.781,456 -0.222,457 -0.292,459 -0.543,460 -0.221,461 0.889,462 -0.131,463 2.314,464 0.568,465 -0.43,466 -0.531,468 -1.005,469 -0.429,470 12.933,471 0.479,472 0.661,473 0.024,474 39,475 1.444,476 22.5,477 0.833,478 16.5,479 0.611,480 18.489,481 0.685,482 27.267,483 0.58,484 28.168,485 1.043,486 7.893,487 0.292,488 5.204,489 0.193,490 0.095,492 0.348,497 0.798,498 0.916,499 0.795,500 0.828,501 0.742,502 0.805,503 0.536,504 1.077,505 0.795,506 1.005,507 0.542,508 0.945,509 1.106,510 1.087,511 1.099,512 1.096,513 1.124,514 1.1,515 0.861,516 1.139,517 0.937,518 1.093,519 0.744,520 1.034,521 1.495,522 1.036,523 1.131,524 1.029,525 1.538,526 1.039,527 1.251,528 0.937,529 1.032,530 0.954,531 1.317,532 0.967,533 1.2,534 0.909,535 1.127,536 1.005,537 1.395,538 1.057,539 0.496,540 0.952,541 0.762,542 0.987,543 0.558,544 0.925,545 5.5,546 0.11,547 2.667,548 2.16,549 1.208,550 0.847,551 0.451,552 0.277,553 0.195,554 0.192,555 9969,556 24998,557 2.12,558 42.6,559 3,560 11,563 4,564 2,568 1.695,569 2,570 3.444,571 1.624,573 1,578 68.52,579 1.458,580 3.433,581 4.314,582 5.038,583 5.198,584 5.198,585 2.852,586 4.459,587 4.729,588 3.687,589 1294.26,590 8.174,591 17230.3,593 1,595 1,596 261.066,597 1.352,598 4.694,599 0.183,600 0.006,601 0.063,602 0.053,603 0.032,604 0.026,605 0.016,606 0.013,607 0.009,608 0.01,609 0.41,611 1,612 0.528,613 135.876,614 -0.023,615 0.203,616 0.023,617 0.125,618 -0.114,619 0.089,620 0.181,621 -0.036,622 0.06,623 -0.023,624 0.08,625 -0.003,626 -0.119,627 -0.068,628 -0.186,629 -0.126,630 -0.145,631 -0.16,632 0.016,633 -0.171,634 0.032,635 -0.108,636 0.104,637 -0.047,638 -0.191,639 -0.052,640 -0.129,641 -0.067,642 -0.109,643 -0.085,644 -0.117,645 0.012,646 -0.012,647 0.028,648 -0.069,649 0.024,650 -0.166,651 0.017,652 -0.127,653 -0.003,654 -0.204,655 -0.053,656 0.144,657 -0.069,658 0.229,659 0.051,660 0.123,661 0.133,662 1.7,663 5.293,664 0.778,665 25.783,666 0.996,667 1.118,668 4.157,669 17.279,670 0.693,671 3.434,672 3.761,673 4.025,674 4.317,675 4.489,676 4.5,677 4.605,678 4.745,679 4.727,680 4.812,681 7.056,682 0.66,683 356.46,684 3.434,685 4.977,686 5.826,687 6.708,688 7.572,689 8.458,690 9.329,691 10.217,692 11.092,693 11.983,694 8.5,698 1,701 1,702 1,704 1,708 2,709 11,710 1,711 1,714 6,716 22,727 1,735 47,737 23,738 3,739 30,741 50,742 22,743 19,744 7,745 11,748 4,749 5,754 1,760 1,762 20,763 2,767 1,772 1,776 1,780 1,783 20,784 4,785 4,786 5,792 4,796 0.75,797 1,806 1,814 1,815 3,818 1,828 1,842 3,846 1,850 27,851 1,856 1,858 1,872 2.1,875 1,879 13.5,880 8.617,881 5.861,882 2.663,884 4.099,885 1.542,886 1.04,887 4.654,888 11.666,889 3.761,890 4.41,891 5.02,892 5.664,893 6.181,894 6.439,895 6.868,896 7.317,897 7.515,898 7.881,899 1,900 41,901 9.936,903 4.233,904 7.704,905 18.993,907 15.652,909 2.204,910 59.5,913 1,914 188.338,915 142.847,916 84.234,918 25.145,921 142.847,922 213.483,923 84.234,924 8.825,925 20.545,926 137.136,927 46.513,928 34.735,929 4.472,930 188.338,932 188.338,933 227.081,934 25.145,937 188.338,938 25.145,941 46.033,942 164.385,943 16.663,945 188.338,946 109.379,947 142.847,950 188.338,951 29.783,952 113.064,953 34.674,954 74.705,955 188.338,956 109.379,957 142.847,959 0.583,960 0.337,961 0.19,962 0.099,963 21,964 9,965 0.08,966 4,967 1,968 1.095,969 3.984,970 228.412,971 0.095,972 21,973 122.382,979 17.317,980 7.256,981 3.712,982 1.828,983 92.716,984 21.691,985 4.085,986 2.935,989 5.438,991 67.571,992 440.564,993 42,998 12.293,1002 -0.033,1005 46.803,1006 52.524,1007 0.262,1008 0.618,1009 0.777,1010 0.907,1011 0.936,1012 0.936,1013 4.98,1014 1.474,1015 5.808,1016 4.71,1017 4.443,1018 5.097,1019 2.076,1020 6.611,1021 4.419,1022 6.205,1023 1.181,1024 7.357,1025 4.114,1026 4.007,1027 4.902,1028 1.593,1029 7.489,1030 3.973,1031 7.517,1032 1.156,1033 9.004,1034 2.803,1035 6.023,1036 7.352,1037 3.1,1038 10.607,1039 5.976,1040 8.865,1041 1,1042 10.712,1043 2.587,1044 6.399,1045 7.999,1046 3.168,1047 12.381,1048 6.338,1049 10.244,1050 0.721,1051 12.461,1052 2.275,1053 7.888,1054 9.914,1055 4.312,1056 15.027,1057 7.816,1058 11.647,1059 0.088,1060 14.241,1061 1.751,1062 8.658,1063 10.992,1064 4.654,1065 17.194,1066 8.571,1067 13.07,1068 -0.222,1069 16.046,1070 0.234,1071 9.93,1072 12.674,1073 5.601,1074 19.691,1075 9.832,1076 3.223,1077 -0.43,1078 17.872,1079 -0.543,1080 10.896,1081 13.977,1082 6.091,1083 22.022,1084 10.783,1085 2.748,1086 11.471,1087 19.714,1088 -1.005,1089 12.083,1090 15.559,1091 6.927,1092 24.475,1093 11.958,1094 2.639,1095 8.171,1096 21.571,1097 4.621,1098 13.145,1099 16.976,1100 7.5,1101 26.871,1102 13.005,1103 2.413,1104 7.772,1105 23.44,1106 3.701,1107 14.303,1108 18.519,1109 8.273,1110 29.312,1111 14.149,1112 2.101,1113 7.102,1114 25.319,1115 3.654,1116 15.413,1117 19.991,1118 8.894,1119 31.734,1120 15.244,1121 1.913,1122 5.724,1123 27.206,1124 3.118,1125 16.564,1126 21.52,1127 9.631,1128 34.173,1129 16.382,1130 1.749,1131 5.401,1132 29.1,1133 2.758,1134 17.698,1135 23.02,1136 10.279,1137 36.605,1138 17.502,1139 9347,1140 14925,1141 20.285,1142 32.569,1143 45.339,1144 46,1145 46.374,1146 44.799,1147 44.811,1148 62.276,1149 4.622,1150 128.228,1151 44.284,1152 5.527,1153 5.629,1154 6.436,1155 5.224,1156 5.223,1157 7.621,1158 3.497,1159 18.697,1160 5.18,1161 11.776,1162 1.511,1163 1.533,1164 1.546,1165 1.493,1166 1.494,1167 2.076,1168 0.154,1169 4.274,1170 1.476,1171 4.135,1172 4.171,1173 4.103,1174 4.053,1175 7.429,1176 4.06,1177 3.942,1178 3.977,1179 3.881,1180 3.863,1181 5.248,1182 3.862,1183 3.86,1184 3.893,1185 3.797,1186 3.789,1187 4.791,1188 3.787,1189 3.485,1190 3.528,1191 3.416,1192 3.292,1193 4.752,1194 3.315,1195 3.358,1196 3.424,1197 3.267,1198 3.173,1199 4.664,1200 3.189,1201 3.164,1202 3.245,1203 2.993,1204 3.024,1205 4.313,1206 3.004,1207 3.029,1208 3.111,1209 2.912,1210 2.871,1211 3.996,1212 2.876,1213 2.89,1214 2.987,1215 2.736,1216 2.735,1217 3.837,1218 2.715,1219 0.155,1220 0.121,1221 0.229,1222 0.14,1223 0.107,1224 4.661,1225 0.154,1226 3.629,1227 0.066,1228 6.879,1229 0.382,1230 4.21,1231 0.106,1232 3.223,1233 4.621,1234 1.987,1235 11.471,1236 3.18,1237 2.021,1238 2.003,1239 2.102,1240 2.083,1241 1.263,1242 2.09,1243 1.916,1244 1.887,1245 2.037,1246 2.013,1247 1.137,1248 2.021,1249 1.811,1250 1.784,1251 1.925,1252 1.904,1253 1.075,1254 1.913,1255 1.406,1256 1.362,1257 1.592,1258 1.697,1259 0.708,1260 1.649,1261 1.328,1262 1.251,1263 1.517,1264 1.604,1265 0.6,1266 1.587,1267 1.191,1268 1.116,1269 1.466,1270 1.398,1271 0.355,1272 1.441,1273 1.04,1274 0.975,1275 1.249,1276 1.298,1277 0.28,1278 1.295,1279 0.929,1280 0.865,1281 1.181,1282 1.134,1283 0.225,1284 1.156,1285 4.111,1287 5.434,1288 2.398,1289 6.946,1290 4.727,1291 8.547,1292 6.823,1293 10.195,1295 2.002,1299 5.999,1301 0.326,1303 2.938,1312 31.015,1313 68.52,1314 161.349,1315 202.747,1316 236.801,1317 244.311,1318 244.311,1319 39.527,1320 7.567,1321 83.8,1322 83.8,1323 23,1324 12.515,1325 4.585,1326 3.7,1327 40.529,1328 118,1329 99,1330 0.17,1331 191.2,1332 319.87,1333 458.289,1334 21456,1336 18.803,1337 0.696,1338 0.555,1339 18.803,1340 14.991,1341 13.097,1342 0.437,1343 0.293,1344 8.713,1345 12.794,1346 8.462,1347 7.063,1348 13.097,1349 8.784,1350 11.982,1351 0.285,1352 0.158,1353 11.982,1354 6.628,1355 9.814,1356 0.178,1357 0.083,1358 9.814,1359 4.549,1360 8.653,1361 0.117,1362 0.044,1363 8.653,1364 3.254,1365 6.696,1366 0.076,1367 0.024,1368 6.696,1369 2.104,1370 0.273,1371 80.767,1372 0.222,1373 26.316,1374 0.449,1375 144,1376 371.359,1377 152.792,1378 374.627,1379 521.16,1380 350,1381 169,1382 394.186,1383 177.433,1384 405.81,1385 587.32,1386 382,1387 5.9} {0 CHEMBL1964382,1 1.783,2 7.762,3 6.381,4 40.717,5 108.269,6 19.329,7 0.545,8 3.582,9 3.647,10 4.01,11 3.453,12 4.755,13 3.302,14 4.051,15 4.156,16 4.591,17 3.929,18 5.165,19 3.737,20 4.369,21 4.459,22 5.003,23 4.172,24 5.637,25 3.949,26 4.533,27 4.71,28 5.473,29 4.28,30 5.531,31 3.924,32 4.519,33 4.753,34 4.844,35 4.177,36 5.365,37 3.83,38 4.312,39 4.445,40 4.655,41 4.12,42 5.441,43 3.686,44 3.945,45 4.041,46 4.468,47 3.665,48 5.309,49 3.305,50 3.579,51 3.758,52 5.826,53 3.691,54 4.85,55 3.066,56 0.061,57 0.31,58 33.487,59 1.704,60 10.782,61 2.735,62 0.059,63 0.532,64 71.81,65 3.852,66 12.712,67 5.878,68 0.168,69 0.729,70 125.056,71 8.846,72 22.687,73 7.949,74 0.202,75 0.966,76 242.394,77 14.069,78 33.901,79 12.488,80 0.19,81 1.041,82 196.195,83 14.381,84 32.252,85 15.087,86 0.191,87 0.766,88 324.132,89 22.297,90 23.699,91 13.41,92 0.328,93 0.518,94 136.081,95 10.881,96 50.602,97 5.686,98 0.186,99 0.399,100 247.445,101 13.94,102 27.197,103 6.127,104 65,105 34,106 0.335,107 0.666,108 0.689,109 0.711,110 0.711,111 0.711,112 3.104,113 1.33,114 -6.7,115 -6.52,116 -6.04,117 2,119 45.5,120 2,123 1,142 4,143 2,144 6,172 8,183 16,193 8,196 16,205 2,208 14,218 2,221 12,230 6,233 8,244 4,261 4,271 4,278 534,279 12.911,280 12.911,281 12.911,282 12.911,283 12.911,284 11.224,285 15.067,286 7.004,287 13.61,288 10.715,289 10.715,290 10.715,291 10.715,292 10.715,293 8.274,294 22.485,295 3.251,296 12.226,297 3.261,298 1.5,299 1.379,300 1.258,301 1.258,302 1.258,303 3.744,309 330,310 3.162,314 143.912,321 1.224,322 18.669,325 0.5,326 0.67,327 0.67,328 0.6,329 0.5,330 0.67,331 1,332 0.66,333 42.3,334 163,335 4.702,336 3.881,337 7.674,338 4.527,339 3.534,340 4.235,341 0.68,342 13.666,343 3.514,344 4.335,345 3.336,346 6.323,347 3.837,348 2.951,349 4.027,351 9.3,352 2.534,353 4.146,354 3.26,355 6.26,356 3.713,357 2.836,358 3.521,360 9.029,361 2.376,362 3.294,363 2.517,364 5.491,365 2.875,366 1.899,367 2.593,369 6.19,370 1.822,371 3.232,372 2.517,373 4.879,374 2.661,375 1.879,376 2.481,378 5.225,379 1.285,380 3.232,381 2.098,382 4.879,383 2.661,384 1.879,385 2.481,387 5.225,388 1.242,389 2.635,390 1.525,391 4.351,392 2.294,393 1.312,394 1.671,396 3.895,397 1.242,398 1.572,399 1.331,400 3.358,401 1.14,402 0.416,403 0.457,405 0.952,406 0.182,407 1.485,408 1.107,409 2.957,410 1.056,411 0.339,412 0.37,414 0.767,415 0.138,416 1,417 0.122,418 2.653,419 0.426,420 -0.347,421 -0.445,423 -0.898,424 -0.118,425 1,426 0.122,427 2.653,428 0.426,429 -0.347,430 -0.445,432 -0.898,433 -0.121,434 0.205,435 -0.354,436 2.343,438 -1,439 -1,441 -2.588,442 -0.474,443 0.182,444 -0.445,445 2.263,446 -0.198,447 -1,448 -1.116,450 -2.617,451 -0.511,453 -0.885,454 2,455 -0.25,456 -1,457 -1.148,459 -3,460 -1,461 -0.142,462 -0.908,463 1.468,464 -0.601,465 -1.317,466 -1.51,468 -3.715,469 -1.107,470 14.119,471 0.672,472 0.945,473 0.045,474 24.5,475 1.167,476 13,477 0.619,478 11.5,479 0.548,480 30.014,481 1.429,482 19.481,483 0.59,484 8.573,485 0.408,486 3.495,487 0.166,488 6.146,489 0.293,490 0.54,491 0.035,492 0.283,497 0.916,498 0.677,499 0.497,500 0.455,501 1.059,502 0.561,503 0.552,504 0.689,505 0.592,506 0.521,507 0.545,508 0.533,509 0.695,510 1.183,511 0.908,512 0.991,513 0.693,514 1.035,515 0.688,516 1.042,517 0.614,518 0.691,519 0.735,520 0.969,521 0.34,522 0.827,523 0.747,524 0.708,525 0.297,526 0.793,527 1.089,528 1.484,529 2.131,530 2.107,531 0.804,532 1.843,533 2.904,534 0.983,535 1.609,536 1.444,537 2.999,538 1.276,539 1.79,540 0.512,541 0.569,542 0.527,543 1.941,544 0.366,545 7,547 4.444,548 2.5,549 1.929,550 1.042,551 0.405,552 0.361,553 0.23,554 0.051,555 3422,556 16640,557 1.853,558 36.4,559 6,560 4,563 2,568 1.637,569 1.626,570 2.95,571 0.378,576 2,578 58.842,579 1.783,580 3.544,581 3.665,582 3.787,583 3.787,584 3.787,585 2.416,586 2.869,587 4.367,588 3.057,589 641.953,590 7.508,591 6576.92,596 166.465,597 1.726,598 4.231,599 0.318,601 0.131,602 0.066,603 0.064,604 0.037,605 0.018,606 0.023,607 0.018,608 0.009,609 0.683,610 0.67,611 0.75,612 0.74,613 92.538,614 -0.139,615 0.152,616 -0.003,617 0.04,618 -0.217,619 0.058,620 0.041,621 0.176,622 0.009,623 0.082,624 0.069,625 0.209,626 0.122,627 -0.305,628 -0.078,629 -0.193,630 0.131,631 -0.234,632 -0.045,633 -0.09,634 0.129,635 0.086,636 -0.108,637 -0.035,638 0.13,639 0.181,640 0.012,641 0.116,642 0.114,643 0.268,644 -0.182,645 -0.484,646 -0.48,647 -0.569,648 -0.034,649 -0.642,650 -0.727,651 0.065,652 -0.302,653 -0.145,654 -0.677,655 -0.267,656 -0.056,657 0.619,658 0.871,659 0.924,660 -0.17,661 0.889,662 1.508,663 3.896,664 0.571,665 13.197,666 1.01,667 1.087,668 5.474,669 29.959,670 0.91,671 3.135,672 3.555,673 3.807,674 3.932,675 4.174,676 4.205,677 4.111,678 3.892,679 3.892,680 3.892,681 4.718,682 0.768,683 637.87,684 3.135,685 4.727,686 5.595,687 6.5,688 7.391,689 8.295,690 9.193,691 10.098,692 10.999,693 11.905,709 4,714 8,716 12,732 2,734 4,735 33,737 12,738 2,739 22,740 2,741 34,742 15,743 12,744 8,745 4,748 2,749 2,754 2,755 1,762 12,763 3,783 12,784 2,785 2,786 6,787 4,788 2,796 1,797 2,815 2,842 2,845 2,846 2,849 2,850 21,855 2,863 1,871 4,872 6.1,874 2,879 12.917,880 6.555,881 4.444,882 1.785,884 2.152,885 1.341,886 0.945,887 5.8,888 8.469,889 3.367,890 4.06,891 4.62,892 5.107,893 5.639,894 5.834,895 5.955,896 6.067,897 6.411,898 6.751,899 1,900 38,901 7.744,903 3.251,904 7.801,905 14.73,907 12.063,909 2.301,910 48.323,914 117.711,915 184.92,916 91.908,918 85.367,920 113.564,921 163.264,922 203.078,924 17.65,926 37.905,927 85.367,928 15.801,930 231.275,931 91.908,932 117.711,933 71.356,934 85.367,936 205.472,937 117.711,938 85.367,941 17.65,942 53.706,944 205.472,945 117.711,946 85.367,947 163.264,948 113.564,950 117.711,951 15.801,952 169.119,953 91.908,954 85.367,955 117.711,956 85.367,957 163.264,958 113.564,959 0.622,960 0.376,961 0.163,962 0.092,963 17,964 10,965 0.059,966 2,968 1,969 3.001,970 163.097,972 12,973 72.239,979 18.123,980 6.721,981 3.655,983 85.367,984 7.832,989 5.674,991 85.367,992 479.906,993 28,1005 33.32,1006 35.865,1007 0.353,1008 0.703,1009 0.727,1010 0.751,1011 0.751,1012 0.751,1013 4.663,1014 0.416,1015 5.694,1016 3.895,1017 4.234,1018 4.745,1019 0.655,1020 6.624,1021 4,1022 5.96,1023 0.339,1024 7.366,1025 0.952,1026 4.29,1027 4.89,1029 7.987,1030 3.94,1031 7.337,1032 -0.347,1033 9.149,1034 0.767,1035 6.023,1036 7.033,1037 0.356,1038 11.059,1039 5.723,1040 8.747,1041 -0.347,1042 10.994,1043 -0.898,1044 6.804,1045 7.856,1047 13.211,1048 6.454,1049 10.182,1050 -1,1051 12.881,1052 -0.898,1053 8.164,1054 9.592,1055 0.18,1056 15.939,1057 7.857,1058 11.636,1059 -1,1060 14.798,1061 -2.588,1062 9.221,1063 10.713,1065 18.385,1066 8.909,1067 13.104,1068 -1,1069 16.737,1070 -2.617,1071 10.48,1072 12.285,1073 0.087,1074 21.023,1075 10.198,1076 3.534,1077 -1.317,1078 18.695,1079 -3,1080 11.644,1081 13.552,1083 23.576,1084 11.375,1085 2.951,1086 13.666,1087 20.668,1088 -3.715,1089 12.88,1090 15.048,1091 0.041,1092 26.193,1093 12.634,1094 2.836,1095 9.3,1096 22.653,1097 4.235,1098 14.088,1099 16.388,1101 28.785,1102 13.859,1103 1.899,1104 9.029,1105 24.647,1106 4.027,1107 15.323,1108 17.848,1109 0.019,1110 31.398,1111 15.112,1112 1.879,1113 6.19,1114 26.65,1115 3.521,1116 16.552,1117 19.227,1119 34.004,1120 16.355,1121 1.879,1122 5.225,1123 28.659,1124 2.593,1125 17.793,1126 20.669,1127 0.009,1128 36.617,1129 17.609,1130 1.312,1131 5.225,1132 30.673,1133 2.481,1134 19.034,1135 22.07,1137 39.229,1138 18.859,1139 3608,1140 8032,1141 12.948,1142 30.023,1143 34.353,1144 36.091,1145 36.978,1146 34.471,1147 34.089,1148 43.672,1149 1.36,1150 108.498,1151 28.667,1152 5.463,1153 5.881,1154 6.674,1155 5.527,1156 5.534,1157 7.235,1158 1.36,1159 21.752,1160 5.514,1161 15.2,1162 1.562,1163 1.64,1164 1.681,1165 1.567,1166 1.549,1167 1.985,1168 0.062,1169 4.932,1170 1.303,1171 4.021,1172 4.035,1173 10.697,1174 4.102,1175 6.471,1176 3.991,1177 3.826,1178 3.83,1179 10.694,1180 3.997,1181 6.465,1182 3.806,1183 3.465,1184 3.508,1185 6.882,1186 3.585,1187 4.69,1188 3.366,1189 2.875,1190 3.009,1191 6.879,1192 3.364,1193 4.506,1194 2.887,1195 2.875,1196 2.898,1197 3.863,1198 3.248,1199 4.041,1200 2.887,1201 2.874,1202 2.897,1203 3.578,1204 2.734,1205 3.762,1206 2.666,1207 2.842,1208 2.884,1209 3.221,1210 2.701,1211 3.757,1212 2.637,1213 2.828,1214 2.843,1215 2.706,1216 2.618,1217 3.467,1218 2.57,1219 0.214,1220 0.176,1221 0.349,1222 0.206,1223 0.161,1224 4.702,1225 0.192,1226 3.881,1227 0.031,1228 7.674,1229 0.621,1230 4.527,1231 0.16,1232 3.534,1233 4.235,1234 0.68,1235 13.666,1236 3.514,1237 1.993,1238 1.981,1239 2.055,1240 2.037,1241 1.323,1242 2.058,1243 1.805,1244 1.801,1245 1.786,1246 1.835,1247 1.019,1248 1.855,1249 1.462,1250 1.42,1251 1.642,1252 1.604,1253 0.822,1254 1.639,1255 0.934,1256 0.848,1257 1.417,1258 1.239,1259 0.469,1260 1.308,1261 0.868,1262 0.848,1263 0.968,1264 1.066,1265 0.158,1266 1.04,1267 0.868,1268 0.804,1269 0.967,1270 1.032,1271 0.157,1272 0.992,1273 0.778,1274 0.735,1275 0.95,1276 0.913,1277 0.058,1278 0.983,1279 0.725,1280 0.709,1281 0.894,1282 0.913,1284 0.982,1285 3.807,1287 5.198,1289 6.786,1291 8.457,1293 10.171,1294 6.794,1295 4.244,1298 4.246,1300 19.791,1308 -0.258,1312 25.328,1313 58.842,1314 116.955,1315 120.955,1316 124.955,1317 124.955,1318 124.955,1319 47.538,1320 6.317,1321 40.46,1322 40.46,1323 12,1324 12.424,1325 3.7,1326 2.807,1327 39.056,1328 58,1329 53,1330 0.341,1331 189.294,1332 312.4,1333 453.638,1334 3398,1335 12.1,1336 15.947,1337 0.759,1338 0.891,1339 20.947,1340 18.703,1341 9.641,1342 0.438,1343 0.443,1344 6.212,1345 7.111,1346 5.71,1347 4.711,1348 12.528,1349 9.756,1350 9.785,1351 0.288,1352 0.272,1353 13.493,1354 9.235,1355 8.32,1356 0.189,1357 0.144,1358 12.127,1359 6.331,1360 5.516,1361 0.11,1362 0.099,1363 9.159,1364 4.933,1365 4.481,1366 0.07,1367 0.052,1368 6.874,1369 3.312,1370 0.509,1371 102.878,1372 0.278,1373 20.168,1374 1.015,1375 112,1376 316.905,1377 545.767,1378 469.823,1379 586.86,1380 428,1381 134,1382 312.146,1383 331.391,1384 377.743,1385 553.64,1386 352,1387 6.3} {0 CHEMBL1964399,1 1.615,2 12.581,3 3.553,4 12.626,5 118.804,6 7.337,7 0.364,8 4.155,9 4.271,10 3.689,11 3.603,12 5.334,13 3.605,14 4.643,15 4.83,16 4.029,17 3.921,18 5.756,19 3.917,20 4.822,21 4.995,22 4.118,23 4.079,24 6.052,25 4.044,26 5.032,27 5.289,28 4.017,29 4.123,30 6.05,31 4.033,32 4.955,33 5.198,34 4.025,35 4.086,36 5.985,37 4.019,38 4.853,39 5.044,40 4.047,41 4.028,42 6.064,43 3.989,44 4.904,45 5.13,46 3.934,47 3.929,48 6.122,49 3.885,50 4.756,51 4.985,52 3.783,53 3.844,54 5.896,55 3.785,56 0.101,57 0.84,58 12.392,59 4.991,60 15.641,61 6.637,62 0.38,63 1.241,64 22.735,65 7.609,66 35.805,67 10.569,68 0.564,69 1.496,70 26.465,71 8.674,72 62.492,73 12.606,74 0.691,75 1.619,76 36.207,77 10.812,78 71.823,79 16.495,80 0.633,81 1.51,82 33.392,83 10.175,84 62.908,85 15.099,86 0.506,87 1.44,88 28.312,89 8.706,90 59.344,91 12.668,92 0.867,93 1.361,94 32.322,95 8.303,96 98.127,97 12.235,98 0.675,99 1.203,100 27.596,101 7.581,102 77.472,103 11.198,104 76,105 48,106 0.264,107 0.608,108 0.724,109 0.785,110 0.797,111 0.808,112 3.471,113 0.887,114 -2.66,115 -2.68,116 -2.6,119 37.9,120 4,123 1,124 2,127 1,138 2,142 4,144 3,145 1,147 1,150 1,156 2,172 4,174 2,175 7,178 2,180 2,183 5,187 2,188 6,191 2,192 1,193 1,196 4,199 1,200 5,203 4,205 1,212 1,213 5,216 2,218 3,224 2,225 5,228 1,230 6,233 2,238 3,239 3,242 2,243 1,244 3,247 3,252 1,253 4,256 1,257 1,261 3,265 1,266 5,271 4,278 1685,279 20.16,280 20.16,281 20.16,282 20.16,283 20.16,284 18.047,285 31.33,286 11.426,287 20.857,288 16.102,289 16.102,290 16.102,291 16.102,292 16.102,293 12.778,294 51.659,295 5.232,296 17.111,297 4.243,298 2.143,299 1.436,300 1.061,301 0.992,302 0.923,303 4.143,307 1,308 1,309 807,310 4.301,312 83.993,314 222.969,321 2.008,322 35.624,325 1,326 0.83,327 1,328 1,329 1,330 1,331 1,332 0.98,333 68.5,334 390,335 4.687,336 3.623,337 7.079,338 4.329,339 3.356,340 4.23,341 0.86,342 11.75,343 3.281,344 4.282,345 3.299,346 6.928,347 4.197,348 3.22,349 3.922,350 0.86,351 11.24,352 3.122,353 4.274,354 3.207,355 6.168,356 3.861,357 2.915,358 3.667,359 0.6,360 9.146,361 2.754,362 4.068,363 2.86,364 5.672,365 3.604,366 2.683,367 3.299,368 0.6,369 7.946,370 2.468,371 3.605,372 2.544,373 5.32,374 3.223,375 2.283,376 2.918,377 0.4,378 6.838,379 2.139,380 3.314,381 2.202,382 5.003,383 2.828,384 1.898,385 2.582,387 5.617,388 1.758,389 3.175,390 2.181,391 4.955,392 2.682,393 1.745,394 2.245,396 5.216,397 1.629,398 2.919,399 2.094,400 4.693,401 2.521,402 1.609,403 2.057,405 4.304,406 1.461,407 2.883,408 1.755,409 4.36,410 2.355,411 1.415,412 1.931,414 4.109,415 1.322,416 2.631,417 1.437,418 4.257,419 2.112,420 1.174,421 1.664,423 3.25,424 1.096,425 2.223,426 1.222,427 3.5,428 2.097,429 1.151,430 1.203,432 2.614,433 1.084,434 1.93,435 1.084,436 3.119,437 1.613,438 0.718,439 0.845,441 1.34,442 0.636,443 1.535,444 0.935,445 3.058,446 1.221,447 0.367,448 0.401,450 0.53,451 0.311,452 1.491,453 0.835,454 2.882,455 1.083,456 0.201,457 0.253,459 0.494,460 0.176,461 1.239,462 0.281,463 2.766,464 0.914,470 14.333,471 0.462,472 1.038,473 0.033,474 39,475 1.258,476 18.5,477 0.597,478 20.5,479 0.661,480 29.289,481 0.945,482 34.867,483 0.601,484 31.198,485 1.006,486 7.637,487 0.246,488 6.997,489 0.226,490 0.256,491 0.035,492 0.349,497 0.979,498 1.487,499 0.834,500 1.232,501 1.036,502 1.039,503 0.993,504 1.031,505 0.708,506 0.865,507 0.704,508 0.754,509 0.776,510 1.416,511 1.025,512 1.277,513 0.624,514 1.203,515 0.766,516 0.931,517 0.893,518 0.918,519 0.718,520 0.921,521 0.927,522 0.919,523 0.84,524 0.83,525 0.819,526 0.819,527 1.081,528 1.358,529 1.07,530 1.237,531 1.318,532 1.161,533 1.425,534 0.89,535 1.147,536 0.869,537 1.922,538 0.937,539 1.299,540 0.907,541 1.094,542 0.837,543 1.624,544 0.908,545 8.5,546 0.239,547 4,548 2.813,549 1.938,550 1.368,551 0.872,552 0.53,553 0.419,554 0.318,555 12585,556 34626,557 1.949,558 46.6,559 9,560 11,562 1,563 3,565 3,568 1.736,569 1.763,570 3.62,571 0.908,573 1,578 93.664,579 1.615,580 3.715,581 4.422,582 4.797,583 4.866,584 4.935,585 3.071,586 4.607,587 4.927,588 3.812,589 1772.66,590 8.602,591 26046.5,593 1,595 1,596 339.763,597 1.721,598 4.839,599 0.258,600 0.009,601 0.087,602 0.06,603 0.046,604 0.031,605 0.02,606 0.014,607 0.013,608 0.011,609 0.549,610 0.33,611 1,612 1.31,613 162.936,614 -0.103,615 -0.235,616 0.03,617 -0.085,618 -0.173,619 -0.015,620 0.003,621 0.08,622 0.241,623 0.165,624 0.083,625 0.229,626 0.149,627 -0.249,628 -0.104,629 -0.248,630 0.208,631 -0.23,632 0.065,633 0.059,634 0.083,635 0.043,636 0.044,637 0.063,638 -0.003,639 0.065,640 0.141,641 0.151,642 0.028,643 0.17,644 -0.037,645 -0.265,646 -0.113,647 -0.238,648 -0.033,649 -0.2,650 -0.102,651 0.11,652 -0.109,653 0.033,654 -0.186,655 -0.031,656 -0.124,657 0.093,658 -0.081,659 0.103,660 -0.193,661 0.031,662 1.965,663 4.068,664 0.516,665 32.689,666 1.009,667 1.136,668 1.429,669 2.042,670 0.642,671 3.526,672 3.892,673 4.127,674 4.277,675 4.466,676 4.554,677 4.625,678 4.673,679 4.736,680 4.828,681 7.555,682 0.617,683 425.54,684 3.526,685 5.094,686 5.943,687 6.834,688 7.705,689 8.598,690 9.477,691 10.372,692 11.256,693 12.153,694 8.6,702 1,703 2,704 2,709 5,710 2,714 5,716 12,728 1,733 2,735 58,737 15,738 1,739 33,741 60,742 22,743 10,744 3,745 3,746 4,748 3,749 3,754 4,755 1,760 1,762 14,763 8,767 3,775 2,776 4,780 1,783 27,784 9,785 3,786 9,792 5,796 1,797 4,809 1,813 1,815 2,825 2,833 2,840 2,842 3,846 6,850 31,855 2,858 1,859 2,861 1,863 1,872 6.9,874 2,877 2,879 17.583,880 12.283,881 6.806,882 3.193,884 3.6,885 1.478,886 0.891,887 6.75,888 11.129,889 3.761,890 4.369,891 4.916,892 5.407,893 5.91,894 6.179,895 6.549,896 6.934,897 7.326,898 7.676,899 1,900 47,901 11.419,903 4.769,904 7.858,905 21.337,907 16.811,909 2.358,910 73.083,913 1,914 282.506,915 127.003,916 85.153,918 107.366,921 127.003,922 389.873,923 85.153,924 57.067,926 37.905,927 136.222,928 95.873,929 4.227,930 270.735,932 282.506,933 212.156,934 107.366,937 247.193,938 142.68,941 97.829,942 80.756,943 33.571,945 282.506,946 192.519,947 127.003,950 282.506,951 22.984,952 104.019,953 18.011,954 174.509,955 282.506,956 192.519,957 127.003,959 0.594,960 0.349,961 0.165,962 0.088,963 22,964 12,965 0.117,966 7,968 1,969 4.111,970 268.325,972 16,973 144.825,979 22.883,980 9.144,981 5.103,983 192.519,984 8.479,985 8.558,989 2.494,991 103.377,992 602.029,993 42,1001 8.879,1002 -0.085,1005 58.538,1006 65.896,1007 0.276,1008 0.634,1009 0.755,1010 0.819,1011 0.831,1012 0.842,1013 5.037,1014 1.609,1015 5.989,1016 5.216,1017 4.575,1018 5.056,1019 1.744,1020 6.853,1021 4.463,1022 6.285,1023 1.415,1024 7.6,1025 4.304,1026 4.443,1027 4.987,1029 8.017,1030 4.318,1031 7.631,1032 1.174,1033 9.318,1034 4.109,1035 6.293,1036 7.26,1037 1.324,1038 11.063,1039 6.108,1040 9.013,1041 1.151,1042 11.097,1043 3.25,1044 6.938,1045 7.938,1047 12.999,1048 6.744,1049 10.424,1050 0.718,1051 12.916,1052 2.614,1053 8.339,1054 9.74,1055 1.034,1056 15.644,1057 8.102,1058 11.855,1059 0.367,1060 14.763,1061 1.34,1062 9.298,1063 10.766,1065 17.876,1066 9.049,1067 13.303,1068 0.201,1069 16.631,1070 0.53,1071 10.548,1072 12.365,1073 0.818,1074 20.392,1075 10.268,1076 3.356,1078 18.515,1079 0.494,1080 11.636,1081 13.571,1083 22.743,1084 11.34,1085 3.22,1086 11.75,1087 20.411,1089 12.835,1090 15.074,1091 0.647,1092 25.215,1093 12.515,1094 2.915,1095 11.24,1096 22.318,1097 4.23,1098 13.978,1099 16.375,1101 27.617,1102 13.639,1103 2.683,1104 9.146,1105 24.232,1106 3.922,1107 15.163,1108 17.832,1109 0.509,1110 30.073,1111 14.802,1112 2.283,1113 7.946,1114 26.152,1115 3.667,1116 16.329,1117 19.187,1119 32.499,1120 15.949,1121 1.898,1122 6.838,1123 28.077,1124 3.299,1125 17.512,1126 20.622,1127 0.397,1128 34.949,1129 17.112,1130 1.745,1131 5.617,1132 30.006,1133 2.918,1134 18.69,1135 22.006,1137 37.387,1138 18.27,1139 12561,1140 21075,1141 20.69,1142 37.222,1143 50.399,1144 51.336,1145 52.591,1146 49.317,1147 49.475,1148 62.432,1149 6.64,1150 148.789,1151 46.476,1152 5.547,1153 5.623,1154 6.633,1155 5.405,1156 5.356,1157 7.23,1158 1.72,1159 19.75,1160 5.281,1161 21.285,1162 1.527,1163 1.556,1164 1.594,1165 1.494,1166 1.499,1167 1.892,1168 0.201,1169 4.509,1170 1.408,1171 4,1172 4.037,1173 3.971,1174 3.866,1175 6.539,1176 3.885,1177 3.912,1178 3.936,1179 3.873,1180 3.805,1181 6.391,1182 3.818,1183 3.789,1184 3.84,1185 3.724,1186 3.655,1187 5.062,1188 3.657,1189 3.695,1190 3.731,1191 3.604,1192 3.555,1193 4.915,1194 3.571,1195 3.284,1196 3.346,1197 3.156,1198 3.034,1199 4.683,1200 3.045,1201 3.247,1202 3.325,1203 3.051,1204 3.019,1205 4.496,1206 3.007,1207 3.23,1208 3.314,1209 3.004,1210 2.95,1211 4.392,1212 2.959,1213 2.988,1214 3.072,1215 2.858,1216 2.77,1217 4.317,1218 2.773,1219 0.142,1220 0.11,1221 0.215,1222 0.131,1223 0.102,1224 4.687,1225 0.128,1226 3.623,1227 0.026,1228 7.079,1229 0.356,1230 4.329,1231 0.099,1232 3.356,1233 4.23,1234 0.86,1235 11.75,1236 3.281,1237 1.899,1238 1.872,1239 2.045,1240 2.057,1241 1.303,1242 2.038,1243 1.871,1244 1.846,1245 1.973,1246 2.006,1247 1.067,1248 2.001,1249 1.761,1250 1.715,1251 1.86,1252 1.919,1253 0.932,1254 1.914,1255 1.638,1256 1.602,1257 1.729,1258 1.811,1259 0.755,1260 1.788,1261 1.256,1262 1.162,1263 1.613,1264 1.524,1265 0.706,1266 1.547,1267 1.214,1268 1.149,1269 1.576,1270 1.516,1271 0.575,1272 1.54,1273 1.191,1274 1.115,1275 1.565,1276 1.499,1277 0.574,1278 1.528,1279 0.946,1280 0.867,1281 1.417,1282 1.239,1283 0.469,1284 1.308,1285 4.205,1287 5.587,1289 7.168,1291 8.827,1293 10.526,1295 11.224,1300 20.1,1303 3.082,1304 10.543,1306 -0.087,1308 -0.102,1312 35.761,1313 93.664,1314 215.443,1315 256.479,1316 278.214,1317 282.214,1318 286.214,1319 71.273,1320 7.529,1321 121.45,1322 121.45,1323 16,1324 12.68,1325 4,1326 3.322,1327 58.318,1328 141,1329 137,1330 0.201,1331 223.232,1332 396.68,1333 536.445,1334 19641,1336 22.759,1337 0.734,1338 0.596,1339 22.759,1340 18.464,1341 14.634,1342 0.443,1343 0.296,1344 9.563,1345 13.886,1346 9.098,1347 7.712,1348 14.634,1349 9.756,1350 13.935,1351 0.29,1352 0.169,1353 13.935,1354 8.111,1355 11.295,1356 0.185,1357 0.082,1358 11.295,1359 4.98,1360 8.206,1361 0.116,1362 0.036,1363 8.206,1364 2.568,1365 6.467,1366 0.075,1367 0.019,1368 6.467,1369 1.667,1370 0.321,1371 93.274,1372 0.22,1373 29.323,1374 0.537,1375 162,1376 514.684,1377 182.122,1378 490.646,1379 668.71,1380 458,1381 190,1382 494.968,1383 211.482,1384 503.332,1385 733.83,1386 467,1387 7.7} {0 CHEMBL1964413,1 1.816,2 11.172,3 5.071,4 25.718,5 95.845,6 10.283,7 0.656,8 3.873,9 3.977,10 3.672,11 3.376,12 5.212,13 3.441,14 4.431,15 4.56,16 4.202,17 3.766,18 6.472,19 3.842,20 4.52,21 4.673,22 4.065,23 3.855,24 5.949,25 3.884,26 4.707,27 4.909,28 4.091,29 3.778,30 6.178,31 3.843,32 4.614,33 4.83,34 4.037,35 3.585,36 6.124,37 3.699,38 4.495,39 4.667,40 4.199,41 3.439,42 6.811,43 3.591,44 4.3,45 4.525,46 3.702,47 3.307,48 5.877,49 3.377,50 3.937,51 4.09,52 3.556,53 3.258,54 5.533,55 3.303,56 0.42,57 1.147,58 2.859,59 3.604,60 70.086,61 2.963,62 1.486,63 2.331,64 8.595,65 5.949,66 254.956,67 4.748,68 0.92,69 1.877,70 8.403,71 7.09,72 115.877,73 6.745,74 1.554,75 1.996,76 18.287,77 8.044,78 227.826,79 7.556,80 1.607,81 1.806,82 19.883,83 6.7,84 250.269,85 6.025,86 2.158,87 2.483,88 13.837,89 5.578,90 369.685,91 4.263,92 1.156,93 1.155,94 14.633,95 4.716,96 158.817,97 4.551,98 0.573,99 1.107,100 5.657,101 3.977,102 71.128,103 3.888,104 41,105 49,106 0.316,107 0.649,108 0.766,109 0.842,110 0.877,111 0.877,112 3.408,113 0.771,114 -5.6,115 -5.47,116 -5.1,119 45,125 1,132 2,142 6,143 5,145 1,146 1,151 1,152 1,166 2,168 1,172 10,174 1,175 3,180 2,183 10,188 9,193 2,196 5,200 13,205 1,213 9,221 1,224 1,225 3,228 1,233 4,238 2,239 1,242 2,247 8,261 9,266 1,271 1,274 6,278 1284,279 18.632,280 18.632,281 18.632,282 18.632,283 18.632,284 16.317,285 15.723,286 10.473,287 19.293,288 15.822,289 15.822,290 15.822,291 15.822,292 15.822,293 12.24,294 21.746,295 4.998,296 17.048,297 3.506,298 1.594,299 0.925,300 0.488,301 0.288,302 0.288,303 4.095,307 1,308 1,309 700,310 4.123,313 153.472,314 179.477,317 126.658,321 1.696,322 66.349,325 0.75,326 1,327 1,328 0.4,329 0.5,330 1,331 1,332 0.81,333 69.5,334 324,335 4.612,336 4.489,337 7.278,338 4.321,339 3.43,340 4.392,341 3.825,342 12.363,343 3.104,344 4.469,345 4.442,346 7.084,347 4.086,348 3.248,349 4.123,350 3.825,351 11.564,352 2.971,353 4.323,354 3.058,355 6.306,356 4.006,357 3.025,358 3.837,359 0.522,360 9.638,361 2.734,362 4.178,363 2.923,364 6.033,365 3.73,366 2.768,367 3.486,369 8.729,370 2.654,371 3.709,372 2.685,373 5.675,374 3.385,375 2.452,376 3.028,378 7.698,379 2.253,380 3.487,381 2.276,382 5.198,383 3.062,384 2.12,385 2.75,387 6.397,388 1.958,389 3.034,390 1.908,391 4.623,392 2.534,393 1.602,394 2.301,396 4.772,397 1.507,398 2.951,399 1.534,400 4.41,401 2.517,402 1.534,403 2.084,405 4.268,406 1.452,407 2.772,408 1.448,409 4.226,410 2.291,411 1.337,412 1.881,414 3.718,415 1.265,416 2.583,417 1.306,418 4.06,419 2.116,420 1.153,421 1.616,423 3.143,424 1.093,425 2.515,426 1.041,427 3.435,428 1.993,429 1.029,430 1.522,432 2.364,433 0.989,434 2.187,435 0.711,436 3.279,437 1.681,438 0.7,439 1.035,441 1.698,442 0.686,443 1.889,444 0.51,445 3.094,446 1.367,447 0.396,448 0.589,450 0.986,451 0.384,452 1.362,453 0.51,454 3.02,455 1.062,456 0.1,457 0.121,459 0.281,460 0.095,461 0.801,462 0.51,463 2.81,464 0.374,465 -0.608,466 -0.79,468 -1.691,469 -0.592,470 12.714,471 0.438,472 1.149,473 0.04,474 36.75,475 1.267,476 18,477 0.621,478 18.75,479 0.647,480 22.509,481 0.776,482 32.286,483 0.807,484 33.089,485 1.141,486 7.776,487 0.268,488 5.834,489 0.201,490 0.135,491 0.079,492 0.307,494 6,497 0.549,498 0.825,499 0.503,500 0.923,501 0.605,502 0.813,503 0.417,504 0.663,505 0.576,506 0.843,507 0.347,508 0.861,509 0.61,510 0.946,511 0.83,512 1.258,513 0.524,514 1.289,515 1.05,516 1.093,517 1.128,518 1.128,519 0.984,520 1.158,521 1.261,522 1.084,523 1.167,524 0.875,525 1.285,526 0.866,527 0.67,528 0.768,529 0.824,530 0.9,531 0.634,532 0.962,533 1.017,534 0.649,535 1.188,536 0.622,537 1.112,538 0.836,539 0.61,540 0.844,541 0.704,542 1.094,543 0.634,544 1.086,545 9,546 0.235,547 4.222,548 2.292,549 1.809,550 1.642,551 0.592,552 0.509,553 0.288,554 0.302,555 10910,556 48328,557 2.033,558 27.5,560 8,561 1,562 1,563 1,568 1.718,569 1.851,570 3.421,571 -0.2,578 72.645,579 1.816,580 3.728,581 4.396,582 4.834,583 5.034,584 5.034,585 2.867,586 4.392,587 4.832,588 3.643,589 1479.15,590 8.407,591 20026.2,593 1,596 212.877,597 1.768,598 4.749,599 0.281,600 0.01,601 0.086,602 0.051,603 0.042,604 0.041,605 0.014,606 0.018,607 0.011,608 0.011,609 0.567,610 0.5,611 0.88,612 0.904,613 147.418,614 0.002,615 0.031,616 0.014,617 0.031,618 -0.083,619 0.029,620 0.412,621 0.331,622 0.127,623 0.134,624 0.476,625 -0.009,626 -0.012,627 -0.172,628 -0.07,629 -0.291,630 0.038,631 -0.277,632 -0.192,633 -0.247,634 -0.097,635 -0.169,636 -0.142,637 -0.092,638 -0.244,639 -0.156,640 -0.053,641 0.07,642 -0.269,643 0.163,644 0.589,645 0.406,646 0.192,647 0.054,648 0.651,649 -0.13,650 -0.049,651 0.238,652 -0.088,653 0.289,654 -0.162,655 0.175,656 0.115,657 0.02,658 0.113,659 -0.094,660 0.072,661 -0.071,662 6.188,663 5.286,664 0.69,665 27.201,666 1.072,667 1.176,668 4.367,669 19.066,670 0.681,671 3.497,672 3.912,673 4.127,674 4.382,675 4.575,676 4.745,677 4.812,678 4.934,679 4.927,680 5.043,681 6.807,682 0.714,683 411.34,684 3.497,685 5.094,686 5.948,687 6.862,688 7.736,689 8.646,690 9.527,691 10.436,692 11.319,693 12.227,694 12.5,702 2,704 3,708 2,709 8,710 3,711 1,714 5,715 1,716 21,735 40,737 21,738 2,739 32,741 43,742 18,743 15,744 6,745 6,748 4,749 5,754 2,759 2,762 15,763 3,781 6,783 11,784 9,785 1,786 11,792 5,796 0.75,806 1,814 2,815 2,818 1,842 3,848 6,850 29,856 1,863 2,869 1,871 6,879 15.667,880 7.324,881 5.917,882 2.183,884 4.127,885 1.529,886 1.038,887 4.534,888 11.923,889 3.773,890 4.454,891 5.056,892 5.668,893 6.148,894 6.546,895 6.977,896 7.39,897 7.637,898 8.036,899 1,900 45,901 12.27,903 6.864,904 8.713,905 18.877,907 15.722,909 3.213,910 93.167,913 1,914 117.711,915 112.793,916 68.306,919 89.761,921 112.793,922 117.711,923 158.067,925 2.106,926 65.905,927 61.638,928 135.32,929 13.915,930 94.169,931 15.519,932 117.711,933 181.099,934 89.761,937 117.711,938 89.761,941 47.868,942 83.364,943 49.867,945 207.472,946 68.306,947 112.793,950 133.23,951 22.322,952 76.729,953 16.663,954 139.627,955 117.711,956 158.067,957 112.793,959 0.613,960 0.334,961 0.167,962 0.088,963 26,964 12,965 0.07,966 3,967 1,968 1.1,969 3.956,970 261.546,971 0.1,972 20,973 131.372,979 19.322,980 6.805,981 3.931,982 1.625,983 139.627,984 9.884,985 11.648,986 2.794,989 -1.972,990 1.146,991 16.663,992 388.571,993 42.5,1005 42.887,1006 47.021,1007 0.341,1008 0.7,1009 0.826,1010 0.908,1011 0.946,1012 0.946,1013 5.058,1014 1.534,1015 6.028,1016 4.772,1017 4.595,1018 5.142,1019 3.719,1020 6.929,1021 4.46,1022 6.333,1023 1.337,1024 7.66,1025 4.268,1026 4.575,1027 5.139,1028 4.586,1029 8.247,1030 4.226,1031 7.691,1032 1.153,1033 9.404,1034 3.718,1035 6.368,1036 7.424,1037 6.112,1038 11.228,1039 6.074,1040 9.084,1041 1.029,1042 11.214,1043 3.143,1044 7.091,1045 8.182,1046 7.382,1047 13.286,1048 6.589,1049 10.503,1050 0.7,1051 13.066,1052 2.364,1053 8.468,1054 9.987,1055 8.751,1056 15.901,1057 7.975,1058 11.942,1059 0.396,1060 14.945,1061 1.698,1062 9.473,1063 11.093,1064 10.082,1065 18.221,1066 8.809,1067 13.395,1068 0.1,1069 16.844,1070 0.986,1071 10.72,1072 12.697,1073 11.427,1074 20.737,1075 10.017,1076 3.43,1077 -0.608,1078 18.756,1079 0.281,1080 11.837,1081 13.975,1082 12.767,1083 23.157,1084 10.994,1085 3.248,1086 12.363,1087 20.68,1088 -1.691,1089 13.044,1090 15.491,1091 14.11,1092 25.648,1093 12.133,1094 3.025,1095 11.564,1096 22.613,1097 4.392,1098 14.207,1099 16.854,1100 15.451,1101 28.109,1102 13.176,1103 2.768,1104 9.638,1105 24.552,1106 4.123,1107 15.405,1108 18.331,1109 16.793,1110 30.597,1111 14.289,1112 2.452,1113 8.729,1114 26.498,1115 3.837,1116 16.589,1117 19.739,1118 18.134,1119 33.076,1120 15.363,1121 2.12,1122 7.698,1123 28.447,1124 3.486,1125 17.788,1126 21.201,1127 19.476,1128 35.566,1129 16.469,1130 1.602,1131 6.397,1132 30.401,1133 3.028,1134 18.984,1135 22.632,1136 20.818,1137 38.054,1138 17.559,1139 10410,1140 22152,1141 20.572,1142 27.222,1143 50.953,1144 48.446,1145 49.775,1146 50.314,1147 49.787,1148 65.532,1149 16.344,1150 155.239,1151 46.288,1152 5.412,1153 6.489,1154 6.787,1155 5.347,1156 5.43,1157 7.392,1158 5.335,1159 19.924,1160 5.104,1161 17.091,1162 1.592,1163 1.514,1164 1.555,1165 1.572,1166 1.556,1167 2.048,1168 0.511,1169 4.851,1170 1.447,1171 4.123,1172 4.166,1173 4.088,1174 4.016,1175 8.518,1176 4.027,1177 3.996,1178 4.031,1179 3.967,1180 3.906,1181 8.509,1182 3.912,1183 3.805,1184 3.87,1185 3.781,1186 3.573,1187 7.999,1188 3.615,1189 3.441,1190 3.481,1191 3.48,1192 3.188,1193 7.999,1194 3.225,1195 3.32,1196 3.385,1197 3.272,1198 3.067,1199 7.999,1200 3.111,1201 3.191,1202 3.248,1203 3.163,1204 2.941,1205 7.999,1206 2.969,1207 2.954,1208 3.019,1209 2.838,1210 2.791,1211 5.143,1212 2.8,1213 2.834,1214 2.919,1215 2.714,1216 2.557,1217 5.034,1218 2.586,1219 0.144,1220 0.14,1221 0.227,1222 0.135,1223 0.107,1224 4.612,1225 0.137,1226 4.489,1227 0.12,1228 7.278,1229 0.386,1230 4.321,1231 0.097,1232 3.43,1233 4.392,1234 3.825,1235 12.363,1236 3.104,1237 1.957,1238 1.935,1239 2.036,1240 2.052,1241 1.222,1242 2.044,1243 1.937,1244 1.916,1245 2.015,1246 2.019,1247 1.17,1248 2.019,1249 1.477,1250 1.42,1251 1.617,1252 1.734,1253 0.791,1254 1.694,1255 1.313,1256 1.232,1257 1.465,1258 1.645,1259 0.499,1260 1.595,1261 1.249,1262 1.21,1263 1.354,1264 1.517,1265 0.406,1266 1.415,1267 1.123,1268 1.081,1269 1.206,1270 1.426,1271 0.268,1272 1.374,1273 0.963,1274 0.905,1275 1.112,1276 1.302,1277 0.158,1278 1.223,1279 0.82,1280 0.736,1281 1.039,1282 1.068,1283 0.044,1284 1.083,1285 4.174,1287 5.565,1288 3.045,1289 7.119,1290 5.283,1291 8.747,1292 7.273,1293 10.417,1297 78.232,1301 -0.381,1308 -9.809,1312 28.568,1313 72.645,1314 149.103,1315 175.858,1316 193.367,1317 201.367,1318 201.367,1319 74.38,1320 7.796,1321 59.39,1322 59.39,1323 22,1324 12.748,1325 4.459,1326 3.524,1327 44.81,1328 120,1329 104,1330 0.184,1331 168.673,1332 294.58,1333 403.322,1334 26948,1335 15,1336 20.811,1337 0.718,1338 0.496,1339 15.811,1340 14.383,1341 13.609,1342 0.425,1343 0.257,1344 7.984,1345 12.651,1346 7.954,1347 6.471,1348 11.187,1349 8.221,1350 14.308,1351 0.292,1352 0.129,1353 10.355,1354 6.341,1355 10.545,1356 0.173,1357 0.071,1358 8.824,1359 4.35,1360 8.714,1361 0.11,1362 0.037,1363 7.429,1364 2.939,1365 6.659,1366 0.069,1367 0.02,1368 5.553,1369 1.908,1370 0.29,1371 88.631,1372 0.22,1373 27.511,1374 0.501,1375 162,1376 875.58,1377 204.721,1378 685.096,1379 876.91,1380 630,1381 191,1382 611.558,1383 222.416,1384 578.672,1385 880.52,1386 540,1387 5.9} {0 CHEMBL1964441,1 1.568,2 14.406,3 4.159,4 17.3,5 132.621,6 8.029,7 0.629,8 4.1,9 4.222,10 3.765,11 3.724,12 5.266,13 3.68,14 4.566,15 4.728,16 4.105,17 4.099,18 5.709,19 4.027,20 4.75,21 4.927,22 4.166,23 4.215,24 5.853,25 4.123,26 4.823,27 5.028,28 4.202,29 4.205,30 5.929,31 4.101,32 4.776,33 4.971,34 4.052,35 4.123,36 5.919,37 4.016,38 4.719,39 4.931,40 3.975,41 4.037,42 5.836,43 3.94,44 4.651,45 4.85,46 3.856,47 3.996,48 5.727,49 3.889,50 4.638,51 4.869,52 3.743,53 3.952,54 5.635,55 3.813,56 0.053,57 0.818,58 10.502,59 4.648,60 11.079,61 5.76,62 0.252,63 1.277,64 19.748,65 8.167,66 26.485,67 10.316,68 0.151,69 1.488,70 23.625,71 9.854,72 30.203,73 12.392,74 0.151,75 1.587,76 29.262,77 11.203,78 33.463,79 14.383,80 0.237,81 1.503,82 29.345,83 10.648,84 46.415,85 12.573,86 0.27,87 1.434,88 28.593,89 9.839,90 43.925,91 12.044,92 0.217,93 1.324,94 23.03,95 8.613,96 38.999,97 10.959,98 0.223,99 1.296,100 26.318,101 9.969,102 31.357,103 12.745,104 21,105 48,106 0.254,107 0.646,108 0.789,109 0.854,110 0.868,111 0.874,112 3.502,113 0.94,114 -4.65,115 -4.57,116 -4.29,119 45.5,120 1,124 1,125 1,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 13,175 2,177 1,178 3,179 1,180 6,183 18,185 1,188 2,193 6,196 13,198 1,200 7,205 11,208 9,210 3,213 6,218 8,221 6,223 3,225 5,228 1,230 9,233 9,235 3,239 1,244 3,247 12,253 1,256 1,257 2,258 3,260 2,261 12,266 1,271 4,274 8,278 1874,279 21.8,280 21.8,281 21.8,282 21.8,283 21.8,284 18.715,285 23.684,286 13.121,287 22.23,288 17.274,289 17.274,290 17.274,291 17.274,292 17.274,293 12.628,294 28.369,295 6.224,296 17.918,297 4.214,298 1.797,299 0.914,300 0.514,301 0.427,302 0.391,303 4.198,308 1,309 988,310 3.674,313 75.712,314 316.912,317 143.553,321 2.369,322 22.769,325 1,326 1,327 1,328 0.6,330 1,331 1,332 0.8,333 67.5,334 461,335 4.732,336 3.563,337 6.972,338 4.252,339 3.286,340 4.712,341 1.656,342 11.822,343 3.176,344 4.156,345 3.364,346 6.078,347 3.736,348 2.761,349 3.74,350 0.867,351 8.757,352 2.688,353 4.074,354 2.886,355 5.63,356 3.66,357 2.675,358 3.66,359 0.247,360 7.806,361 2.629,362 3.936,363 2.74,364 5.535,365 3.454,366 2.474,367 3.33,369 7.244,370 2.417,371 3.704,372 2.601,373 5.373,374 3.209,375 2.234,376 2.98,378 6.76,379 2.18,380 3.469,381 2.415,382 4.903,383 3.056,384 2.09,385 2.776,387 5.71,388 2.016,389 3.435,390 2.275,391 4.718,392 2.781,393 1.84,394 2.596,396 4.973,397 1.742,398 3.186,399 2.136,400 4.505,401 2.684,402 1.707,403 2.343,405 4.595,406 1.629,407 3.076,408 1.872,409 4.195,410 2.541,411 1.584,412 2.136,414 3.394,415 1.511,416 2.659,417 1.24,418 3.723,419 2.18,420 1.184,421 1.73,423 2.948,424 1.179,425 2.563,426 1.229,427 3.534,428 2.049,429 1.092,430 1.589,432 2.586,433 1.035,434 2.5,435 1.088,436 3.479,437 2,438 1,439 1.5,441 2.275,442 1,443 2.326,444 1,445 3.414,446 1.819,447 0.936,448 1.259,450 2.244,451 0.814,452 2.206,453 0.926,454 2.97,455 1.578,456 0.693,457 0.95,459 1.317,460 0.601,461 1.374,462 0.645,463 2.941,464 1.04,465 0.102,466 0.118,468 0.209,469 0.095,470 15.667,471 0.49,472 0.712,473 0.022,474 45,475 1.406,476 25,477 0.781,478 20,479 0.625,480 24.75,481 0.773,482 32.333,483 0.588,484 34.602,485 1.081,486 8.989,487 0.281,488 6.557,489 0.205,490 0.111,492 0.319,497 0.947,498 1.039,499 0.769,500 0.802,501 0.78,502 0.795,503 0.62,504 0.854,505 0.853,506 0.839,507 0.533,508 0.829,509 1.044,510 1.056,511 0.913,512 0.944,513 1.011,514 0.984,515 0.815,516 1.157,517 0.885,518 1.06,519 0.812,520 0.957,521 1.511,522 1.132,523 1.285,524 1.161,525 1.562,526 1.063,527 1.332,528 1.048,529 1.178,530 1.072,531 1.335,532 0.954,533 1.331,534 1.123,535 1.091,536 1.065,537 1.426,538 1.129,539 0.671,540 0.931,541 1.15,542 1.139,543 0.681,544 1.068,545 6,546 0.145,547 3.111,548 2.153,549 1.824,550 1.059,551 0.645,552 0.436,553 0.327,554 0.233,555 15476,556 41095,557 2.082,558 41.8,559 3,560 13,561 1,562 1,563 5,568 1.741,569 1.959,570 3.774,571 2.314,578 86.227,579 1.568,580 3.984,581 4.867,582 5.267,583 5.354,584 5.39,585 3.296,586 4.726,587 4.965,588 3.966,589 1967.36,590 8.666,591 29889.4,593 1,596 317.975,597 1.366,598 4.936,599 0.171,600 0.006,601 0.065,602 0.044,603 0.038,604 0.025,605 0.016,606 0.012,607 0.01,608 0.008,609 0.396,611 1,612 1.156,613 171.182,614 -0.127,615 0.063,616 0.036,617 0.106,618 -0.134,619 0.078,620 0.231,621 0.207,622 0.068,623 0.13,624 0.135,625 0.097,626 -0.121,627 -0.04,628 -0.012,629 0.012,630 -0.108,631 -0.044,632 0.078,633 -0.171,634 0.153,635 -0.029,636 0.106,637 0.033,638 -0.205,639 -0.109,640 -0.163,641 -0.107,642 -0.116,643 -0.107,644 -0.103,645 -0.023,646 -0.076,647 -0.04,648 -0.048,649 0.009,650 -0.221,651 -0.12,652 -0.186,653 -0.134,654 -0.266,655 -0.19,656 0.112,657 0.039,658 -0.091,659 -0.096,660 0.052,661 -0.051,662 1.956,663 5.309,664 0.656,665 40.41,666 0.998,667 1.116,668 3.417,669 11.678,670 0.709,671 3.584,672 3.892,673 4.159,674 4.454,675 4.663,676 4.754,677 4.868,678 5.037,679 5.081,680 5.153,681 8.203,682 0.668,683 441.6,684 3.584,685 5.118,686 5.964,687 6.843,688 7.71,689 8.6,690 9.479,691 10.374,692 11.261,693 12.162,694 9.1,696 1,698 1,701 2,704 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 55,737 24,738 2,739 35,741 58,742 25,743 19,744 4,745 8,748 4,749 5,753 1,754 1,761 2,762 20,763 3,767 1,772 1,776 1,783 23,784 6,785 5,786 7,787 1,792 5,796 0.75,797 1,808 1,814 1,815 3,818 1,822 2,837 1,842 3,844 1,846 2,850 32,851 1,856 1,858 3,864 1,867 1,870 2,872 1.8,875 1,879 16.333,880 10.45,881 7.139,882 3.054,884 4.711,885 1.587,886 1.022,887 6.818,888 12.733,889 3.912,890 4.535,891 5.16,892 5.82,893 6.374,894 6.751,895 7.204,896 7.686,897 8.001,898 8.37,899 0.9,900 49,901 11.757,903 4.905,904 7.703,905 22.404,907 17.984,909 2.203,910 70.5,914 211.88,915 205.351,916 103.715,918 25.145,920 31.278,921 174.073,922 237.025,923 103.715,924 17.222,925 38.127,926 134.367,927 53.702,928 29.876,929 53.182,930 219.615,932 211.88,933 277.788,934 25.145,935 31.278,937 211.88,938 25.145,941 74.011,942 152.931,943 50.847,944 31.278,945 211.88,946 128.86,947 205.351,950 211.88,951 61.562,952 109.728,953 88.093,954 74.828,955 211.88,956 128.86,957 205.351,959 0.572,960 0.328,961 0.184,962 0.101,963 22,964 10,965 0.069,966 4,967 1,968 1.095,969 4.395,970 284.432,971 0.095,972 21,973 154,975 1,979 21.978,980 9.926,981 5.168,982 1.931,983 128.86,984 19.112,985 4.344,988 1.602,989 5.878,991 86.929,992 546.091,993 49,998 12.309,1002 -0.289,1005 54.865,1006 61.358,1007 0.271,1008 0.689,1009 0.842,1010 0.911,1011 0.926,1012 0.932,1013 5.139,1014 1.707,1015 5.938,1016 4.973,1017 4.575,1018 5.223,1019 1.988,1020 6.742,1021 4.507,1022 6.369,1023 1.584,1024 7.486,1025 4.595,1026 4.111,1027 4.997,1028 1.195,1029 7.639,1030 4.038,1031 7.686,1032 1.184,1033 9.137,1034 3.394,1035 6.151,1036 7.481,1037 2.511,1038 10.772,1039 6.028,1040 9.04,1041 1.092,1042 10.851,1043 2.948,1044 6.524,1045 8.122,1046 2.324,1047 12.572,1048 6.383,1049 10.425,1050 1,1051 12.608,1052 2.586,1053 8.021,1054 10.052,1055 3.276,1056 15.238,1057 7.843,1058 11.835,1059 0.936,1060 14.398,1061 2.275,1062 8.8,1063 11.138,1064 3.407,1065 17.43,1066 8.593,1067 13.263,1068 0.693,1069 16.213,1070 2.244,1071 10.081,1072 12.832,1073 4.166,1074 19.952,1075 9.842,1076 3.286,1077 0.102,1078 18.049,1079 1.317,1080 11.063,1081 14.152,1082 4.464,1083 22.309,1084 10.788,1085 2.761,1086 11.822,1087 19.901,1088 0.209,1089 12.261,1090 15.747,1091 5.114,1092 24.789,1093 11.955,1094 2.675,1095 8.757,1096 21.768,1097 4.712,1098 13.343,1099 17.184,1100 5.504,1101 27.213,1102 12.998,1103 2.474,1104 7.806,1105 23.646,1106 3.74,1107 14.516,1108 18.742,1109 6.092,1110 29.682,1111 14.138,1112 2.234,1113 7.244,1114 25.535,1115 3.66,1116 15.646,1117 20.237,1118 6.531,1119 32.132,1120 15.23,1121 2.09,1122 6.76,1123 27.432,1124 3.33,1125 16.814,1126 21.783,1127 7.084,1128 34.6,1129 16.364,1130 1.84,1131 5.71,1132 29.336,1133 2.98,1134 17.969,1135 23.305,1136 7.551,1137 37.061,1138 17.482,1139 14825,1140 24325,1141 23.463,1142 38.983,1143 52.844,1144 53.408,1145 53.654,1146 51.293,1147 51.451,1148 70.997,1149 5.541,1150 145.626,1151 49.555,1152 5.598,1153 5.563,1154 6.881,1155 5.358,1156 5.286,1157 7.712,1158 2.912,1159 19.202,1160 5.176,1161 15.577,1162 1.51,1163 1.526,1164 1.533,1165 1.466,1166 1.47,1167 2.028,1168 0.158,1169 4.161,1170 1.416,1171 4.117,1172 4.128,1173 4.34,1174 4.126,1175 7.431,1176 4.086,1177 3.934,1178 3.968,1179 3.884,1180 3.861,1181 5.194,1182 3.857,1183 3.847,1184 3.878,1185 3.805,1186 3.787,1187 4.823,1188 3.78,1189 3.596,1190 3.669,1191 3.561,1192 3.475,1193 4.765,1194 3.467,1195 3.443,1196 3.493,1197 3.398,1198 3.202,1199 4.734,1200 3.228,1201 3.289,1202 3.336,1203 3.377,1204 3.133,1205 4.487,1206 3.131,1207 3.19,1208 3.272,1209 3.1,1210 3.003,1211 4.249,1212 2.99,1213 3.144,1214 3.222,1215 2.966,1216 2.98,1217 4.133,1218 2.968,1219 0.135,1220 0.102,1221 0.199,1222 0.121,1223 0.094,1224 4.732,1225 0.135,1226 3.563,1227 0.047,1228 6.972,1229 0.338,1230 4.252,1231 0.091,1232 3.286,1233 4.712,1234 1.656,1235 11.822,1236 3.176,1237 1.964,1238 1.945,1239 2.044,1240 2.047,1241 1.176,1242 2.046,1243 1.913,1244 1.884,1245 2.027,1246 2.006,1247 1.131,1248 2.013,1249 1.84,1250 1.822,1251 1.891,1252 1.929,1253 1.013,1254 1.931,1255 1.54,1256 1.485,1257 1.763,1258 1.775,1259 0.845,1260 1.779,1261 1.402,1262 1.372,1263 1.562,1264 1.615,1265 0.646,1266 1.59,1267 1.273,1268 1.22,1269 1.488,1270 1.445,1271 0.611,1272 1.48,1273 1.152,1274 1.08,1275 1.398,1276 1.386,1277 0.501,1278 1.411,1279 1.12,1280 1.059,1281 1.303,1282 1.287,1283 0.301,1284 1.333,1285 4.263,1287 5.572,1288 2.398,1289 7.074,1290 4.727,1291 8.672,1292 6.88,1293 10.325,1295 3.843,1299 6.212,1301 0.607,1303 8.715,1311 6.237,1312 36.75,1313 86.227,1314 219.146,1315 267.71,1316 289.71,1317 294.465,1318 296.465,1319 49.725,1320 8.022,1321 92.07,1322 120.31,1323 23,1324 12.687,1325 4.644,1326 3.907,1327 52.187,1328 157,1329 168,1330 0.161,1331 232.048,1332 396,1333 557.957,1334 37930,1336 22.501,1337 0.703,1338 0.582,1339 22.855,1340 18.638,1341 15.546,1342 0.444,1343 0.313,1344 10.067,1345 14.702,1346 9.657,1347 8.11,1348 16,1349 10.971,1350 13.788,1351 0.287,1352 0.17,1353 14.312,1354 8.148,1355 11.269,1356 0.179,1357 0.093,1358 11.989,1359 5.856,1360 9.79,1361 0.115,1362 0.052,1363 10.732,1364 4.399,1365 7.706,1366 0.073,1367 0.027,1368 8.532,1369 2.884,1370 0.26,1371 100.558,1372 0.206,1373 30.481,1374 0.422,1375 166,1376 448.552,1377 198.628,1378 472.442,1379 652.69,1380 442,1381 194,1382 469.698,1383 224.868,1384 500.52,1385 726.75,1386 469,1387 5.3} {0 CHEMBL1964444,1 1.818,2 9.76,3 3.955,4 15.64,5 85.212,6 9.114,7 0.63,8 3.773,9 3.883,10 3.482,11 3.299,12 5.06,13 3.333,14 4.282,15 4.424,16 3.943,17 3.645,18 6.086,19 3.675,20 4.447,21 4.622,22 3.897,23 3.736,24 5.868,25 3.743,26 4.488,27 4.693,28 3.82,29 3.657,30 5.861,31 3.661,32 4.423,33 4.623,34 3.761,35 3.527,36 5.895,37 3.551,38 4.338,39 4.549,40 3.546,41 3.391,42 5.756,43 3.41,44 4.19,45 4.391,46 3.576,47 3.312,48 5.975,49 3.315,50 4.05,51 4.255,52 3.302,53 3.278,54 5.357,55 3.262,56 0.197,57 0.807,58 4.732,59 3.18,60 29.344,61 3.211,62 0.87,63 1.557,64 10.695,65 5.367,66 136.443,67 5.699,68 0.622,69 1.34,70 13.405,71 5.737,72 66.956,73 6.551,74 0.687,75 1.32,76 16.815,77 6.693,78 87.392,79 7.713,80 0.768,81 1.196,82 16.113,83 5.731,84 88.461,85 6.476,86 0.788,87 1,88 16.079,89 5.153,90 113.154,91 5.273,92 0.861,93 0.86,94 13.739,95 4.594,96 134.417,97 5.744,98 0.526,99 0.84,100 11.582,101 4.314,102 78.781,103 4.559,104 27,105 39,106 0.323,107 0.656,108 0.777,109 0.878,110 0.888,111 0.888,112 3.267,113 0.812,114 -4.22,115 -4.16,116 -3.93,119 44.7,120 1,132 1,142 7,143 2,144 1,145 1,146 2,147 1,159 1,172 7,175 5,178 3,179 1,180 3,183 8,188 3,193 2,196 5,199 1,200 4,203 2,205 6,208 2,213 3,218 4,221 2,224 1,225 5,228 1,230 3,233 2,239 3,244 2,247 3,252 1,253 3,261 5,266 3,274 5,278 862,279 16.212,280 16.212,281 16.212,282 16.212,283 16.212,284 14.06,285 18.603,286 9.425,287 16.677,288 13.356,289 13.356,290 13.356,291 13.356,292 13.356,293 10.102,294 25.872,295 4.504,296 14.194,297 3.43,298 1.557,299 0.873,300 0.303,301 0.25,302 0.25,303 3.944,306 1,307 1,308 1,309 517,310 3.742,314 214.494,318 111.547,321 1.488,322 41.624,324 1,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 57.5,334 244,335 4.524,336 4.46,337 7.116,338 4.168,339 3.32,340 4.463,341 3.825,342 11.69,343 3.011,344 4.453,345 3.57,346 6.531,347 4.05,348 3.069,349 3.869,350 1.656,351 10.313,352 2.835,353 3.89,354 3.068,355 5.533,356 3.538,357 2.597,358 3.184,359 0.247,360 7.525,361 2.431,362 3.67,363 2.586,364 5.269,365 3.272,366 2.302,367 3.07,369 6.587,370 2.227,371 3.509,372 2.426,373 4.96,374 3.08,375 2.108,376 2.859,378 5.816,379 2.027,380 3.304,381 2.068,382 4.775,383 2.829,384 1.855,385 2.553,387 5.238,388 1.795,389 2.904,390 1.843,391 4.434,392 2.43,393 1.488,394 2.097,396 4.233,397 1.384,398 2.873,399 1.433,400 4.068,401 2.385,402 1.412,403 1.991,405 3.452,406 1.364,407 2.57,408 1.189,409 3.49,410 2.062,411 1.112,412 1.6,414 2.54,415 1.043,416 2.382,417 1.057,418 3.404,419 1.9,420 0.924,421 1.323,423 2.214,424 0.899,425 1.445,426 0.6,427 2.941,428 1.083,429 0.131,430 0.162,432 0.334,433 0.124,434 1.182,435 0.51,436 2.724,437 0.796,438 -0.178,439 -0.226,441 -0.45,442 -0.171,443 1.005,444 0.51,445 2.472,446 0.568,447 -0.424,448 -0.572,450 -0.998,451 -0.416,452 0.797,453 0.318,454 2.364,455 0.323,456 -0.674,457 -0.951,459 -1.891,460 -0.664,461 0.669,462 -0.048,463 2.277,464 0.212,465 -0.743,466 -1,468 -1.966,469 -0.7,470 11.29,471 0.452,472 0.846,473 0.034,474 35,475 1.4,476 18.5,477 0.74,478 16.5,479 0.66,480 16.614,481 0.665,482 27.11,483 0.713,484 27.773,485 1.111,486 7.224,487 0.289,488 4.601,489 0.184,490 0.15,491 0.044,492 0.31,494 3,497 0.609,498 0.992,499 0.602,500 0.985,501 0.599,502 0.848,503 0.362,504 0.762,505 0.6,506 0.95,507 0.369,508 0.926,509 0.642,510 0.806,511 0.885,512 1.009,513 0.591,514 1.047,515 0.818,516 0.965,517 0.913,518 1.083,519 0.781,520 1.058,521 0.942,522 0.899,523 0.985,524 1.053,525 0.976,526 1.046,527 1.257,528 0.853,529 1.258,530 0.877,531 1.271,532 0.983,533 0.468,534 0.609,535 0.745,536 0.819,537 0.517,538 0.898,539 1.041,540 0.747,541 1.124,542 0.747,543 1.052,544 0.896,545 7,546 0.178,547 2.889,548 1.875,549 1.547,550 0.819,551 0.609,552 0.203,553 0.23,554 0.217,555 7007,556 26816,557 2.005,558 34.2,559 3,560 7,562 1,563 2,568 1.679,569 1.84,570 3.289,571 0.352,573 1,578 69.074,579 1.818,580 3.691,581 4.375,582 4.945,583 4.998,584 4.998,585 2.661,586 3.894,587 4.622,588 3.471,589 1041.29,590 7.981,591 12817.5,593 1,594 1,595 1,596 199.421,597 1.673,598 4.546,599 0.259,600 0.009,601 0.074,602 0.049,603 0.045,604 0.026,605 0.024,606 0.008,607 0.011,608 0.01,609 0.517,610 0.5,611 1,612 0.836,613 121.005,614 -0.065,615 -0.093,616 0.005,617 -0.014,618 -0.106,619 0.023,620 0.474,621 0.262,622 0.176,623 0.024,624 0.435,625 -0.039,626 0.016,627 -0.004,628 -0.075,629 -0.093,630 0.022,631 -0.122,632 -0.032,633 -0.134,634 0.034,635 -0.132,636 -0.018,637 -0.056,638 -0.034,639 -0.053,640 -0.01,641 -0.123,642 -0.054,643 -0.081,644 -0.252,645 0.004,646 -0.236,647 0.036,648 -0.233,649 -0.034,650 0.428,651 0.169,652 0.264,653 0.121,654 0.421,655 0.104,656 -0.198,657 0.096,658 -0.172,659 0.218,660 -0.198,661 0.104,662 5.826,663 5.108,664 0.64,665 19.139,666 1.041,667 1.15,668 2.988,669 8.931,670 0.68,671 3.332,672 3.689,673 3.871,674 4.111,675 4.344,676 4.304,677 4.382,678 4.331,679 4.443,680 4.357,681 6.173,682 0.687,683 346.34,684 3.332,685 4.89,686 5.72,687 6.608,688 7.459,689 8.344,690 9.202,691 10.084,692 10.947,693 11.826,694 10.5,701 2,704 2,708 2,709 8,710 2,714 4,716 17,735 38,737 18,738 1,739 27,741 40,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 2,759 1,762 15,763 2,767 1,772 1,776 1,780 1,781 3,783 13,784 8,785 2,786 8,792 4,796 0.667,797 1,808 2,815 3,819 1,842 2,846 1,848 3,850 25,858 2,863 1,871 3,872 2.6,875 1,879 13.583,880 7.162,881 5.306,882 2.081,884 3.342,885 1.471,886 1.003,887 4.495,888 10.432,889 3.624,890 4.263,891 4.814,892 5.42,893 5.998,894 6.181,895 6.507,896 6.758,897 7.097,898 6.95,899 1,900 38,901 9.711,903 4.655,904 8.417,905 16.539,907 13.226,909 2.917,910 72.917,914 129.482,915 111.986,916 69.593,918 25.145,919 44.88,921 111.986,922 154.627,923 114.473,924 8.825,925 36.022,926 66.334,927 70.487,928 67.344,929 6.604,930 117.711,931 7.76,932 129.482,933 181.578,934 70.025,937 129.482,938 70.025,941 66.555,942 81.453,943 33.571,945 174.362,946 94.737,947 111.986,950 137.242,951 20.02,952 84.206,953 36.022,954 103.596,955 129.482,956 139.618,957 111.986,959 0.595,960 0.325,961 0.17,962 0.099,963 19,964 9,965 0.05,966 2,967 1,968 1.125,969 3.631,970 202.506,971 0.125,972 16,973 111.342,979 17.032,980 6.598,981 3.998,982 1.426,983 139.618,984 12.021,985 7.597,989 0.221,991 36.022,992 381.086,993 36.5,998 12.108,1002 -0.694,1005 39.574,1006 43.713,1007 0.346,1008 0.703,1009 0.834,1010 0.942,1011 0.952,1012 0.952,1013 4.869,1014 1.412,1015 5.759,1016 4.233,1017 4.369,1018 4.949,1019 3.244,1020 6.597,1021 4.254,1022 6.117,1023 1.112,1024 7.345,1025 3.452,1026 4.205,1027 4.879,1028 3.949,1029 7.758,1030 3.927,1031 7.449,1032 0.924,1033 9.043,1034 2.54,1035 6.047,1036 7.196,1037 5.464,1038 10.748,1039 5.785,1040 8.814,1041 0.131,1042 10.807,1043 2.214,1044 6.635,1045 7.873,1046 6.701,1047 12.704,1048 6.19,1049 10.207,1050 -0.178,1051 12.617,1052 0.334,1053 8.044,1054 9.736,1055 8.065,1056 15.304,1057 7.593,1058 11.62,1059 -0.424,1060 14.458,1061 -0.45,1062 8.962,1063 10.795,1064 9.391,1065 17.561,1066 8.344,1067 13.05,1068 -0.674,1069 16.323,1070 -0.998,1071 10.214,1072 12.452,1073 10.736,1074 20.044,1075 9.555,1076 3.32,1077 -0.743,1078 18.206,1079 -1.891,1080 11.278,1081 13.717,1082 12.075,1083 22.412,1084 10.477,1085 3.069,1086 11.69,1087 20.102,1088 -1.966,1089 12.475,1090 15.277,1091 13.417,1092 24.861,1093 11.608,1094 2.597,1095 10.313,1096 22.01,1097 4.463,1098 13.603,1099 16.651,1100 14.758,1101 27.273,1102 12.612,1103 2.302,1104 7.525,1105 23.926,1106 3.869,1107 14.784,1108 18.166,1109 16.1,1110 29.714,1111 13.711,1112 2.108,1113 6.587,1114 25.85,1115 3.184,1116 15.94,1117 19.596,1118 17.441,1119 32.144,1120 14.756,1121 1.855,1122 5.816,1123 27.778,1124 3.07,1125 17.118,1126 21.093,1127 18.783,1128 34.585,1129 15.843,1130 1.488,1131 5.238,1132 29.712,1133 2.859,1134 18.288,1135 22.551,1136 20.124,1137 37.024,1138 16.908,1139 6873,1140 13675,1141 17.394,1142 25.858,1143 41.304,1144 41.118,1145 41.484,1146 40.816,1147 40.635,1148 54.339,1149 11.457,1150 119.887,1151 38.28,1152 5.397,1153 6.46,1154 6.662,1155 5.229,1156 5.32,1157 7.463,1158 5.335,1159 18.669,1160 5.011,1161 14.225,1162 1.53,1163 1.523,1164 1.536,1165 1.512,1166 1.505,1167 2.013,1168 0.424,1169 4.44,1170 1.418,1171 4.081,1172 4.11,1173 4.044,1174 4.009,1175 8.513,1176 4.013,1177 3.909,1178 3.949,1179 3.88,1180 3.773,1181 7.999,1182 3.79,1183 3.572,1184 3.62,1185 3.51,1186 3.438,1187 7.999,1188 3.44,1189 3.422,1190 3.473,1191 3.381,1192 3.14,1193 7.431,1194 3.196,1195 3.271,1196 3.32,1197 3.244,1198 2.987,1199 4.992,1200 3.029,1201 3.07,1202 3.143,1203 2.934,1204 2.903,1205 4.839,1206 2.909,1207 2.905,1208 2.984,1209 2.749,1210 2.746,1211 4.408,1212 2.739,1213 2.74,1214 2.808,1215 2.633,1216 2.527,1217 4.116,1218 2.549,1219 0.168,1220 0.165,1221 0.264,1222 0.154,1223 0.123,1224 4.524,1225 0.165,1226 4.46,1227 0.142,1228 7.116,1229 0.433,1230 4.168,1231 0.112,1232 3.32,1233 4.463,1234 3.825,1235 11.69,1236 3.011,1237 2.043,1238 2.019,1239 2.119,1240 2.132,1241 1.248,1242 2.129,1243 1.838,1244 1.802,1245 1.929,1246 1.996,1247 0.968,1248 1.973,1249 1.541,1250 1.495,1251 1.725,1252 1.715,1253 0.793,1254 1.714,1255 1.268,1256 1.22,1257 1.445,1258 1.575,1259 0.489,1260 1.53,1261 1.108,1262 1.051,1263 1.354,1264 1.409,1265 0.325,1266 1.347,1267 1.041,1268 0.989,1269 1.167,1270 1.287,1271 0.214,1272 1.302,1273 0.889,1274 0.825,1275 1.114,1276 1.106,1277 0.113,1278 1.115,1279 0.679,1280 0.613,1281 0.925,1282 0.943,1284 0.953,1285 4.007,1287 5.352,1289 6.88,1291 8.494,1293 10.151,1295 1.906,1297 38,1303 4.908,1308 -4.576,1312 26.111,1313 69.074,1314 140.26,1315 166.26,1316 187.911,1317 189.911,1318 189.911,1319 51.991,1320 7.089,1321 66.91,1322 66.91,1323 18,1324 12.366,1325 4.248,1326 3.392,1327 41.858,1328 94,1329 70,1330 0.219,1331 160.081,1332 280.12,1333 382.359,1334 11407,1335 7.9,1336 18.027,1337 0.721,1338 0.522,1339 15.527,1340 13.055,1341 11.826,1342 0.438,1343 0.271,1344 7.15,1345 11.205,1346 7.025,1347 5.815,1348 10.614,1349 7.304,1350 11.705,1351 0.3,1352 0.138,1353 9.748,1354 5.364,1355 8.514,1356 0.181,1357 0.073,1358 7.551,1359 3.426,1360 7.046,1361 0.117,1362 0.038,1363 6.528,1364 2.301,1365 5.918,1366 0.078,1367 0.021,1368 5.278,1369 1.562,1370 0.345,1371 75.459,1372 0.24,1373 24.256,1374 0.597,1375 132,1376 604.025,1377 159.335,1378 504.969,1379 656.34,1380 466,1381 152,1382 460.425,1383 172.421,1384 447.357,1385 670.28,1386 419,1387 5.9} {0 CHEMBL1964644,1 1.96,2 9.421,3 1.546,4 2.39,5 70.53,6 9.597,7 0.55,8 3.509,9 3.61,10 3.326,11 3.055,12 4.835,13 3.044,14 3.945,15 4.067,16 3.702,17 3.381,18 5.449,19 3.349,20 4.093,21 4.266,22 3.572,23 3.346,24 5.357,25 3.291,26 4.076,27 4.278,28 3.433,29 3.149,30 5.49,31 3.127,32 3.852,33 4.07,34 3.215,35 2.984,36 5.172,37 2.955,38 3.778,39 3.952,40 3.119,41 2.934,42 5.174,43 2.908,44 3.65,45 3.801,46 3.194,47 2.872,48 5.442,49 2.84,50 3.492,51 3.668,52 2.952,53 2.842,54 4.708,55 2.747,56 0.182,57 0.478,58 3.765,59 2.368,60 10.093,61 2.357,62 0.36,63 0.713,64 8.045,65 3.702,66 44.578,67 4.024,68 0.37,69 0.728,70 14.196,71 5.159,72 42.665,73 5.262,74 0.524,75 0.646,76 13.209,77 4.184,78 65.936,79 4.799,80 0.348,81 0.533,82 11.426,83 3.622,84 32.407,85 4.409,86 0.398,87 0.486,88 10.767,89 3.343,90 49.514,91 3.043,92 0.441,93 0.428,94 7.307,95 2.845,96 74.048,97 2.95,98 0.249,99 0.4,100 9.142,101 2.986,102 35.286,103 2.728,104 11,105 26,106 0.372,107 0.706,108 0.776,109 0.826,110 0.844,111 0.844,112 3.008,113 0.923,114 -2.83,115 -2.84,116 -2.75,119 37.9,125 1,142 5,143 1,145 1,153 1,159 1,162 1,166 2,172 6,174 1,175 2,178 3,179 1,180 2,183 6,187 1,188 2,193 2,196 3,199 3,200 2,203 2,205 4,213 2,216 2,218 3,224 1,225 3,228 1,230 2,233 1,238 2,239 3,242 2,244 1,247 2,253 3,261 2,266 5,274 1,278 443,279 12.637,280 12.637,281 12.637,282 12.637,283 12.637,284 10.834,285 16.902,286 7.714,287 13.042,288 9.884,289 9.884,290 9.884,291 9.884,292 9.884,293 7.217,294 24.954,295 3.706,296 10.566,297 2.898,298 1.142,299 0.771,300 0.509,301 0.414,302 0.414,303 3.664,307 1,308 1,309 371,310 3.24,313 59.23,314 71.273,321 1.557,322 24.653,325 1,326 1,327 1,328 0.4,330 1,331 1,332 0.77,333 43,334 179,335 4.31,336 3.783,337 6.005,338 3.746,339 2.867,340 4.018,341 2.612,342 8.6,343 2.544,344 3.915,345 3.549,346 5.413,347 3.544,348 2.561,349 3.448,350 1.659,351 7.098,352 2.498,353 3.787,354 2.727,355 5.31,356 3.342,357 2.385,358 3.186,359 0.564,360 6.8,361 2.272,362 3.457,363 2.591,364 4.753,365 2.9,366 1.971,367 2.697,368 0.133,369 5.256,370 1.795,371 2.915,372 1.711,373 3.684,374 2.48,375 1.484,376 2.08,378 3.133,379 1.476,380 2.698,381 1.645,382 3.6,383 2.052,384 1.107,385 1.691,387 2.653,388 1.035,389 2.5,390 1.064,391 3.253,392 2,393 1,394 1.5,396 2.136,397 1,398 2.176,399 1,400 3.247,401 1.525,402 0.662,403 1.001,405 1.611,406 0.552,407 1.784,408 1,409 3.026,410 1.474,411 0.551,412 0.645,414 1.268,415 0.509,416 1,417 0.748,418 2.454,419 0.586,420 -0.348,421 -0.422,423 -0.939,424 -0.319,425 0.997,426 0.374,427 1.825,428 0.396,429 -0.626,430 -0.843,432 -1.375,433 -0.631,434 0.784,435 -0.16,436 1.746,438 -1,439 -1.5,441 -2,442 -1,443 0.5,444 -0.734,445 1.555,447 -1,448 -1.581,450 -2.347,451 -1,452 0.198,453 -0.933,454 1.345,455 -0.209,456 -1.205,457 -1.677,459 -2.958,460 -1.104,461 0.097,462 -1,463 1.097,464 -0.358,465 -1.259,466 -1.877,468 -3.557,469 -1.231,470 8.933,471 0.47,472 0.438,473 0.023,474 27.5,475 1.447,476 15,477 0.789,478 12.5,479 0.658,480 10.616,481 0.559,482 20.467,483 0.706,484 17.661,485 0.93,486 5.592,487 0.294,488 3.556,489 0.187,490 0.112,492 0.269,497 0.529,498 1.154,499 0.67,500 0.805,501 0.518,502 0.801,503 0.407,504 1.103,505 0.79,506 1.085,507 0.425,508 1.031,509 0.807,510 1.261,511 1.076,512 1.343,513 0.772,514 1.21,515 0.889,516 0.876,517 0.767,518 0.893,519 0.994,520 0.997,521 0.693,522 1.058,523 0.733,524 0.891,525 0.61,526 0.868,527 1.39,528 0.827,529 1.285,530 0.963,531 1.408,532 0.974,533 0.735,534 0.858,535 0.823,536 0.765,537 0.726,538 0.911,539 1.15,540 0.822,541 1.48,542 1.037,543 1.01,544 0.908,545 4,546 0.058,547 1.556,548 0.91,549 0.801,550 0.361,551 0.301,552 0.134,553 0.067,554 0.101,555 3519,556 13912,557 1.995,558 34.5,560 7,562 1,563 2,568 1.595,569 1.869,570 3.241,571 0.548,573 1,574 1,575 1,578 56.854,579 1.96,580 3.716,581 4.087,582 4.349,583 4.444,584 4.444,585 2.721,586 3.827,587 4.221,588 3.394,589 580.443,590 7.151,591 6000.06,592 1,593 1,595 1,596 140.881,597 1.384,598 4.178,599 0.2,600 0.007,601 0.06,602 0.041,603 0.042,604 0.021,605 0.02,606 0.009,607 0.006,608 0.01,609 0.416,610 0.5,611 1,612 0.868,613 84.789,614 0.095,615 0.01,616 0.038,617 0.115,618 -0.025,619 0.038,620 0.315,621 0.004,622 0.094,623 -0.082,624 0.21,625 -0.127,626 -0.021,627 -0.28,628 -0.026,629 -0.294,630 -0.044,631 -0.19,632 0.113,633 0.021,634 0.136,635 -0.045,636 -0.012,637 -0.013,638 0.14,639 -0.153,640 0.22,641 0.001,642 0.131,643 0.176,644 -0.277,645 0.13,646 -0.253,647 0.016,648 -0.258,649 -0.027,650 0.393,651 0.081,652 0.109,653 0.165,654 0.469,655 0.023,656 -0.297,657 0.206,658 -0.21,659 0.179,660 -0.189,661 0.143,662 2.551,663 4.539,664 0.579,665 14.576,666 1.038,667 1.131,668 1.601,669 2.563,670 0.701,671 3.045,672 3.296,673 3.434,674 3.584,675 3.638,676 3.526,677 3.466,678 3.367,679 3.332,680 3.367,681 5.721,682 0.69,683 278.32,684 3.045,685 4.533,686 5.323,687 6.151,688 6.959,689 7.789,690 8.605,691 9.434,692 10.254,693 11.084,694 13.8,701 2,704 1,705 1,709 6,710 1,713 1,714 3,716 11,729 1,735 29,737 14,738 1,739 20,741 30,742 11,743 9,744 1,745 5,748 2,749 2,753 1,762 10,763 1,767 3,769 1,772 3,776 1,780 1,783 10,784 6,785 2,786 8,787 1,792 4,796 1,797 3,814 1,815 1,842 2,844 1,850 19,856 1,858 2,866 1,872 10.3,875 1,878 2,879 10.167,880 5.067,881 4.278,882 1.49,884 2.03,885 1.338,886 0.954,887 4.547,888 8.034,889 3.384,890 3.927,891 4.339,892 4.806,893 5.094,894 5.079,895 5.041,896 5.026,897 5.076,898 5.29,899 1,900 22,901 6.956,903 2.9,904 8.289,905 12.579,907 9.636,909 2.789,910 53,914 94.169,915 98.704,916 58.477,918 75.892,920 31.278,921 67.426,922 170.061,923 58.477,924 5.67,925 38.127,926 47.381,927 53.702,928 13.663,929 4.276,930 113.675,931 50.747,932 94.169,933 125.903,934 75.892,935 31.278,937 94.169,938 25.145,939 50.747,941 48.605,942 54.843,943 22.456,944 31.278,945 94.169,946 134.369,947 98.704,950 94.169,951 42.275,952 62.099,953 36.022,954 92.677,955 94.169,956 134.369,957 98.704,959 0.569,960 0.309,961 0.154,962 0.08,963 11,964 5,965 0.133,966 4,968 1,969 3.259,970 124,972 11,973 74.711,975 1,979 13.584,980 6.36,981 4.084,983 128.699,984 10.511,985 3.737,988 0.809,989 1.04,991 36.022,992 327.242,993 28.5,995 -0.551,998 32.456,1002 -0.451,1005 30.116,1006 32.787,1007 0.404,1008 0.765,1009 0.841,1010 0.895,1011 0.915,1012 0.915,1013 4.562,1014 0.662,1015 5.273,1016 2.136,1017 3.97,1018 4.61,1019 2.865,1020 5.964,1021 3.841,1022 5.75,1023 0.551,1024 6.76,1025 1.611,1026 3.434,1027 4.35,1028 2.558,1029 6.613,1030 3.235,1031 7.03,1032 -0.348,1033 8.342,1034 1.268,1035 5.451,1036 6.728,1037 4.307,1038 9.613,1039 5.176,1040 8.343,1041 -0.626,1042 9.976,1043 -0.939,1044 5.707,1045 7.279,1046 4.603,1047 11.068,1048 5.325,1049 9.684,1050 -1,1051 11.645,1052 -1.375,1053 7.185,1054 9.111,1055 6.011,1056 13.541,1057 6.751,1058 11.043,1059 -1,1060 13.337,1061 -2,1062 7.81,1063 10.041,1064 6.597,1065 15.343,1066 7.248,1067 12.418,1068 -1.205,1069 15.044,1070 -2.347,1071 9.05,1072 11.64,1073 7.82,1074 17.614,1075 8.442,1076 2.867,1077 -1.259,1078 16.764,1079 -2.958,1080 9.866,1081 12.768,1082 8.565,1083 19.584,1084 9.119,1085 2.561,1086 8.6,1087 18.493,1088 -3.557,1089 10.994,1090 14.258,1091 9.68,1092 21.775,1093 10.193,1094 2.385,1095 7.098,1096 20.229,1097 4.018,1098 11.91,1099 15.495,1100 10.516,1101 23.829,1102 10.971,1103 1.971,1104 6.8,1105 21.971,1106 3.448,1107 12.986,1108 16.93,1109 11.567,1110 25.988,1111 11.979,1112 1.484,1113 5.256,1114 23.718,1115 3.186,1116 13.958,1117 18.229,1118 12.455,1119 28.086,1120 12.814,1121 1.107,1122 3.133,1123 25.47,1124 2.697,1125 15.01,1126 19.637,1127 13.469,1128 30.233,1129 13.786,1130 1,1131 2.653,1132 27.226,1133 2.08,1134 16.013,1135 20.973,1136 14.387,1137 32.355,1138 14.655,1139 3543,1140 7240,1141 13.118,1142 20.318,1143 29.436,1144 30.554,1145 29.784,1146 29.116,1147 29.175,1148 40.528,1149 9.936,1150 77.109,1151 27.365,1152 5.206,1153 5.783,1154 5.807,1155 4.871,1156 4.867,1157 7.018,1158 4.612,1159 14.506,1160 4.544,1161 9.22,1162 1.472,1163 1.528,1164 1.489,1165 1.456,1166 1.459,1167 2.026,1168 0.497,1169 3.855,1170 1.368,1171 3.954,1172 3.981,1173 4.268,1174 3.862,1175 7.815,1176 3.849,1177 3.899,1178 3.926,1179 3.839,1180 3.821,1181 7.431,1182